Daily Papers

We investigate the challenge of parametrizing policies for reinforcement learning (RL) in high-dimensional continuous action spaces. Our objective is to develop a multimodal policy that overcomes limitations inherent in the commonly-used Gaussian parameterization. To achieve this, we propose a principled framework that models the continuous RL policy as a generative model of optimal trajectories. By conditioning the policy on a latent variable, we derive a novel variational bound as the optimization objective, which promotes exploration of the environment. We then present a practical model-based RL method, called Reparameterized Policy Gradient (RPG), which leverages the multimodal policy parameterization and learned world model to achieve strong exploration capabilities and high data efficiency. Empirical results demonstrate that our method can help agents evade local optima in tasks with dense rewards and solve challenging sparse-reward environments by incorporating an object-centric intrinsic reward. Our method consistently outperforms previous approaches across a range of tasks. Code and supplementary materials are available on the project page https://haosulab.github.io/RPG/

A common technique for aligning large language models (LLMs) relies on acquiring human preferences by comparing multiple generations conditioned on a fixed context. This only leverages the pairwise comparisons when the generations are placed in an identical context. However, such conditional rankings often fail to capture the complex and multidimensional aspects of human preferences. In this work, we revisit the traditional paradigm of preference acquisition and propose a new axis that is based on eliciting preferences jointly over the instruction-response pairs. While prior preference optimizations are designed for conditional ranking protocols (e.g., DPO), our proposed preference acquisition protocol introduces DOVE, a new preference optimization objective that upweights the joint probability of the chosen instruction-response pair over the rejected instruction-response pair. Interestingly, we find that the LLM trained with joint instruction-response preference data using DOVE outperforms the LLM trained with DPO by 5.2% and 3.3% win-rate for the summarization and open-ended dialogue datasets, respectively. Our findings reveal that joint preferences over instruction and response pairs can significantly enhance the alignment of LLMs by tapping into a broader spectrum of human preference elicitation. The data and code is available at https://github.com/Hritikbansal/dove.

Generative models for 3D object synthesis have seen significant advancements with the incorporation of prior knowledge distilled from 2D diffusion models. Nevertheless, challenges persist in the form of multi-view geometric inconsistencies and slow generation speeds within the existing 3D synthesis frameworks. This can be attributed to two factors: firstly, the deficiency of abundant geometric a priori knowledge in optimization, and secondly, the entanglement issue between geometry and texture in conventional 3D generation methods.In response, we introduce MetaDreammer, a two-stage optimization approach that leverages rich 2D and 3D prior knowledge. In the first stage, our emphasis is on optimizing the geometric representation to ensure multi-view consistency and accuracy of 3D objects. In the second stage, we concentrate on fine-tuning the geometry and optimizing the texture, thereby achieving a more refined 3D object. Through leveraging 2D and 3D prior knowledge in two stages, respectively, we effectively mitigate the interdependence between geometry and texture. MetaDreamer establishes clear optimization objectives for each stage, resulting in significant time savings in the 3D generation process. Ultimately, MetaDreamer can generate high-quality 3D objects based on textual prompts within 20 minutes, and to the best of our knowledge, it is the most efficient text-to-3D generation method. Furthermore, we introduce image control into the process, enhancing the controllability of 3D generation. Extensive empirical evidence confirms that our method is not only highly efficient but also achieves a quality level that is at the forefront of current state-of-the-art 3D generation techniques.

As Large Language Models (LLMs) continue to progress toward more advanced forms of intelligence, Reinforcement Learning from Human Feedback (RLHF) is increasingly seen as a key pathway toward achieving Artificial General Intelligence (AGI). However, the reliance on reward-model-based (RM-based) alignment methods introduces significant challenges due to the inherent instability and imperfections of Reward Models (RMs), which can lead to critical issues such as reward hacking and misalignment with human intentions. In this paper, we introduce a reward-robust RLHF framework aimed at addressing these fundamental challenges, paving the way for more reliable and resilient learning in LLMs. Our approach introduces a novel optimization objective that carefully balances performance and robustness by incorporating Bayesian Reward Model Ensembles (BRME) to model the uncertainty set of reward functions. This allows the framework to integrate both nominal performance and minimum reward signals, ensuring more stable learning even with imperfect reward models. Empirical results demonstrate that our framework consistently outperforms traditional RLHF across diverse benchmarks, showing improved accuracy and long-term stability. We also provide a theoretical analysis, demonstrating that reward-robust RLHF approaches the stability of constant reward settings, which proves to be effective in a stochastic-case analysis. Together, these contributions highlight the framework potential to enhance both the performance and stability of LLM alignment with RLHF.

Multi-task learning (MTL) compresses the information from multiple tasks into a unified backbone to improve computational efficiency and generalization. Recent work directly merges multiple independently trained models to perform MTL instead of collecting their raw data for joint training, greatly expanding the application scenarios of MTL. However, by visualizing the representation distribution of existing model merging schemes, we find that the merged model often suffers from the dilemma of representation bias. That is, there is a significant discrepancy in the representation distribution between the merged and individual models, resulting in poor performance of merged MTL. In this paper, we propose a representation surgery solution called "Surgery" to reduce representation bias in the merged model. Specifically, Surgery is a lightweight task-specific module that takes the representation of the merged model as input and attempts to output the biases contained in the representation from the merged model. We then designed an unsupervised optimization objective that updates the Surgery module by minimizing the distance between the merged model's representation and the individual model's representation. Extensive experiments demonstrate significant MTL performance improvements when our Surgery module is applied to state-of-the-art (SOTA) model merging schemes.

Navigating drones through natural language commands remains challenging due to the dearth of accessible multi-modal datasets and the stringent precision requirements for aligning visual and textual data. To address this pressing need, we introduce GeoText-1652, a new natural language-guided geo-localization benchmark. This dataset is systematically constructed through an interactive human-computer process leveraging Large Language Model (LLM) driven annotation techniques in conjunction with pre-trained vision models. GeoText-1652 extends the established University-1652 image dataset with spatial-aware text annotations, thereby establishing one-to-one correspondences between image, text, and bounding box elements. We further introduce a new optimization objective to leverage fine-grained spatial associations, called blending spatial matching, for region-level spatial relation matching. Extensive experiments reveal that our approach maintains a competitive recall rate comparing other prevailing cross-modality methods. This underscores the promising potential of our approach in elevating drone control and navigation through the seamless integration of natural language commands in real-world scenarios.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

Data mixing augmentation has been widely applied to improve the generalization ability of deep neural networks. Recently, offline data mixing augmentation, e.g. handcrafted and saliency information-based mixup, has been gradually replaced by automatic mixing approaches. Through minimizing two sub-tasks, namely, mixed sample generation and mixup classification in an end-to-end way, AutoMix significantly improves accuracy on image classification tasks. However, as the optimization objective is consistent for the two sub-tasks, this approach is prone to generating consistent instead of diverse mixed samples, which results in overfitting for target task training. In this paper, we propose AdAutomixup, an adversarial automatic mixup augmentation approach that generates challenging samples to train a robust classifier for image classification, by alternatively optimizing the classifier and the mixup sample generator. AdAutomixup comprises two modules, a mixed example generator, and a target classifier. The mixed sample generator aims to produce hard mixed examples to challenge the target classifier, while the target classifier's aim is to learn robust features from hard mixed examples to improve generalization. To prevent the collapse of the inherent meanings of images, we further introduce an exponential moving average (EMA) teacher and cosine similarity to train AdAutomixup in an end-to-end way. Extensive experiments on seven image benchmarks consistently prove that our approach outperforms the state of the art in various classification scenarios. The source code is available at https://github.com/JinXins/Adversarial-AutoMixup.

Model editing is a growing area focused on updating the knowledge embedded within models. Among the various methodologies, ROME and MEMIT stand out as leading "locate-and-edit" model editing techniques. While MEMIT enables batched editing of memories, ROME is limited to changing one fact at a time. This paper introduces a unifying framework that brings ROME and MEMIT under a single conceptual umbrella, optimizing for the same goal, which we call the "preservation-memorization" objective. This objective aims to preserve the representations of certain selected vectors while memorizing the representations of new factual information. Specifically, ROME optimizes this objective using an equality constraint, whereas MEMIT employs a more flexible least-square constraint. In addition to making batched edits, MEMIT also edits the model at multiple layers. We disentangle the distribution of edits to multiple layers from the optimization objective of MEMIT and show that these edit-distribution algorithms should be considered separate entities worthy of their own line of research. Finally, we present EMMET - an Equality-constrained Mass Model Editing algorithm for Transformers, a new batched memory-editing algorithm. With EMMET, we present a closed form solution for the equality-constrained version of the preservation-memorization objective. We show that EMMET is able to perform batched-edits on par with MEMIT up to a batch-size of 256 and discuss the challenges in stabilizing EMMET. By articulating the "locate-and-edit" model editing algorithms under a simple conceptual framework of "preservation-memorization", we aim to bridge the gap between intuition and mathematics and hope to simplify the journey for future researchers in model editing.

The Composed Image Retrieval (CIR) task aims to retrieve target images using a composed query consisting of a reference image and a modified text. Advanced methods often utilize contrastive learning as the optimization objective, which benefits from adequate positive and negative examples. However, the triplet for CIR incurs high manual annotation costs, resulting in limited positive examples. Furthermore, existing methods commonly use in-batch negative sampling, which reduces the negative number available for the model. To address the problem of lack of positives, we propose a data generation method by leveraging a multi-modal large language model to construct triplets for CIR. To introduce more negatives during fine-tuning, we design a two-stage fine-tuning framework for CIR, whose second stage introduces plenty of static representations of negatives to optimize the representation space rapidly. The above two improvements can be effectively stacked and designed to be plug-and-play, easily applied to existing CIR models without changing their original architectures. Extensive experiments and ablation analysis demonstrate that our method effectively scales positives and negatives and achieves state-of-the-art results on both FashionIQ and CIRR datasets. In addition, our method also performs well in zero-shot composed image retrieval, providing a new CIR solution for the low-resources scenario. Our code and data are released at https://github.com/BUAADreamer/SPN4CIR.

Domain adaptive semantic segmentation attempts to make satisfactory dense predictions on an unlabeled target domain by utilizing the supervised model trained on a labeled source domain. In this work, we propose Semantic-Guided Pixel Contrast (SePiCo), a novel one-stage adaptation framework that highlights the semantic concepts of individual pixels to promote learning of class-discriminative and class-balanced pixel representations across domains, eventually boosting the performance of self-training methods. Specifically, to explore proper semantic concepts, we first investigate a centroid-aware pixel contrast that employs the category centroids of the entire source domain or a single source image to guide the learning of discriminative features. Considering the possible lack of category diversity in semantic concepts, we then blaze a trail of distributional perspective to involve a sufficient quantity of instances, namely distribution-aware pixel contrast, in which we approximate the true distribution of each semantic category from the statistics of labeled source data. Moreover, such an optimization objective can derive a closed-form upper bound by implicitly involving an infinite number of (dis)similar pairs, making it computationally efficient. Extensive experiments show that SePiCo not only helps stabilize training but also yields discriminative representations, making significant progress on both synthetic-to-real and daytime-to-nighttime adaptation scenarios.

Models of various NLP tasks have been shown to exhibit stereotypes, and the bias in the question answering (QA) models is especially harmful as the output answers might be directly consumed by the end users. There have been datasets to evaluate bias in QA models, while bias mitigation technique for the QA models is still under-explored. In this work, we propose BMBI, an approach to mitigate the bias of multiple-choice QA models. Based on the intuition that a model would lean to be more biased if it learns from a biased example, we measure the bias level of a query instance by observing its influence on another instance. If the influenced instance is more biased, we derive that the query instance is biased. We then use the bias level detected as an optimization objective to form a multi-task learning setting in addition to the original QA task. We further introduce a new bias evaluation metric to quantify bias in a comprehensive and sensitive way. We show that our method could be applied to multiple QA formulations across multiple bias categories. It can significantly reduce the bias level in all 9 bias categories in the BBQ dataset while maintaining comparable QA accuracy.

In large multimodal models (LMMs), the perception of non-language modalities (e.g., visual representations) is usually not on par with the large language models (LLMs)' powerful reasoning capabilities, deterring LMMs' performance on challenging downstream tasks. This weakness has been recently mitigated by replacing the vision encoder with a mixture-of-experts (MoE), which provides rich, multi-granularity, and diverse representations required by diverse downstream tasks. The performance of multimodal MoE largely depends on its router, which reweights and mixes the representations of different experts for each input. However, we find that the end-to-end trained router does not always produce the optimal routing weights for every test sample. To bridge the gap, we propose a novel and efficient method "Re-Routing in Test-Time(R2-T2) that locally optimizes the vector of routing weights in test-time by moving it toward those vectors of the correctly predicted samples in a neighborhood of the test sample. We propose three R2-T2 strategies with different optimization objectives and neighbor-search spaces. R2-T2 consistently and greatly improves state-of-the-art LMMs' performance on challenging benchmarks of diverse tasks, without training any base-model parameters.

Inference-time techniques are emerging as highly effective tools to enhance large language model (LLM) capabilities. However, best practices for developing systems that combine these techniques remain underdeveloped due to our limited understanding of the utility of individual inference-time techniques and the interactions between them. Additionally, efficiently and automatically searching the space of model choices, inference-time techniques, and their compositions is challenging due to the large design space. To address these challenges, we introduce Archon, a modular framework for selecting, combining, and stacking layers of inference-time techniques to construct optimized LLM systems for target benchmarks. Rather than relying on a single LLM called once, we leverage a diverse set of LLMs and inference-time techniques, creating LLM systems greater than the sum of their parts. Archon defines an extensible design space, encompassing techniques such as generation ensembling, repeated sampling, ranking, fusion, critiquing, verification, and unit testing. It transforms the problem of building LLM systems into a hyperparameter optimization objective. Given the available LLMs, inference-time techniques, and compute budget, Archon utilizes hyperparameter search techniques to discover optimized architectures for target benchmark(s). We evaluate Archon architectures across a range of instruction-following, reasoning, and coding benchmarks, including MT-Bench, Arena-Hard-Auto, AlpacaEval 2.0, MixEval, MixEval Hard, MATH, and CodeContests. Archon architectures outperform frontier models, such as GPT-4o and Claude 3.5 Sonnet, on these benchmarks, achieving an average accuracy increase of 15.1 percentage points by using all available LLMs. We make our code and datasets available publicly on Github: https://github.com/ScalingIntelligence/Archon.

Texture editing is a crucial task in 3D modeling that allows users to automatically manipulate the surface materials of 3D models. However, the inherent complexity of 3D models and the ambiguous text description lead to the challenge in this task. To address this challenge, we propose ITEM3D, an illumination-aware model for automatic 3D object editing according to the text prompts. Leveraging the diffusion models and the differentiable rendering, ITEM3D takes the rendered images as the bridge of text and 3D representation, and further optimizes the disentangled texture and environment map. Previous methods adopt the absolute editing direction namely score distillation sampling (SDS) as the optimization objective, which unfortunately results in the noisy appearance and text inconsistency. To solve the problem caused by the ambiguous text, we introduce a relative editing direction, an optimization objective defined by the noise difference between the source and target texts, to release the semantic ambiguity between the texts and images. Additionally, we gradually adjust the direction during optimization to further address the unexpected deviation in the texture domain. Qualitative and quantitative experiments show that our ITEM3D outperforms the state-of-the-art methods on various 3D objects. We also perform text-guided relighting to show explicit control over lighting.

Preference Optimization (PO) has proven an effective step for aligning language models to human-desired behaviors. Current variants, following the offline Direct Preference Optimization objective, have focused on a strict setting where all tokens are contributing signals of KL divergence and rewards to the loss function. However, human preference is not affected by each word in a sequence equally but is often dependent on specific words or phrases, e.g. existence of toxic terms leads to non-preferred responses. Based on this observation, we argue that not all tokens should be weighted equally during PO and propose a flexible objective termed SparsePO, that aims to automatically learn to weight the KL divergence and reward corresponding to each token during PO training. We propose two different variants of weight-masks that can either be derived from the reference model itself or learned on the fly. Notably, our method induces sparsity in the learned masks, allowing the model to learn how to best weight reward and KL divergence contributions at the token level, learning an optimal level of mask sparsity. Extensive experiments on multiple domains, including sentiment control, dialogue, text summarization and text-to-code generation, illustrate that our approach assigns meaningful weights to tokens according to the target task, generates more responses with the desired preference and improves reasoning tasks by up to 2 percentage points compared to other token- and response-level PO methods.

Over the past years, YOLOs have emerged as the predominant paradigm in the field of real-time object detection owing to their effective balance between computational cost and detection performance. Researchers have explored the architectural designs, optimization objectives, data augmentation strategies, and others for YOLOs, achieving notable progress. However, the reliance on the non-maximum suppression (NMS) for post-processing hampers the end-to-end deployment of YOLOs and adversely impacts the inference latency. Besides, the design of various components in YOLOs lacks the comprehensive and thorough inspection, resulting in noticeable computational redundancy and limiting the model's capability. It renders the suboptimal efficiency, along with considerable potential for performance improvements. In this work, we aim to further advance the performance-efficiency boundary of YOLOs from both the post-processing and model architecture. To this end, we first present the consistent dual assignments for NMS-free training of YOLOs, which brings competitive performance and low inference latency simultaneously. Moreover, we introduce the holistic efficiency-accuracy driven model design strategy for YOLOs. We comprehensively optimize various components of YOLOs from both efficiency and accuracy perspectives, which greatly reduces the computational overhead and enhances the capability. The outcome of our effort is a new generation of YOLO series for real-time end-to-end object detection, dubbed YOLOv10. Extensive experiments show that YOLOv10 achieves state-of-the-art performance and efficiency across various model scales. For example, our YOLOv10-S is 1.8times faster than RT-DETR-R18 under the similar AP on COCO, meanwhile enjoying 2.8times smaller number of parameters and FLOPs. Compared with YOLOv9-C, YOLOv10-B has 46\% less latency and 25\% fewer parameters for the same performance.

Despite advances in 3D generation, the direct creation of 3D objects within an existing 3D scene represented as NeRF remains underexplored. This process requires not only high-quality 3D object generation but also seamless composition of the generated 3D content into the existing NeRF. To this end, we propose a new method, GO-NeRF, capable of utilizing scene context for high-quality and harmonious 3D object generation within an existing NeRF. Our method employs a compositional rendering formulation that allows the generated 3D objects to be seamlessly composited into the scene utilizing learned 3D-aware opacity maps without introducing unintended scene modification. Moreover, we also develop tailored optimization objectives and training strategies to enhance the model's ability to exploit scene context and mitigate artifacts, such as floaters, originating from 3D object generation within a scene. Extensive experiments on both feed-forward and 360^o scenes show the superior performance of our proposed GO-NeRF in generating objects harmoniously composited with surrounding scenes and synthesizing high-quality novel view images. Project page at {https://daipengwa.github.io/GO-NeRF/.

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

Kullback-Leiber divergence has been widely used in Knowledge Distillation (KD) to compress Large Language Models (LLMs). Contrary to prior assertions that reverse Kullback-Leibler (RKL) divergence is mode-seeking and thus preferable over the mean-seeking forward Kullback-Leibler (FKL) divergence, this study empirically and theoretically demonstrates that neither mode-seeking nor mean-seeking properties manifest in KD for LLMs. Instead, RKL and FKL are found to share the same optimization objective and both converge after a sufficient number of epochs. However, due to practical constraints, LLMs are seldom trained for such an extensive number of epochs. Meanwhile, we further find that RKL focuses on the tail part of the distributions, while FKL focuses on the head part at the beginning epochs. Consequently, we propose a simple yet effective Adaptive Kullback-Leiber (AKL) divergence method, which adaptively allocates weights to combine FKL and RKL. Metric-based and GPT-4-based evaluations demonstrate that the proposed AKL outperforms the baselines across various tasks and improves the diversity and quality of generated responses.

Model inversion (MI) attacks aim to infer and reconstruct private training data by abusing access to a model. MI attacks have raised concerns about the leaking of sensitive information (e.g. private face images used in training a face recognition system). Recently, several algorithms for MI have been proposed to improve the attack performance. In this work, we revisit MI, study two fundamental issues pertaining to all state-of-the-art (SOTA) MI algorithms, and propose solutions to these issues which lead to a significant boost in attack performance for all SOTA MI. In particular, our contributions are two-fold: 1) We analyze the optimization objective of SOTA MI algorithms, argue that the objective is sub-optimal for achieving MI, and propose an improved optimization objective that boosts attack performance significantly. 2) We analyze "MI overfitting", show that it would prevent reconstructed images from learning semantics of training data, and propose a novel "model augmentation" idea to overcome this issue. Our proposed solutions are simple and improve all SOTA MI attack accuracy significantly. E.g., in the standard CelebA benchmark, our solutions improve accuracy by 11.8% and achieve for the first time over 90% attack accuracy. Our findings demonstrate that there is a clear risk of leaking sensitive information from deep learning models. We urge serious consideration to be given to the privacy implications. Our code, demo, and models are available at https://ngoc-nguyen-0.github.io/re-thinking_model_inversion_attacks/

Although Deep Neural Networks (DNNs) have demonstrated excellent performance, they are vulnerable to adversarial patches that introduce perceptible and localized perturbations to the input. Generating adversarial patches on images has received much attention, while adversarial patches on videos have not been well investigated. Further, decision-based attacks, where attackers only access the predicted hard labels by querying threat models, have not been well explored on video models either, even if they are practical in real-world video recognition scenes. The absence of such studies leads to a huge gap in the robustness assessment for video models. To bridge this gap, this work first explores decision-based patch attacks on video models. We analyze that the huge parameter space brought by videos and the minimal information returned by decision-based models both greatly increase the attack difficulty and query burden. To achieve a query-efficient attack, we propose a spatial-temporal differential evolution (STDE) framework. First, STDE introduces target videos as patch textures and only adds patches on keyframes that are adaptively selected by temporal difference. Second, STDE takes minimizing the patch area as the optimization objective and adopts spatialtemporal mutation and crossover to search for the global optimum without falling into the local optimum. Experiments show STDE has demonstrated state-of-the-art performance in terms of threat, efficiency and imperceptibility. Hence, STDE has the potential to be a powerful tool for evaluating the robustness of video recognition models.

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination of two optimization objectives, we propose a novel semantic graph representation (SGR) method to formulate the joint optimization of the two heterogeneous sources into a common high-order proximity based framework. Concretely, we first construct an auxiliary weighted graph, where the complex homogeneous and heterogeneous relations among nodes and attributes in the original graph are comprehensively encoded. Conventional embedding methods that consider high-order topology proximities can then be easily applied to the newly constructed graph to learn the representations of both node and attribute while capturing the nonlinear high-order intrinsic correlation inside or among graph structure and semantic. The learned attribute embeddings can also effectively support some semantic-oriented inference tasks (e.g., semantic community detection), helping to reveal the graph's deep semantic. The effectiveness of SGR is further verified on a series of real graphs, where it achieves impressive performance over other baselines.

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations. Our code is available at http://github.com/zoom-wang112358/MOLLEO

Developing a versatile deep neural network to model music audio is crucial in MIR. This task is challenging due to the intricate spectral variations inherent in music signals, which convey melody, harmonics, and timbres of diverse instruments. In this paper, we introduce Mel-RoFormer, a spectrogram-based model featuring two key designs: a novel Mel-band Projection module at the front-end to enhance the model's capability to capture informative features across multiple frequency bands, and interleaved RoPE Transformers to explicitly model the frequency and time dimensions as two separate sequences. We apply Mel-RoFormer to tackle two essential MIR tasks: vocal separation and vocal melody transcription, aimed at isolating singing voices from audio mixtures and transcribing their lead melodies, respectively. Despite their shared focus on singing signals, these tasks possess distinct optimization objectives. Instead of training a unified model, we adopt a two-step approach. Initially, we train a vocal separation model, which subsequently serves as a foundation model for fine-tuning for vocal melody transcription. Through extensive experiments conducted on benchmark datasets, we showcase that our models achieve state-of-the-art performance in both vocal separation and melody transcription tasks, underscoring the efficacy and versatility of Mel-RoFormer in modeling complex music audio signals.

Deep learning is widely used in wireless communications but struggles with fixed neural network sizes, which limit their adaptability in environments where the number of users and antennas varies. To overcome this, this paper introduced a generalization strategy for precoding and power allocation in scalable wireless networks. Initially, we employ an innovative approach to abstract the wireless network into a homogeneous graph. This primarily focuses on bypassing the heterogeneous features between transmitter (TX) and user entities to construct a virtual homogeneous graph serving optimization objectives, thereby enabling all nodes in the virtual graph to share the same neural network. This "TX entity" is known as a base station (BS) in cellular networks and an access point (AP) in cell-free networks. Subsequently, we design a universal graph neural network, termed the information carrying graph neural network (ICGNN), to capture and integrate information from this graph, maintaining permutation invariance. Lastly, using ICGNN as the core algorithm, we tailor the neural network's input and output for specific problem requirements and validate its performance in two scenarios: 1) in cellular networks, we develop a matrix-inverse-free multi-user multi-input multi-output (MU-MIMO) precoding scheme using the conjugate gradient (CG) method, adaptable to varying user and antenna numbers; 2) in a cell-free network, facing dynamic variations in the number of users served by APs, the number of APs serving each user, and the number of antennas per AP, we propose a universal power allocation scheme. Simulations demonstrate that the proposed approach not only significantly reduces computational complexity but also achieves, and potentially exceeds, the spectral efficiency (SE) of conventional algorithms.

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

Building systems that are good for society in the face of complex societal effects requires a dynamic approach. Recent approaches to machine learning (ML) documentation have demonstrated the promise of discursive frameworks for deliberation about these complexities. However, these developments have been grounded in a static ML paradigm, leaving the role of feedback and post-deployment performance unexamined. Meanwhile, recent work in reinforcement learning has shown that the effects of feedback and optimization objectives on system behavior can be wide-ranging and unpredictable. In this paper we sketch a framework for documenting deployed and iteratively updated learning systems, which we call Reward Reports. Taking inspiration from various contributions to the technical literature on reinforcement learning, we outline Reward Reports as living documents that track updates to design choices and assumptions behind what a particular automated system is optimizing for. They are intended to track dynamic phenomena arising from system deployment, rather than merely static properties of models or data. After presenting the elements of a Reward Report, we discuss a concrete example: Meta's BlenderBot 3 chatbot. Several others for game-playing (DeepMind's MuZero), content recommendation (MovieLens), and traffic control (Project Flow) are included in the appendix.

Modern machine learning (ML) systems demand substantial training data, often resorting to external sources. Nevertheless, this practice renders them vulnerable to backdoor poisoning attacks. Prior backdoor defense strategies have primarily focused on the identification of backdoored models or poisoned data characteristics, typically operating under the assumption of access to clean data. In this work, we delve into a relatively underexplored challenge: the automatic identification of backdoor data within a poisoned dataset, all under realistic conditions, i.e., without the need for additional clean data or without manually defining a threshold for backdoor detection. We draw an inspiration from the scaled prediction consistency (SPC) technique, which exploits the prediction invariance of poisoned data to an input scaling factor. Based on this, we pose the backdoor data identification problem as a hierarchical data splitting optimization problem, leveraging a novel SPC-based loss function as the primary optimization objective. Our innovation unfolds in several key aspects. First, we revisit the vanilla SPC method, unveiling its limitations in addressing the proposed backdoor identification problem. Subsequently, we develop a bi-level optimization-based approach to precisely identify backdoor data by minimizing the advanced SPC loss. Finally, we demonstrate the efficacy of our proposal against a spectrum of backdoor attacks, encompassing basic label-corrupted attacks as well as more sophisticated clean-label attacks, evaluated across various benchmark datasets. Experiment results show that our approach often surpasses the performance of current baselines in identifying backdoor data points, resulting in about 4%-36% improvement in average AUROC. Codes are available at https://github.com/OPTML-Group/BackdoorMSPC.

High-quality text embedding is pivotal in improving semantic textual similarity (STS) tasks, which are crucial components in Large Language Model (LLM) applications. However, a common challenge existing text embedding models face is the problem of vanishing gradients, primarily due to their reliance on the cosine function in the optimization objective, which has saturation zones. To address this issue, this paper proposes a novel angle-optimized text embedding model called AnglE. The core idea of AnglE is to introduce angle optimization in a complex space. This novel approach effectively mitigates the adverse effects of the saturation zone in the cosine function, which can impede gradient and hinder optimization processes. To set up a comprehensive STS evaluation, we experimented on existing short-text STS datasets and a newly collected long-text STS dataset from GitHub Issues. Furthermore, we examine domain-specific STS scenarios with limited labeled data and explore how AnglE works with LLM-annotated data. Extensive experiments were conducted on various tasks including short-text STS, long-text STS, and domain-specific STS tasks. The results show that AnglE outperforms the state-of-the-art (SOTA) STS models that ignore the cosine saturation zone. These findings demonstrate the ability of AnglE to generate high-quality text embeddings and the usefulness of angle optimization in STS.

In this paper, we introduce an SE(3) diffusion model-based point cloud registration framework for 6D object pose estimation in real-world scenarios. Our approach formulates the 3D registration task as a denoising diffusion process, which progressively refines the pose of the source point cloud to obtain a precise alignment with the model point cloud. Training our framework involves two operations: An SE(3) diffusion process and an SE(3) reverse process. The SE(3) diffusion process gradually perturbs the optimal rigid transformation of a pair of point clouds by continuously injecting noise (perturbation transformation). By contrast, the SE(3) reverse process focuses on learning a denoising network that refines the noisy transformation step-by-step, bringing it closer to the optimal transformation for accurate pose estimation. Unlike standard diffusion models used in linear Euclidean spaces, our diffusion model operates on the SE(3) manifold. This requires exploiting the linear Lie algebra se(3) associated with SE(3) to constrain the transformation transitions during the diffusion and reverse processes. Additionally, to effectively train our denoising network, we derive a registration-specific variational lower bound as the optimization objective for model learning. Furthermore, we show that our denoising network can be constructed with a surrogate registration model, making our approach applicable to different deep registration networks. Extensive experiments demonstrate that our diffusion registration framework presents outstanding pose estimation performance on the real-world TUD-L, LINEMOD, and Occluded-LINEMOD datasets.

RLHF techniques like DPO can significantly improve the generation quality of text-to-image diffusion models. However, these methods optimize for a single reward that aligns model generation with population-level preferences, neglecting the nuances of individual users' beliefs or values. This lack of personalization limits the efficacy of these models. To bridge this gap, we introduce PPD, a multi-reward optimization objective that aligns diffusion models with personalized preferences. With PPD, a diffusion model learns the individual preferences of a population of users in a few-shot way, enabling generalization to unseen users. Specifically, our approach (1) leverages a vision-language model (VLM) to extract personal preference embeddings from a small set of pairwise preference examples, and then (2) incorporates the embeddings into diffusion models through cross attention. Conditioning on user embeddings, the text-to-image models are fine-tuned with the DPO objective, simultaneously optimizing for alignment with the preferences of multiple users. Empirical results demonstrate that our method effectively optimizes for multiple reward functions and can interpolate between them during inference. In real-world user scenarios, with as few as four preference examples from a new user, our approach achieves an average win rate of 76\% over Stable Cascade, generating images that more accurately reflect specific user preferences.

Recent years have witnessed the prevailing progress of Generative Adversarial Networks (GANs) in image-to-image translation. However, the success of these GAN models hinges on ponderous computational costs and labor-expensive training data. Current efficient GAN learning techniques often fall into two orthogonal aspects: i) model slimming via reduced calculation costs; ii)data/label-efficient learning with fewer training data/labels. To combine the best of both worlds, we propose a new learning paradigm, Unified GAN Compression (UGC), with a unified optimization objective to seamlessly prompt the synergy of model-efficient and label-efficient learning. UGC sets up semi-supervised-driven network architecture search and adaptive online semi-supervised distillation stages sequentially, which formulates a heterogeneous mutual learning scheme to obtain an architecture-flexible, label-efficient, and performance-excellent model.

Model evolution and constant availability of data are two common phenomena in large-scale real-world machine learning applications, e.g. ads and recommendation systems. To adapt, the real-world system typically retrain with all available data and online learn with recently available data to update the models periodically with the goal of better serving performance. In this paper, we propose a novel framework, named Confidence Ranking, which designs the optimization objective as a ranking function with two different models. Our confidence ranking loss allows direct optimization of the logits output for different convex surrogate functions of metrics, e.g. AUC and Accuracy depending on the target task and dataset. Armed with our proposed methods, our experiments show that the introduction of confidence ranking loss can outperform all baselines on the CTR prediction tasks of public and industrial datasets. This framework has been deployed in the advertisement system of JD.com to serve the main traffic in the fine-rank stage.

Learning-based outlier (mismatched correspondence) rejection for robust 3D registration generally formulates the outlier removal as an inlier/outlier classification problem. The core for this to be successful is to learn the discriminative inlier/outlier feature representations. In this paper, we develop a novel variational non-local network-based outlier rejection framework for robust alignment. By reformulating the non-local feature learning with variational Bayesian inference, the Bayesian-driven long-range dependencies can be modeled to aggregate discriminative geometric context information for inlier/outlier distinction. Specifically, to achieve such Bayesian-driven contextual dependencies, each query/key/value component in our non-local network predicts a prior feature distribution and a posterior one. Embedded with the inlier/outlier label, the posterior feature distribution is label-dependent and discriminative. Thus, pushing the prior to be close to the discriminative posterior in the training step enables the features sampled from this prior at test time to model high-quality long-range dependencies. Notably, to achieve effective posterior feature guidance, a specific probabilistic graphical model is designed over our non-local model, which lets us derive a variational low bound as our optimization objective for model training. Finally, we propose a voting-based inlier searching strategy to cluster the high-quality hypothetical inliers for transformation estimation. Extensive experiments on 3DMatch, 3DLoMatch, and KITTI datasets verify the effectiveness of our method.

Reinforcement learning from human feedback (RLHF) is a standard approach for fine-tuning large language models to follow instructions. As part of this process, learned reward models are used to approximately model human preferences. However, as imperfect representations of the "true" reward, these learned reward models are susceptible to overoptimization. Gao et al. (2023) studied this phenomenon in a synthetic human feedback setup with a significantly larger "gold" reward model acting as the true reward (instead of humans) and showed that overoptimization remains a persistent problem regardless of the size of the proxy reward model and training data used. Using a similar setup, we conduct a systematic study to evaluate the efficacy of using ensemble-based conservative optimization objectives, specifically worst-case optimization (WCO) and uncertainty-weighted optimization (UWO), for mitigating reward model overoptimization when using two optimization methods: (a) best-of-n sampling (BoN) (b) proximal policy optimization (PPO). We additionally extend the setup of Gao et al. (2023) to include 25% label noise to better mirror real-world conditions. Both with and without label noise, we find that conservative optimization practically eliminates overoptimization and improves performance by up to 70% for BoN sampling. For PPO, ensemble-based conservative optimization always reduces overoptimization and outperforms single reward model optimization. Moreover, combining it with a small KL penalty successfully prevents overoptimization at no performance cost. Overall, our results demonstrate that ensemble-based conservative optimization can effectively counter overoptimization.

Adversarial training is exploited to develop a robust Deep Neural Network (DNN) model against the malicious altered data. These attacks may have catastrophic effects on DNN models but are indistinguishable for a human being. For example, an external attack can modify an image adding noises invisible for a human eye, but a DNN model misclassified the image. A key objective for developing robust DNN models is to use a learning algorithm that is fast but can also give model that is robust against different types of adversarial attacks. Especially for adversarial training, enormously long training times are needed for obtaining high accuracy under many different types of adversarial samples generated using different adversarial attack techniques. This paper aims at accelerating the adversarial training to enable fast development of robust DNN models against adversarial attacks. The general method for improving the training performance is the hyperparameters fine-tuning, where the learning rate is one of the most crucial hyperparameters. By modifying its shape (the value over time) and value during the training, we can obtain a model robust to adversarial attacks faster than standard training. First, we conduct experiments on two different datasets (CIFAR10, CIFAR100), exploring various techniques. Then, this analysis is leveraged to develop a novel fast training methodology, AccelAT, which automatically adjusts the learning rate for different epochs based on the accuracy gradient. The experiments show comparable results with the related works, and in several experiments, the adversarial training of DNNs using our AccelAT framework is conducted up to 2 times faster than the existing techniques. Thus, our findings boost the speed of adversarial training in an era in which security and performance are fundamental optimization objectives in DNN-based applications.

Transformers have become the de-facto standard model in artificial intelligence since 2017 despite numerous shortcomings ranging from energy inefficiency to hallucinations. Research has made a lot of progress in improving elements of transformers, and, more generally, deep learning manifesting in many proposals for architectures, layers, optimization objectives, and optimization techniques. For researchers it is difficult to keep track of such developments on a broader level. We provide a comprehensive overview of the many important, recent works in these areas to those who already have a basic understanding of deep learning. Our focus differs from other works, as we target specifically novel, alternative potentially disruptive approaches to transformers as well as successful ideas of recent deep learning. We hope that such a holistic and unified treatment of influential, recent works and novel ideas helps researchers to form new connections between diverse areas of deep learning. We identify and discuss multiple patterns that summarize the key strategies for successful innovations over the last decade as well as works that can be seen as rising stars. Especially, we discuss attempts on how to improve on transformers covering (partially) proven methods such as state space models but also including far-out ideas in deep learning that seem promising despite not achieving state-of-the-art results. We also cover a discussion on recent state-of-the-art models such as OpenAI's GPT series and Meta's LLama models and, Google's Gemini model family.

Continual Learning (CL) focuses on learning from dynamic and changing data distributions while retaining previously acquired knowledge. Various methods have been developed to address the challenge of catastrophic forgetting, including regularization-based, Bayesian-based, and memory-replay-based techniques. However, these methods lack a unified framework and common terminology for describing their approaches. This research aims to bridge this gap by introducing a comprehensive and overarching framework that encompasses and reconciles these existing methodologies. Notably, this new framework is capable of encompassing established CL approaches as special instances within a unified and general optimization objective. An intriguing finding is that despite their diverse origins, these methods share common mathematical structures. This observation highlights the compatibility of these seemingly distinct techniques, revealing their interconnectedness through a shared underlying optimization objective. Moreover, the proposed general framework introduces an innovative concept called refresh learning, specifically designed to enhance the CL performance. This novel approach draws inspiration from neuroscience, where the human brain often sheds outdated information to improve the retention of crucial knowledge and facilitate the acquisition of new information. In essence, refresh learning operates by initially unlearning current data and subsequently relearning it. It serves as a versatile plug-in that seamlessly integrates with existing CL methods, offering an adaptable and effective enhancement to the learning process. Extensive experiments on CL benchmarks and theoretical analysis demonstrate the effectiveness of the proposed refresh learning. Code is available at https://github.com/joey-wang123/CL-refresh-learning.

The ability to learn good representations of states is essential for solving large reinforcement learning problems, where exploration, generalization, and transfer are particularly challenging. The Laplacian representation is a promising approach to address these problems by inducing intrinsic rewards for temporally-extended action discovery and reward shaping, and informative state encoding. To obtain the Laplacian representation one needs to compute the eigensystem of the graph Laplacian, which is often approximated through optimization objectives compatible with deep learning approaches. These approximations, however, depend on hyperparameters that are impossible to tune efficiently, converge to arbitrary rotations of the desired eigenvectors, and are unable to accurately recover the corresponding eigenvalues. In this paper we introduce a theoretically sound objective and corresponding optimization algorithm for approximating the Laplacian representation. Our approach naturally recovers both the true eigenvectors and eigenvalues while eliminating the hyperparameter dependence of previous approximations. We provide theoretical guarantees for our method and we show that those results translate empirically into robust learning across multiple environments.

This work proposes a unified framework called UniPose to detect keypoints of any articulated (e.g., human and animal), rigid, and soft objects via visual or textual prompts for fine-grained vision understanding and manipulation. Keypoint is a structure-aware, pixel-level, and compact representation of any object, especially articulated objects. Existing fine-grained promptable tasks mainly focus on object instance detection and segmentation but often fail to identify fine-grained granularity and structured information of image and instance, such as eyes, leg, paw, etc. Meanwhile, prompt-based keypoint detection is still under-explored. To bridge the gap, we make the first attempt to develop an end-to-end prompt-based keypoint detection framework called UniPose to detect keypoints of any objects. As keypoint detection tasks are unified in this framework, we can leverage 13 keypoint detection datasets with 338 keypoints across 1,237 categories over 400K instances to train a generic keypoint detection model. UniPose can effectively align text-to-keypoint and image-to-keypoint due to the mutual enhancement of textual and visual prompts based on the cross-modality contrastive learning optimization objectives. Our experimental results show that UniPose has strong fine-grained localization and generalization abilities across image styles, categories, and poses. Based on UniPose as a generalist keypoint detector, we hope it could serve fine-grained visual perception, understanding, and generation.

In this work, we study how the performance of a given direction changes with its sampling ratio in Multilingual Neural Machine Translation (MNMT). By training over 200 multilingual models with various model sizes, data sizes, and language directions, we find it interesting that the performance of certain translation direction does not always improve with the increase of its weight in the multi-task optimization objective. Accordingly, scalarization method leads to a multitask trade-off front that deviates from the traditional Pareto front when there exists data imbalance in the training corpus, which poses a great challenge to improve the overall performance of all directions. Based on our observations, we propose the Double Power Law to predict the unique performance trade-off front in MNMT, which is robust across various languages, data adequacy, and the number of tasks. Finally, we formulate the sample ratio selection problem in MNMT as an optimization problem based on the Double Power Law. In our experiments, it achieves better performance than temperature searching and gradient manipulation methods with only 1/5 to 1/2 of the total training budget. We release the code at https://github.com/pkunlp-icler/ParetoMNMT for reproduction.

We study offline multi-agent reinforcement learning (RL) in Markov games, where the goal is to learn an approximate equilibrium -- such as Nash equilibrium and (Coarse) Correlated Equilibrium -- from an offline dataset pre-collected from the game. Existing works consider relatively restricted tabular or linear models and handle each equilibria separately. In this work, we provide the first framework for sample-efficient offline learning in Markov games under general function approximation, handling all 3 equilibria in a unified manner. By using Bellman-consistent pessimism, we obtain interval estimation for policies' returns, and use both the upper and the lower bounds to obtain a relaxation on the gap of a candidate policy, which becomes our optimization objective. Our results generalize prior works and provide several additional insights. Importantly, we require a data coverage condition that improves over the recently proposed "unilateral concentrability". Our condition allows selective coverage of deviation policies that optimally trade-off between their greediness (as approximate best responses) and coverage, and we show scenarios where this leads to significantly better guarantees. As a new connection, we also show how our algorithmic framework can subsume seemingly different solution concepts designed for the special case of two-player zero-sum games.

Estimating human pose and shape from monocular images is a long-standing problem in computer vision. Since the release of statistical body models, 3D human mesh recovery has been drawing broader attention. With the same goal of obtaining well-aligned and physically plausible mesh results, two paradigms have been developed to overcome challenges in the 2D-to-3D lifting process: i) an optimization-based paradigm, where different data terms and regularization terms are exploited as optimization objectives; and ii) a regression-based paradigm, where deep learning techniques are embraced to solve the problem in an end-to-end fashion. Meanwhile, continuous efforts are devoted to improving the quality of 3D mesh labels for a wide range of datasets. Though remarkable progress has been achieved in the past decade, the task is still challenging due to flexible body motions, diverse appearances, complex environments, and insufficient in-the-wild annotations. To the best of our knowledge, this is the first survey to focus on the task of monocular 3D human mesh recovery. We start with the introduction of body models and then elaborate recovery frameworks and training objectives by providing in-depth analyses of their strengths and weaknesses. We also summarize datasets, evaluation metrics, and benchmark results. Open issues and future directions are discussed in the end, hoping to motivate researchers and facilitate their research in this area. A regularly updated project page can be found at https://github.com/tinatiansjz/hmr-survey.

Generative convolutional deep neural networks, e.g. popular GAN architectures, are relying on convolution based up-sampling methods to produce non-scalar outputs like images or video sequences. In this paper, we show that common up-sampling methods, i.e. known as up-convolution or transposed convolution, are causing the inability of such models to reproduce spectral distributions of natural training data correctly. This effect is independent of the underlying architecture and we show that it can be used to easily detect generated data like deepfakes with up to 100% accuracy on public benchmarks. To overcome this drawback of current generative models, we propose to add a novel spectral regularization term to the training optimization objective. We show that this approach not only allows to train spectral consistent GANs that are avoiding high frequency errors. Also, we show that a correct approximation of the frequency spectrum has positive effects on the training stability and output quality of generative networks.

Portrait Animation aims to synthesize a lifelike video from a single source image, using it as an appearance reference, with motion (i.e., facial expressions and head pose) derived from a driving video, audio, text, or generation. Instead of following mainstream diffusion-based methods, we explore and extend the potential of the implicit-keypoint-based framework, which effectively balances computational efficiency and controllability. Building upon this, we develop a video-driven portrait animation framework named LivePortrait with a focus on better generalization, controllability, and efficiency for practical usage. To enhance the generation quality and generalization ability, we scale up the training data to about 69 million high-quality frames, adopt a mixed image-video training strategy, upgrade the network architecture, and design better motion transformation and optimization objectives. Additionally, we discover that compact implicit keypoints can effectively represent a kind of blendshapes and meticulously propose a stitching and two retargeting modules, which utilize a small MLP with negligible computational overhead, to enhance the controllability. Experimental results demonstrate the efficacy of our framework even compared to diffusion-based methods. The generation speed remarkably reaches 12.8ms on an RTX 4090 GPU with PyTorch. The inference code and models are available at https://github.com/KwaiVGI/LivePortrait

Unsupervised domain adaptation (UDA) aims to transfer knowledge learned from a labeled source domain to an unlabeled and unseen target domain, which is usually trained on data from both domains. Access to the source domain data at the adaptation stage, however, is often limited, due to data storage or privacy issues. To alleviate this, in this work, we target source free UDA for segmentation, and propose to adapt an ``off-the-shelf" segmentation model pre-trained in the source domain to the target domain, with an adaptive batch-wise normalization statistics adaptation framework. Specifically, the domain-specific low-order batch statistics, i.e., mean and variance, are gradually adapted with an exponential momentum decay scheme, while the consistency of domain shareable high-order batch statistics, i.e., scaling and shifting parameters, is explicitly enforced by our optimization objective. The transferability of each channel is adaptively measured first from which to balance the contribution of each channel. Moreover, the proposed source free UDA framework is orthogonal to unsupervised learning methods, e.g., self-entropy minimization, which can thus be simply added on top of our framework. Extensive experiments on the BraTS 2018 database show that our source free UDA framework outperformed existing source-relaxed UDA methods for the cross-subtype UDA segmentation task and yielded comparable results for the cross-modality UDA segmentation task, compared with a supervised UDA methods with the source data.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental and theoretical contexts as its loss function proves suboptimal for refusal learning. Through gradient-based analysis, we identify these shortcomings and propose an improved safety alignment that disentangles DPO objectives into two components: (1) robust refusal training, which encourages refusal even when partial unsafe generations are produced, and (2) targeted unlearning of harmful knowledge. This approach significantly increases LLM robustness against a wide range of jailbreak attacks, including prefilling, suffix, and multi-turn attacks across both in-distribution and out-of-distribution scenarios. Furthermore, we introduce a method to emphasize critical refusal tokens by incorporating a reward-based token-level weighting mechanism for refusal learning, which further improves the robustness against adversarial exploits. Our research also suggests that robustness to jailbreak attacks is correlated with token distribution shifts in the training process and internal representations of refusal and harmful tokens, offering valuable directions for future research in LLM safety alignment. The code is available at https://github.com/wicai24/DOOR-Alignment

Recent representation learning approaches enhance neural topic models by optimizing the weighted linear combination of the evidence lower bound (ELBO) of the log-likelihood and the contrastive learning objective that contrasts pairs of input documents. However, document-level contrastive learning might capture low-level mutual information, such as word ratio, which disturbs topic modeling. Moreover, there is a potential conflict between the ELBO loss that memorizes input details for better reconstruction quality, and the contrastive loss which attempts to learn topic representations that generalize among input documents. To address these issues, we first introduce a novel contrastive learning method oriented towards sets of topic vectors to capture useful semantics that are shared among a set of input documents. Secondly, we explicitly cast contrastive topic modeling as a gradient-based multi-objective optimization problem, with the goal of achieving a Pareto stationary solution that balances the trade-off between the ELBO and the contrastive objective. Extensive experiments demonstrate that our framework consistently produces higher-performing neural topic models in terms of topic coherence, topic diversity, and downstream performance.

Precise alignment in Text-to-Image (T2I) systems is crucial to ensure that generated visuals not only accurately encapsulate user intents but also conform to stringent ethical and aesthetic benchmarks. Incidents like the Google Gemini fiasco, where misaligned outputs triggered significant public backlash, underscore the critical need for robust alignment mechanisms. In contrast, Large Language Models (LLMs) have achieved notable success in alignment. Building on these advancements, researchers are eager to apply similar alignment techniques, such as Direct Preference Optimization (DPO), to T2I systems to enhance image generation fidelity and reliability. We present YinYangAlign, an advanced benchmarking framework that systematically quantifies the alignment fidelity of T2I systems, addressing six fundamental and inherently contradictory design objectives. Each pair represents fundamental tensions in image generation, such as balancing adherence to user prompts with creative modifications or maintaining diversity alongside visual coherence. YinYangAlign includes detailed axiom datasets featuring human prompts, aligned (chosen) responses, misaligned (rejected) AI-generated outputs, and explanations of the underlying contradictions.

Social media platforms are essential outlets for expressing opinions, providing a valuable resource for capturing public viewpoints via text analytics. However, for many users, passive browsing is their preferred mode of interaction, leading to their perspectives being overlooked by text analytics methods. Meanwhile, social media polls have emerged as a practical feature for gathering public opinions, allowing post authors to pose questions with pre-defined answer options for readers to vote on. To broaden the benefits of polls for posts without them, this article explores the automatic generation of a poll from a social media post by leveraging cutting-edge natural language generation (NLG) techniques. However, existing NLG techniques, primarily developed for general-domain texts, may be ineffective when applied to noisy social media data, which often feature implicit context-question-answer relations. To tackle these challenges, we enrich a post context with its comments and propose a novel unified poll generation framework called UniPoll. It employs prompt tuning with multi-objective optimization to bolster the connection exploration between contexts (posts and comments) and polls (questions and answers). Experimental comparisons on a large-scale Chinese Weibo dataset show that UniPoll significantly outperforms T5, the state-of-the-art NLG model, which generates question and answer separately. Comprehensive qualitative and quantitative analyses further underscore the superiority of UniPoll through various evaluation lenses.

The design and optimization of wireless networks have mostly been based on strong mathematical and theoretical modeling. Nonetheless, as novel applications emerge in the era of 5G and beyond, unprecedented levels of complexity will be encountered in the design and optimization of the network. As a result, the use of Artificial Intelligence (AI) is envisioned for wireless network design and optimization due to the flexibility and adaptability it offers in solving extremely complex problems in real-time. One of the main future applications of AI is enabling user-level personalization for numerous use cases. AI will revolutionize the way we interact with computers in which computers will be able to sense commands and emotions from humans in a non-intrusive manner, making the entire process transparent to users. By leveraging this capability, and accelerated by the advances in computing technologies, wireless networks can be redesigned to enable the personalization of network services to the user level in real-time. While current wireless networks are being optimized to achieve a predefined set of quality requirements, the personalization technology advocated in this article is supported by an intelligent big data-driven layer designed to micro-manage the scarce network resources. This layer provides the intelligence required to decide the necessary service quality that achieves the target satisfaction level for each user. Due to its dynamic and flexible design, personalized networks are expected to achieve unprecedented improvements in optimizing two contradicting objectives in wireless networks: saving resources and improving user satisfaction levels.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

Offline Reinforcement Learning (RL) is structured to derive policies from static trajectory data without requiring real-time environment interactions. Recent studies have shown the feasibility of framing offline RL as a sequence modeling task, where the sole aim is to predict actions based on prior context using the transformer architecture. However, the limitation of this single task learning approach is its potential to undermine the transformer model's attention mechanism, which should ideally allocate varying attention weights across different tokens in the input context for optimal prediction. To address this, we reformulate offline RL as a multi-objective optimization problem, where the prediction is extended to states and returns. We also highlight a potential flaw in the trajectory representation used for sequence modeling, which could generate inaccuracies when modeling the state and return distributions. This is due to the non-smoothness of the action distribution within the trajectory dictated by the behavioral policy. To mitigate this issue, we introduce action space regions to the trajectory representation. Our experiments on D4RL benchmark locomotion tasks reveal that our propositions allow for more effective utilization of the attention mechanism in the transformer model, resulting in performance that either matches or outperforms current state-of-the art methods.

We study multi-agent reinforcement learning (MARL) for the general-sum Markov Games (MGs) under the general function approximation. In order to find the minimum assumption for sample-efficient learning, we introduce a novel complexity measure called the Multi-Agent Decoupling Coefficient (MADC) for general-sum MGs. Using this measure, we propose the first unified algorithmic framework that ensures sample efficiency in learning Nash Equilibrium, Coarse Correlated Equilibrium, and Correlated Equilibrium for both model-based and model-free MARL problems with low MADC. We also show that our algorithm provides comparable sublinear regret to the existing works. Moreover, our algorithm combines an equilibrium-solving oracle with a single objective optimization subprocedure that solves for the regularized payoff of each deterministic joint policy, which avoids solving constrained optimization problems within data-dependent constraints (Jin et al. 2020; Wang et al. 2023) or executing sampling procedures with complex multi-objective optimization problems (Foster et al. 2023), thus being more amenable to empirical implementation.

Multi-objective reinforcement learning (MORL) extends traditional RL by seeking policies making different compromises among conflicting objectives. The recent surge of interest in MORL has led to diverse studies and solving methods, often drawing from existing knowledge in multi-objective optimization based on decomposition (MOO/D). Yet, a clear categorization based on both RL and MOO/D is lacking in the existing literature. Consequently, MORL researchers face difficulties when trying to classify contributions within a broader context due to the absence of a standardized taxonomy. To tackle such an issue, this paper introduces multi-objective reinforcement learning based on decomposition (MORL/D), a novel methodology bridging the literature of RL and MOO. A comprehensive taxonomy for MORL/D is presented, providing a structured foundation for categorizing existing and potential MORL works. The introduced taxonomy is then used to scrutinize MORL research, enhancing clarity and conciseness through well-defined categorization. Moreover, a flexible framework derived from the taxonomy is introduced. This framework accommodates diverse instantiations using tools from both RL and MOO/D. Its versatility is demonstrated by implementing it in different configurations and assessing it on contrasting benchmark problems. Results indicate MORL/D instantiations achieve comparable performance to current state-of-the-art approaches on the studied problems. By presenting the taxonomy and framework, this paper offers a comprehensive perspective and a unified vocabulary for MORL. This not only facilitates the identification of algorithmic contributions but also lays the groundwork for novel research avenues in MORL.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

While large language models (LLMs) exhibit remarkable capabilities across various tasks, they encounter potential security risks such as jailbreak attacks, which exploit vulnerabilities to bypass security measures and generate harmful outputs. Existing jailbreak strategies mainly focus on maximizing attack success rate (ASR), frequently neglecting other critical factors, including the relevance of the jailbreak response to the query and the level of stealthiness. This narrow focus on single objectives can result in ineffective attacks that either lack contextual relevance or are easily recognizable. In this work, we introduce BlackDAN, an innovative black-box attack framework with multi-objective optimization, aiming to generate high-quality prompts that effectively facilitate jailbreaking while maintaining contextual relevance and minimizing detectability. BlackDAN leverages Multiobjective Evolutionary Algorithms (MOEAs), specifically the NSGA-II algorithm, to optimize jailbreaks across multiple objectives including ASR, stealthiness, and semantic relevance. By integrating mechanisms like mutation, crossover, and Pareto-dominance, BlackDAN provides a transparent and interpretable process for generating jailbreaks. Furthermore, the framework allows customization based on user preferences, enabling the selection of prompts that balance harmfulness, relevance, and other factors. Experimental results demonstrate that BlackDAN outperforms traditional single-objective methods, yielding higher success rates and improved robustness across various LLMs and multimodal LLMs, while ensuring jailbreak responses are both relevant and less detectable.

Large Language Models (LLMs) exhibit strong general language capabilities. However, fine-tuning these models on domain-specific tasks often leads to catastrophic forgetting, where the model overwrites or loses essential knowledge acquired during pretraining. This phenomenon significantly limits the broader applicability of LLMs. To address this challenge, we propose a novel approach to compute the element-wise importance of model parameters crucial for preserving general knowledge during fine-tuning. Our method utilizes a dual-objective optimization strategy: (1) regularization loss based on element-wise parameter importance, which constrains the updates to parameters crucial for general knowledge; (2) cross-entropy loss to adapt to domain-specific tasks. Additionally, we introduce layer-wise coefficients to account for the varying contributions of different layers, dynamically balancing the dual-objective optimization. Extensive experiments on scientific, medical, and physical tasks using GPT-J and LLaMA-3 demonstrate that our approach mitigates catastrophic forgetting while enhancing model adaptability. Compared to previous methods, our solution is approximately 20 times faster and requires only 10-15% of the storage, highlighting the practical efficiency. The code will be released.

Saliency post-hoc explainability methods are important tools for understanding increasingly complex NLP models. While these methods can reflect the model's reasoning, they may not align with human intuition, making the explanations not plausible. In this work, we present a methodology for incorporating rationales, which are text annotations explaining human decisions, into text classification models. This incorporation enhances the plausibility of post-hoc explanations while preserving their faithfulness. Our approach is agnostic to model architectures and explainability methods. We introduce the rationales during model training by augmenting the standard cross-entropy loss with a novel loss function inspired by contrastive learning. By leveraging a multi-objective optimization algorithm, we explore the trade-off between the two loss functions and generate a Pareto-optimal frontier of models that balance performance and plausibility. Through extensive experiments involving diverse models, datasets, and explainability methods, we demonstrate that our approach significantly enhances the quality of model explanations without causing substantial (sometimes negligible) degradation in the original model's performance.

Large language models (LLMs) usually fall short on information extraction (IE) tasks and struggle to follow the complex instructions of IE tasks. This primarily arises from LLMs not being aligned with humans, as mainstream alignment datasets typically do not include IE data. In this paper, we introduce ADELIE (Aligning large language moDELs on Information Extraction), an aligned LLM that effectively solves various IE tasks, including closed IE, open IE, and on-demand IE. We first collect and construct a high-quality alignment corpus IEInstruct for IE. Then we train ADELIE_SFT using instruction tuning on IEInstruct. We further train ADELIE_SFT with direct preference optimization (DPO) objective, resulting in ADELIE_DPO. Extensive experiments on various held-out IE datasets demonstrate that our models (ADELIE_SFT and ADELIE_DPO) achieve state-of-the-art (SoTA) performance among open-source models. We further explore the general capabilities of ADELIE, and experimental results reveal that their general capabilities do not exhibit a noticeable decline. We will release the code, data, and models to facilitate further research.

In this paper, we tackle the problem of estimating 3D contact forces using vision-based tactile sensors. In particular, our goal is to estimate contact forces over a large range (up to 15 N) on any objects while generalizing across different vision-based tactile sensors. Thus, we collected a dataset of over 200K indentations using a robotic arm that pressed various indenters onto a GelSight Mini sensor mounted on a force sensor and then used the data to train a multi-head transformer for force regression. Strong generalization is achieved via accurate data collection and multi-objective optimization that leverages depth contact images. Despite being trained only on primitive shapes and textures, the regressor achieves a mean absolute error of 4\% on a dataset of unseen real-world objects. We further evaluate our approach's generalization capability to other GelSight mini and DIGIT sensors, and propose a reproducible calibration procedure for adapting the pre-trained model to other vision-based sensors. Furthermore, the method was evaluated on real-world tasks, including weighing objects and controlling the deformation of delicate objects, which relies on accurate force feedback. Project webpage: http://prg.cs.umd.edu/FeelAnyForce

Neural Architecture Search (NAS) methods have been growing in popularity. These techniques have been fundamental to automate and speed up the time consuming and error-prone process of synthesizing novel Deep Learning (DL) architectures. NAS has been extensively studied in the past few years. Arguably their most significant impact has been in image classification and object detection tasks where the state of the art results have been obtained. Despite the significant success achieved to date, applying NAS to real-world problems still poses significant challenges and is not widely practical. In general, the synthesized Convolution Neural Network (CNN) architectures are too complex to be deployed in resource-limited platforms, such as IoT, mobile, and embedded systems. One solution growing in popularity is to use multi-objective optimization algorithms in the NAS search strategy by taking into account execution latency, energy consumption, memory footprint, etc. This kind of NAS, called hardware-aware NAS (HW-NAS), makes searching the most efficient architecture more complicated and opens several questions. In this survey, we provide a detailed review of existing HW-NAS research and categorize them according to four key dimensions: the search space, the search strategy, the acceleration technique, and the hardware cost estimation strategies. We further discuss the challenges and limitations of existing approaches and potential future directions. This is the first survey paper focusing on hardware-aware NAS. We hope it serves as a valuable reference for the various techniques and algorithms discussed and paves the road for future research towards hardware-aware NAS.

Reinforcement learning from human feedback (RLHF) has become the leading approach for fine-tuning large language models (LLM). However, RLHF has limitations in multi-task learning (MTL) due to challenges of reward hacking and extreme multi-objective optimization (i.e., trade-off of multiple and/or sometimes conflicting objectives). Applying RLHF for MTL currently requires careful tuning of the weights for reward model and data combinations. This is often done via human intuition and does not generalize. In this work, we introduce a novel post-training paradigm which we called Constrained Generative Policy Optimization (CGPO). The core of CGPO is Mixture of Judges (MoJ) with cost-efficient constrained policy optimization with stratification, which can identify the perfect blend in RLHF in a principled manner. It shows strong empirical results with theoretical guarantees, does not require extensive hyper-parameter tuning, and is plug-and-play in common post-training pipelines. Together, this can detect and mitigate reward hacking behaviors while reaching a pareto-optimal point across an extremely large number of objectives. Our empirical evaluations demonstrate that CGPO significantly outperforms standard RLHF algorithms like PPO and DPO across various tasks including general chat, STEM questions, instruction following, and coding. Specifically, CGPO shows improvements of 7.4% in AlpacaEval-2 (general chat), 12.5% in Arena-Hard (STEM & reasoning), and consistent gains in other domains like math and coding. Notably, PPO, while commonly used, is prone to severe reward hacking in popular coding benchmarks, which CGPO successfully addresses. This breakthrough in RLHF not only tackles reward hacking and extreme multi-objective optimization challenges but also advances the state-of-the-art in aligning general-purpose LLMs for diverse applications.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

Safe reinforcement learning (RL) trains a constraint satisfaction policy by interacting with the environment. We aim to tackle a more challenging problem: learning a safe policy from an offline dataset. We study the offline safe RL problem from a novel multi-objective optimization perspective and propose the epsilon-reducible concept to characterize problem difficulties. The inherent trade-offs between safety and task performance inspire us to propose the constrained decision transformer (CDT) approach, which can dynamically adjust the trade-offs during deployment. Extensive experiments show the advantages of the proposed method in learning an adaptive, safe, robust, and high-reward policy. CDT outperforms its variants and strong offline safe RL baselines by a large margin with the same hyperparameters across all tasks, while keeping the zero-shot adaptation capability to different constraint thresholds, making our approach more suitable for real-world RL under constraints. The code is available at https://github.com/liuzuxin/OSRL.

Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity improvements of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3 and 2 bits, respectively, and more than 80% memory and energy reductions over the original LLMs. Codes and models are available at https://github.com/GATECH-EIC/ShiftAddLLM.

Local Differential Privacy (LDP) offers strong privacy protection, especially in settings in which the server collecting the data is untrusted. However, designing LDP mechanisms that achieve an optimal trade-off between privacy, utility, and robustness to adversarial inference attacks remains challenging. In this work, we introduce a general multi-objective optimization framework for refining LDP protocols, enabling the joint optimization of privacy and utility under various adversarial settings. While our framework is flexible enough to accommodate multiple privacy and security attacks as well as utility metrics, in this paper we specifically optimize for Attacker Success Rate (ASR) under distinguishability attack as a measure of privacy and Mean Squared Error (MSE) as a measure of utility. We systematically revisit these trade-offs by analyzing eight state-of-the-art LDP protocols and proposing refined counterparts that leverage tailored optimization techniques. Experimental results demonstrate that our proposed adaptive mechanisms consistently outperform their non-adaptive counterparts, reducing ASR by up to five orders of magnitude while maintaining competitive utility. Analytical derivations also confirm the effectiveness of our mechanisms, moving them closer to the ASR-MSE Pareto frontier.

Large Language Models (LLMs) have shown remarkable performance in automated code generation. However, existing approaches often rely heavily on pre-defined test cases, which become impractical in scenarios where such cases are unavailable. While prior works explore filtering techniques between programs and test cases, they overlook the refinement of test cases. To address this limitation, we introduce CoCoEvo, a novel LLM-based co-evolution framework that simultaneously evolves programs and test cases. CoCoEvo eliminates the dependency on pre-defined test cases by generating both programs and test cases directly from natural language problem descriptions and function headers. The framework employs specialized evolutionary operators, including LLM-based crossover and mutation operators for program evolution, along with a test case generation operator for test case evolution. Additionally, we propose optimization strategies such as a crossover rate scheduler to balance exploration and convergence, and a multi-objective optimization method for test case selection. Experimental results on multiple state-of-the-art LLMs demonstrate that CoCoEvo surpasses existing methods, achieving state-of-the-art performance in automated code generation and testing. These results underscore the potential of co-evolutionary techniques in advancing the field of automated programming.

Many ML-based approaches have been proposed to automatically detect, localize, and repair software vulnerabilities. While ML-based methods are more effective than program analysis-based vulnerability analysis tools, few have been integrated into modern IDEs, hindering practical adoption. To bridge this critical gap, we propose AIBugHunter, a novel ML-based software vulnerability analysis tool for C/C++ languages that is integrated into Visual Studio Code. AIBugHunter helps software developers to achieve real-time vulnerability detection, explanation, and repairs during programming. In particular, AIBugHunter scans through developers' source code to (1) locate vulnerabilities, (2) identify vulnerability types, (3) estimate vulnerability severity, and (4) suggest vulnerability repairs. In this article, we propose a novel multi-objective optimization (MOO)-based vulnerability classification approach and a transformer-based estimation approach to help AIBugHunter accurately identify vulnerability types and estimate severity. Our empirical experiments on a large dataset consisting of 188K+ C/C++ functions confirm that our proposed approaches are more accurate than other state-of-the-art baseline methods for vulnerability classification and estimation. Furthermore, we conduct qualitative evaluations including a survey study and a user study to obtain software practitioners' perceptions of our AIBugHunter tool and assess the impact that AIBugHunter may have on developers' productivity in security aspects. Our survey study shows that our AIBugHunter is perceived as useful where 90% of the participants consider adopting our AIBugHunter. Last but not least, our user study shows that our AIBugHunter could possibly enhance developers' productivity in combating cybersecurity issues during software development.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

Recently, text-to-3D generation has attracted significant attention, resulting in notable performance enhancements. Previous methods utilize end-to-end 3D generation models to initialize 3D Gaussians, multi-view diffusion models to enforce multi-view consistency, and text-to-image diffusion models to refine details with score distillation algorithms. However, these methods exhibit two limitations. Firstly, they encounter conflicts in generation directions since different models aim to produce diverse 3D assets. Secondly, the issue of over-saturation in score distillation has not been thoroughly investigated and solved. To address these limitations, we propose PlacidDreamer, a text-to-3D framework that harmonizes initialization, multi-view generation, and text-conditioned generation with a single multi-view diffusion model, while simultaneously employing a novel score distillation algorithm to achieve balanced saturation. To unify the generation direction, we introduce the Latent-Plane module, a training-friendly plug-in extension that enables multi-view diffusion models to provide fast geometry reconstruction for initialization and enhanced multi-view images to personalize the text-to-image diffusion model. To address the over-saturation problem, we propose to view score distillation as a multi-objective optimization problem and introduce the Balanced Score Distillation algorithm, which offers a Pareto Optimal solution that achieves both rich details and balanced saturation. Extensive experiments validate the outstanding capabilities of our PlacidDreamer. The code is available at https://github.com/HansenHuang0823/PlacidDreamer.

Like generic multi-task learning, continual learning has the nature of multi-objective optimization, and therefore faces a trade-off between the performance of different tasks. That is, to optimize for the current task distribution, it may need to compromise performance on some previous tasks. This means that there exist multiple models that are Pareto-optimal at different times, each addressing a distinct task performance trade-off. Researchers have discussed how to train particular models to address specific trade-off preferences. However, existing algorithms require training overheads proportional to the number of preferences -- a large burden when there are multiple, possibly infinitely many, preferences. As a response, we propose Imprecise Bayesian Continual Learning (IBCL). Upon a new task, IBCL (1) updates a knowledge base in the form of a convex hull of model parameter distributions and (2) obtains particular models to address task trade-off preferences with zero-shot. That is, IBCL does not require any additional training overhead to generate preference-addressing models from its knowledge base. We show that models obtained by IBCL have guarantees in identifying the Pareto optimal parameters. Moreover, experiments on standard image classification and NLP tasks support this guarantee. Statistically, IBCL improves average per-task accuracy by at most 23% and peak per-task accuracy by at most 15% with respect to the baseline methods, with steadily near-zero or positive backward transfer. Most importantly, IBCL significantly reduces the training overhead from training 1 model per preference to at most 3 models for all preferences.

Sparse Mixture of Experts (SMoE) has become the key to unlocking unparalleled scalability in deep learning. SMoE has the potential to exponentially increase parameter count while maintaining the efficiency of the model by only activating a small subset of these parameters for a given sample. However, it has been observed that SMoE suffers from unstable training and has difficulty adapting to new distributions, leading to the model's lack of robustness to data contamination. To overcome these limitations, we first establish a connection between the dynamics of the expert representations in SMoEs and gradient descent on a multi-objective optimization problem. Leveraging our framework, we then integrate momentum into SMoE and propose a new family of SMoEs named MomentumSMoE. We theoretically prove and numerically demonstrate that MomentumSMoE is more stable and robust than SMoE. In particular, we verify the advantages of MomentumSMoE over SMoE on a variety of practical tasks including ImageNet-1K object recognition and WikiText-103 language modeling. We demonstrate the applicability of MomentumSMoE to many types of SMoE models, including those in the Sparse MoE model for vision (V-MoE) and the Generalist Language Model (GLaM). We also show that other advanced momentum-based optimization methods, such as Adam, can be easily incorporated into the MomentumSMoE framework for designing new SMoE models with even better performance, almost negligible additional computation cost, and simple implementations.

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on neural networks appeared recently and show promising results. However, the new models have not been profiled on consistent tasks, and comparative studies to well-established algorithms have only seldom been performed. To standardize the assessment of both classical and neural models for de novo molecular design, we propose an evaluation framework, GuacaMol, based on a suite of standardized benchmarks. The benchmark tasks encompass measuring the fidelity of the models to reproduce the property distribution of the training sets, the ability to generate novel molecules, the exploration and exploitation of chemical space, and a variety of single and multi-objective optimization tasks. The benchmarking open-source Python code, and a leaderboard can be found on https://benevolent.ai/guacamol

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This includes the LLM, embedding, and ranker models themselves, as well as hyperparameters governing individual RAG components. Yet, collectively optimizing the entire configuration in a RAG or LLM system remains under-explored - especially in multi-objective settings - due to intractably large solution spaces, noisy objective evaluations, and the high cost of evaluations. In this work, we introduce the first approach for multi-objective parameter optimization of cost, latency, safety and alignment over entire LLM and RAG systems. We find that Bayesian optimization methods significantly outperform baseline approaches, obtaining a superior Pareto front on two new RAG benchmark tasks. We conclude our work with important considerations for practitioners who are designing multi-objective RAG systems, highlighting nuances such as how optimal configurations may not generalize across tasks and objectives.

Population Based Training (PBT) is an efficient hyperparameter optimization algorithm. PBT is a single-objective algorithm, but many real-world hyperparameter optimization problems involve two or more conflicting objectives. In this work, we therefore introduce a multi-objective version of PBT, MO-PBT. Our experiments on diverse multi-objective hyperparameter optimization problems (Precision/Recall, Accuracy/Fairness, Accuracy/Adversarial Robustness) show that MO-PBT outperforms random search, single-objective PBT, and the state-of-the-art multi-objective hyperparameter optimization algorithm MO-ASHA.

Exploration bonuses in reinforcement learning guide long-horizon exploration by defining custom intrinsic objectives. Several exploration objectives like count-based bonuses, pseudo-counts, and state-entropy maximization are non-stationary and hence are difficult to optimize for the agent. While this issue is generally known, it is usually omitted and solutions remain under-explored. The key contribution of our work lies in transforming the original non-stationary rewards into stationary rewards through an augmented state representation. For this purpose, we introduce the Stationary Objectives For Exploration (SOFE) framework. SOFE requires identifying sufficient statistics for different exploration bonuses and finding an efficient encoding of these statistics to use as input to a deep network. SOFE is based on proposing state augmentations that expand the state space but hold the promise of simplifying the optimization of the agent's objective. We show that SOFE improves the performance of several exploration objectives, including count-based bonuses, pseudo-counts, and state-entropy maximization. Moreover, SOFE outperforms prior methods that attempt to stabilize the optimization of intrinsic objectives. We demonstrate the efficacy of SOFE in hard-exploration problems, including sparse-reward tasks, pixel-based observations, 3D navigation, and procedurally generated environments.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

This article mainly introduces how to use various basic emulators to form a combined emulator in the Jiutian Intelligence Network Simulation Platform to realize simulation service functions in different business scenarios. Among them, the combined emulator is included. The business scenarios include different practical applications such as multi-objective antenna optimization, high traffic of business, CSI (channel state information) compression feedback, etc.

Representations are at the core of all deep reinforcement learning (RL) methods for both Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). Many representation learning methods and theoretical frameworks have been developed to understand what constitutes an effective representation. However, the relationships between these methods and the shared properties among them remain unclear. In this paper, we show that many of these seemingly distinct methods and frameworks for state and history abstractions are, in fact, based on a common idea of self-predictive abstraction. Furthermore, we provide theoretical insights into the widely adopted objectives and optimization, such as the stop-gradient technique, in learning self-predictive representations. These findings together yield a minimalist algorithm to learn self-predictive representations for states and histories. We validate our theories by applying our algorithm to standard MDPs, MDPs with distractors, and POMDPs with sparse rewards. These findings culminate in a set of preliminary guidelines for RL practitioners.

Remarkable performance of large language models (LLMs) in a variety of tasks brings forth many opportunities as well as challenges of utilizing them in production settings. Towards practical adoption of LLMs, multi-agent systems hold great promise to augment, integrate, and orchestrate LLMs in the larger context of enterprise platforms that use existing proprietary data and models to tackle complex real-world tasks. Despite the tremendous success of these systems, current approaches rely on narrow, single-focus objectives for optimization and evaluation, often overlooking potential constraints in real-world scenarios, including restricted budgets, resources and time. Furthermore, interpreting, analyzing, and debugging these systems requires different components to be evaluated in relation to one another. This demand is currently not feasible with existing methodologies. In this postion paper, we introduce the concept of reasoning capacity as a unifying criterion to enable integration of constraints during optimization and establish connections among different components within the system, which also enable a more holistic and comprehensive approach to evaluation. We present a formal definition of reasoning capacity and illustrate its utility in identifying limitations within each component of the system. We then argue how these limitations can be addressed with a self-reflective process wherein human-feedback is used to alleviate shortcomings in reasoning and enhance overall consistency of the system.

Policy-based reinforcement learning algorithms are widely used in various fields. Among them, mainstream policy optimization algorithms such as TRPO and PPO introduce importance sampling into policy iteration, which allows the reuse of historical data. However, this can also lead to a high variance of the surrogate objective and indirectly affects the stability and convergence of the algorithm. In this paper, we first derived an upper bound of the surrogate objective variance, which can grow quadratically with the increase of the surrogate objective. Next, we proposed the dropout technique to avoid the excessive increase of the surrogate objective variance caused by importance sampling. Then, we introduced a general reinforcement learning framework applicable to mainstream policy optimization methods, and applied the dropout technique to the PPO algorithm to obtain the D-PPO variant. Finally, we conduct comparative experiments between D-PPO and PPO algorithms in the Atari 2600 environment, and the results show that D-PPO achieved significant performance improvements compared to PPO, and effectively limited the excessive increase of the surrogate objective variance during training.

A single language model (LM), despite aligning well with an average labeler through reinforcement learning from human feedback (RLHF), may not universally suit diverse human preferences. Recent approaches therefore opt for customization by collecting multi-dimensional feedback and creating distinct reward models (RMs) for each dimension (e.g., helpfulness, harmlessness, or honesty). Different LMs can then be optimized for different preferences using multi-objective RLHF (MORLHF) with different reward weightings. Yet, RL fine-tuning is unstable and resource-heavy, especially for MORLHF with diverse and usually conflicting objectives. In this paper, we present Multi-Objective Direct Preference Optimization (MODPO), an RL-free algorithm that extends Direct Preference Optimization (DPO) for multiple alignment objectives with minimal overheads. Essentially, MODPO folds language modeling directly into reward modeling, training LMs as implicit collective reward models (cRMs) that combine all objectives with specific weightings. While theoretically guaranteed to produce the same optimal solutions as MORLHF, MODPO is practically more stable and computationally efficient. Empirical results from safety alignment and long-form question answering confirm that MODPO matches or outperforms existing methods, consistently producing a Pareto front of LMs that cater to diverse preferences with 3 times less computational resources compared to MORLHF.

In the post-training of large language models (LLMs), Reinforcement Learning from Human Feedback (RLHF) is an effective approach to achieve generation aligned with human preferences. Direct Preference Optimization (DPO) allows for policy training with a simple binary cross-entropy loss without a reward model. The objective of DPO is regularized by reverse KL divergence that encourages mode-seeking fitting to the reference policy. Nonetheless, we indicate that minimizing reverse KL divergence could fail to capture a mode of the reference distribution, which may hurt the policy's performance. Based on this observation, we propose a simple modification to DPO, H-DPO, which allows for control over the entropy of the resulting policy, enhancing the distribution's sharpness and thereby enabling mode-seeking fitting more effectively. In our experiments, we show that H-DPO outperformed DPO across various tasks, demonstrating superior results in pass@k evaluations for mathematical tasks. Moreover, H-DPO is simple to implement, requiring only minor modifications to the loss calculation of DPO, which makes it highly practical and promising for wide-ranging applications in the training of LLMs.

We consider a class of assortment optimization problems in an offline data-driven setting. A firm does not know the underlying customer choice model but has access to an offline dataset consisting of the historically offered assortment set, customer choice, and revenue. The objective is to use the offline dataset to find an optimal assortment. Due to the combinatorial nature of assortment optimization, the problem of insufficient data coverage is likely to occur in the offline dataset. Therefore, designing a provably efficient offline learning algorithm becomes a significant challenge. To this end, we propose an algorithm referred to as Pessimistic ASsortment opTimizAtion (PASTA for short) designed based on the principle of pessimism, that can correctly identify the optimal assortment by only requiring the offline data to cover the optimal assortment under general settings. In particular, we establish a regret bound for the offline assortment optimization problem under the celebrated multinomial logit model. We also propose an efficient computational procedure to solve our pessimistic assortment optimization problem. Numerical studies demonstrate the superiority of the proposed method over the existing baseline method.

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

The objective function used in trajectory optimization is often non-convex and can have an infinite set of local optima. In such cases, there are diverse solutions to perform a given task. Although there are a few methods to find multiple solutions for motion planning, they are limited to generating a finite set of solutions. To address this issue, we presents an optimization method that learns an infinite set of solutions in trajectory optimization. In our framework, diverse solutions are obtained by learning latent representations of solutions. Our approach can be interpreted as training a deep generative model of collision-free trajectories for motion planning. The experimental results indicate that the trained model represents an infinite set of homotopic solutions for motion planning problems.

Both online and offline RLHF methods such as PPO and DPO have been extremely successful in aligning AI with human preferences. Despite their success, the existing methods suffer from a fundamental problem that their optimal solution is highly task-dependent (i.e., not robust to out-of-distribution (OOD) tasks). Here we address this challenge by proposing Self-Improving Robust Preference Optimization SRPO, a practical and mathematically principled offline RLHF framework that is completely robust to the changes in the task. The key idea of SRPO is to cast the problem of learning from human preferences as a self-improvement process, which can be mathematically expressed in terms of a min-max objective that aims at joint optimization of self-improvement policy and the generative policy in an adversarial fashion. The solution for this optimization problem is independent of the training task and thus it is robust to its changes. We then show that this objective can be re-expressed in the form of a non-adversarial offline loss which can be optimized using standard supervised optimization techniques at scale without any need for reward model and online inference. We show the effectiveness of SRPO in terms of AI Win-Rate (WR) against human (GOLD) completions. In particular, when SRPO is evaluated on the OOD XSUM dataset, it outperforms the celebrated DPO by a clear margin of 15% after 5 self-revisions, achieving WR of 90%.

Reinforcement learning from human feedback (RLHF) has emerged as a central tool for language model alignment. We consider online exploration in RLHF, which exploits interactive access to human or AI feedback by deliberately encouraging the model to produce diverse, maximally informative responses. By allowing RLHF to confidently stray from the pre-trained model, online exploration offers the possibility of novel, potentially super-human capabilities, but its full potential as a paradigm for language model training has yet to be realized, owing to computational and statistical bottlenecks in directly adapting existing reinforcement learning techniques. We propose a new algorithm for online exploration in RLHF, Exploratory Preference Optimization (XPO), which is simple and practical -- a one-line change to (online) Direct Preference Optimization (DPO; Rafailov et al., 2023) -- yet enjoys the strongest known provable guarantees and promising empirical performance. XPO augments the DPO objective with a novel and principled exploration bonus, empowering the algorithm to explore outside the support of the initial model and human feedback data. In theory, we show that XPO is provably sample-efficient and converges to a near-optimal language model policy under natural exploration conditions, irrespective of whether the initial model has good coverage. Our analysis, which builds on the observation that DPO implicitly performs a form of Q^{star}-approximation (or, Bellman error minimization), combines previously disparate techniques from language modeling and theoretical reinforcement learning in a serendipitous fashion through the perspective of KL-regularized Markov decision processes. Empirically, we find that XPO is more sample-efficient than non-exploratory DPO variants in a preliminary evaluation.

Text-to-image (T2I) diffusion models, when fine-tuned on a few personal images, are able to generate visuals with a high degree of consistency. However, they still lack in synthesizing images of different scenarios or styles that are possible in the original pretrained models. To address this, we propose to fine-tune the T2I model by maximizing consistency to reference images, while penalizing the deviation from the pretrained model. We devise a novel training objective for T2I diffusion models that minimally fine-tunes the pretrained model to achieve consistency. Our method, dubbed Direct Consistency Optimization, is as simple as regular diffusion loss, while significantly enhancing the compositionality of personalized T2I models. Also, our approach induces a new sampling method that controls the tradeoff between image fidelity and prompt fidelity. Lastly, we emphasize the necessity of using a comprehensive caption for reference images to further enhance the image-text alignment. We show the efficacy of the proposed method on the T2I personalization for subject, style, or both. In particular, our method results in a superior Pareto frontier to the baselines. Generated examples and codes are in our project page( https://dco-t2i.github.io/).

Untrustworthy users can misuse image generators to synthesize high-quality deepfakes and engage in unethical activities. Watermarking deters misuse by marking generated content with a hidden message, enabling its detection using a secret watermarking key. A core security property of watermarking is robustness, which states that an attacker can only evade detection by substantially degrading image quality. Assessing robustness requires designing an adaptive attack for the specific watermarking algorithm. When evaluating watermarking algorithms and their (adaptive) attacks, it is challenging to determine whether an adaptive attack is optimal, i.e., the best possible attack. We solve this problem by defining an objective function and then approach adaptive attacks as an optimization problem. The core idea of our adaptive attacks is to replicate secret watermarking keys locally by creating surrogate keys that are differentiable and can be used to optimize the attack's parameters. We demonstrate for Stable Diffusion models that such an attacker can break all five surveyed watermarking methods at no visible degradation in image quality. Optimizing our attacks is efficient and requires less than 1 GPU hour to reduce the detection accuracy to 6.3% or less. Our findings emphasize the need for more rigorous robustness testing against adaptive, learnable attackers.

Given a language model (LM), maximum probability is a poor decoding objective for open-ended generation, because it produces short and repetitive text. On the other hand, sampling can often produce incoherent text that drifts from the original topics. We propose contrastive decoding (CD), a reliable decoding approach that optimizes a contrastive objective subject to a plausibility constraint. The contrastive objective returns the difference between the likelihood under a large LM (called the expert, e.g. OPT-13B) and a small LM (called the amateur, e.g. OPT-125M), and the constraint ensures that the outputs are plausible. CD is inspired by the fact that the failures of larger LMs (e.g., repetition, incoherence) are even more prevalent in smaller LMs, and that this difference signals which texts should be preferred. CD requires zero additional training, and produces higher quality text than decoding from the larger LM alone. It also works across model scales (OPT-13B and GPT2-1.5B) and significantly outperforms four strong decoding algorithms (e.g., nucleus, top-k) in automatic and human evaluations across wikipedia, news and story domains.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

We introduce two complementary techniques for efficient adaptive optimization that reduce memory requirements while accelerating training of large-scale neural networks. The first technique, Subset-Norm adaptive step size, generalizes AdaGrad-Norm and AdaGrad(-Coordinate) by reducing the second moment term's memory footprint from O(d) to O(d) through step-size sharing, where d is the model size. For non-convex smooth objectives under coordinate-wise sub-gaussian gradient noise, we prove a noise-adapted high-probability convergence guarantee showing improved dimensional dependence over existing methods. Our second technique, Subspace-Momentum, reduces the momentum state's memory footprint by operating in a low-dimensional subspace while applying standard SGD in the orthogonal complement. We establish high-probability convergence rates under similar relaxed assumptions. Empirical evaluation on LLaMA models from 60M to 1B parameters demonstrates the effectiveness of our methods, where combining subset-norm with subspace-momentum achieves Adam's validation perplexity in approximately half the training tokens (6.8B vs 13.1B) while using only 20% of the Adam's optimizer-states memory footprint and requiring minimal additional hyperparameter tuning.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

We define a new class of set functions that in addition to being monotone and subadditive, also admit a very limited form of submodularity defined over a permutation of the ground set. We refer to this permutation as a submodular order. This class of functions includes monotone submodular functions as a sub-family. To understand the importance of this structure in optimization problems we consider the problem of maximizing function value under various types of constraints. To demonstrate the modeling power of submodular order functions we show applications in two different settings. First, we apply our results to the extensively studied problem of assortment optimization. While the objectives in assortment optimization are known to be non-submodular (and non-monotone) even for simple choice models, we show that they are compatible with the notion of submodular order. Consequently, we obtain new and in some cases the first constant factor guarantee for constrained assortment optimization in fundamental choice models. As a second application of submodular order functions, we show an intriguing connection to the maximization of monotone submodular functions in the streaming model. We recover some best known guarantees for this problem as a corollary of our results.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under explored. We address this by performing LLM-driven objective discovery to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously-evaluated performance metrics. This process leads to the discovery of previously-unknown and performant preference optimization algorithms. The best performing of these we call Discovered Preference Optimization (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

We present Seg-TTO, a novel framework for zero-shot, open-vocabulary semantic segmentation (OVSS), designed to excel in specialized domain tasks. While current open vocabulary approaches show impressive performance on standard segmentation benchmarks under zero-shot settings, they fall short of supervised counterparts on highly domain-specific datasets. We focus on segmentation-specific test-time optimization to address this gap. Segmentation requires an understanding of multiple concepts within a single image while retaining the locality and spatial structure of representations. We propose a novel self-supervised objective adhering to these requirements and use it to align the model parameters with input images at test time. In the textual modality, we learn multiple embeddings for each category to capture diverse concepts within an image, while in the visual modality, we calculate pixel-level losses followed by embedding aggregation operations specific to preserving spatial structure. Our resulting framework termed Seg-TTO is a plug-in-play module. We integrate Seg-TTO with three state-of-the-art OVSS approaches and evaluate across 22 challenging OVSS tasks covering a range of specialized domains. Our Seg-TTO demonstrates clear performance improvements across these establishing new state-of-the-art. Code: https://github.com/UlinduP/SegTTO.

Differing from sentiment transfer, positive reframing seeks to substitute negative perspectives with positive expressions while preserving the original meaning. With the emergence of pre-trained language models (PLMs), it is possible to achieve acceptable results by fine-tuning PLMs. Nevertheless, generating fluent, diverse and task-constrained reframing text remains a significant challenge. To tackle this issue, a multi-strategy optimization framework (MSOF) is proposed in this paper. Starting from the objective of positive reframing, we first design positive sentiment reward and content preservation reward to encourage the model to transform the negative expressions of the original text while ensuring the integrity and consistency of the semantics. Then, different decoding optimization approaches are introduced to improve the quality of text generation. Finally, based on the modeling formula of positive reframing, we propose a multi-dimensional re-ranking method that further selects candidate sentences from three dimensions: strategy consistency, text similarity and fluency. Extensive experiments on two Seq2Seq PLMs, BART and T5, demonstrate our framework achieves significant improvements on unconstrained and controlled positive reframing tasks.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

Influence maximization (IM) is formulated as selecting a set of initial users from a social network to maximize the expected number of influenced users. Researchers have made great progress in designing various traditional methods, and their theoretical design and performance gain are close to a limit. In the past few years, learning-based IM methods have emerged to achieve stronger generalization ability to unknown graphs than traditional ones. However, the development of learning-based IM methods is still limited by fundamental obstacles, including 1) the difficulty of effectively solving the objective function; 2) the difficulty of characterizing the diversified underlying diffusion patterns; and 3) the difficulty of adapting the solution under various node-centrality-constrained IM variants. To cope with the above challenges, we design a novel framework DeepIM to generatively characterize the latent representation of seed sets, and we propose to learn the diversified information diffusion pattern in a data-driven and end-to-end manner. Finally, we design a novel objective function to infer optimal seed sets under flexible node-centrality-based budget constraints. Extensive analyses are conducted over both synthetic and real-world datasets to demonstrate the overall performance of DeepIM. The code and data are available at: https://github.com/triplej0079/DeepIM.

Differential private optimization for nonconvex smooth objective is considered. In the previous work, the best known utility bound is widetilde O(d/(nvarepsilon_DP)) in terms of the squared full gradient norm, which is achieved by Differential Private Gradient Descent (DP-GD) as an instance, where n is the sample size, d is the problem dimensionality and varepsilon_DP is the differential privacy parameter. To improve the best known utility bound, we propose a new differential private optimization framework called DIFF2 (DIFFerential private optimization via gradient DIFFerences) that constructs a differential private global gradient estimator with possibly quite small variance based on communicated gradient differences rather than gradients themselves. It is shown that DIFF2 with a gradient descent subroutine achieves the utility of widetilde O(d^{2/3}/(nvarepsilon_DP)^{4/3}), which can be significantly better than the previous one in terms of the dependence on the sample size n. To the best of our knowledge, this is the first fundamental result to improve the standard utility widetilde O(d/(nvarepsilon_DP)) for nonconvex objectives. Additionally, a more computational and communication efficient subroutine is combined with DIFF2 and its theoretical analysis is also given. Numerical experiments are conducted to validate the superiority of DIFF2 framework.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

In problem-solving, we humans can come up with multiple novel solutions to the same problem. However, reinforcement learning algorithms can only produce a set of monotonous policies that maximize the cumulative reward but lack diversity and novelty. In this work, we address the problem of generating novel policies in reinforcement learning tasks. Instead of following the multi-objective framework used in existing methods, we propose to rethink the problem under a novel perspective of constrained optimization. We first introduce a new metric to evaluate the difference between policies and then design two practical novel policy generation methods following the new perspective. The two proposed methods, namely the Constrained Task Novel Bisector (CTNB) and the Interior Policy Differentiation (IPD), are derived from the feasible direction method and the interior point method commonly known in the constrained optimization literature. Experimental comparisons on the MuJoCo control suite show our methods can achieve substantial improvement over previous novelty-seeking methods in terms of both the novelty of policies and their performances in the primal task.

Kahneman & Tversky's prospect theory tells us that humans perceive random variables in a biased but well-defined manner; for example, humans are famously loss-averse. We show that objectives for aligning LLMs with human feedback implicitly incorporate many of these biases -- the success of these objectives (e.g., DPO) over cross-entropy minimization can partly be ascribed to them being human-aware loss functions (HALOs). However, the utility functions these methods attribute to humans still differ from those in the prospect theory literature. Using a Kahneman-Tversky model of human utility, we propose a HALO that directly maximizes the utility of generations instead of maximizing the log-likelihood of preferences, as current methods do. We call this approach Kahneman-Tversky Optimization (KTO), and it matches or exceeds the performance of preference-based methods at scales from 1B to 30B. Crucially, KTO does not need preferences -- only a binary signal of whether an output is desirable or undesirable for a given input. This makes it far easier to use in the real world, where preference data is scarce and expensive.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

This paper studies post-training large language models (LLMs) using preference feedback from a powerful oracle to help a model iteratively improve over itself. The typical approach for post-training LLMs involves Reinforcement Learning from Human Feedback (RLHF), which traditionally separates reward learning and subsequent policy optimization. However, such a reward maximization approach is limited by the nature of "point-wise" rewards (such as Bradley-Terry model), which fails to express complex intransitive or cyclic preference relations. While advances on RLHF show reward learning and policy optimization can be merged into a single contrastive objective for stability, they yet still remain tethered to the reward maximization framework. Recently, a new wave of research sidesteps the reward maximization presumptions in favor of directly optimizing over "pair-wise" or general preferences. In this paper, we introduce Direct Nash Optimization (DNO), a provable and scalable algorithm that marries the simplicity and stability of contrastive learning with theoretical generality from optimizing general preferences. Because DNO is a batched on-policy algorithm using a regression-based objective, its implementation is straightforward and efficient. Moreover, DNO enjoys monotonic improvement across iterations that help it improve even over a strong teacher (such as GPT-4). In our experiments, a resulting 7B parameter Orca-2.5 model aligned by DNO achieves the state-of-the-art win-rate against GPT-4-Turbo of 33% on AlpacaEval 2.0 (even after controlling for response length), an absolute gain of 26% (7% to 33%) over the initializing model. It outperforms models with far more parameters, including Mistral Large, Self-Rewarding LM (70B parameters), and older versions of GPT-4.

We consider the problem of multi-objective alignment of foundation models with human preferences, which is a critical step towards helpful and harmless AI systems. However, it is generally costly and unstable to fine-tune large foundation models using reinforcement learning (RL), and the multi-dimensionality, heterogeneity, and conflicting nature of human preferences further complicate the alignment process. In this paper, we introduce Rewards-in-Context (RiC), which conditions the response of a foundation model on multiple rewards in its prompt context and applies supervised fine-tuning for alignment. The salient features of RiC are simplicity and adaptivity, as it only requires supervised fine-tuning of a single foundation model and supports dynamic adjustment for user preferences during inference time. Inspired by the analytical solution of an abstracted convex optimization problem, our dynamic inference-time adjustment method approaches the Pareto-optimal solution for multiple objectives. Empirical evidence demonstrates the efficacy of our method in aligning both Large Language Models (LLMs) and diffusion models to accommodate diverse rewards with only around 10% GPU hours compared with multi-objective RL baseline.

Mirror descent (MD), a well-known first-order method in constrained convex optimization, has recently been shown as an important tool to analyze trust-region algorithms in reinforcement learning (RL). However, there remains a considerable gap between such theoretically analyzed algorithms and the ones used in practice. Inspired by this, we propose an efficient RL algorithm, called {\em mirror descent policy optimization} (MDPO). MDPO iteratively updates the policy by {\em approximately} solving a trust-region problem, whose objective function consists of two terms: a linearization of the standard RL objective and a proximity term that restricts two consecutive policies to be close to each other. Each update performs this approximation by taking multiple gradient steps on this objective function. We derive {\em on-policy} and {\em off-policy} variants of MDPO, while emphasizing important design choices motivated by the existing theory of MD in RL. We highlight the connections between on-policy MDPO and two popular trust-region RL algorithms: TRPO and PPO, and show that explicitly enforcing the trust-region constraint is in fact {\em not} a necessity for high performance gains in TRPO. We then show how the popular soft actor-critic (SAC) algorithm can be derived by slight modifications of off-policy MDPO. Overall, MDPO is derived from the MD principles, offers a unified approach to viewing a number of popular RL algorithms, and performs better than or on-par with TRPO, PPO, and SAC in a number of continuous control tasks. Code is available at https://github.com/manantomar/Mirror-Descent-Policy-Optimization.

Large Language Models (LLMs) are often aligned using contrastive alignment objectives and preference pair datasets. The interaction between model, paired data, and objective makes alignment a complicated procedure, sometimes producing subpar results. We study this and find that (i) preference data gives a better learning signal when the underlying responses are contrastive, and (ii) alignment objectives lead to better performance when they specify more control over the model during training. Based on these insights, we introduce Contrastive Learning from AI Revisions (CLAIR), a data-creation method which leads to more contrastive preference pairs, and Anchored Preference Optimization (APO), a controllable and more stable alignment objective. We align Llama-3-8B-Instruct using various comparable datasets and alignment objectives and measure MixEval-Hard scores, which correlate highly with human judgments. The CLAIR preferences lead to the strongest performance out of all datasets, and APO consistently outperforms less controllable objectives. Our best model, trained on 32K CLAIR preferences with APO, improves Llama-3-8B-Instruct by 7.65%, closing the gap with GPT4-turbo by 45%. Our code is available at https://github.com/ContextualAI/CLAIR_and_APO.

By integrating external knowledge, Retrieval-Augmented Generation (RAG) has become an effective strategy for mitigating the hallucination problems that large language models (LLMs) encounter when dealing with knowledge-intensive tasks. However, in the process of integrating external non-parametric supporting evidence with internal parametric knowledge, inevitable knowledge conflicts may arise, leading to confusion in the model's responses. To enhance the knowledge selection of LLMs in various contexts, some research has focused on refining their behavior patterns through instruction-tuning. Nonetheless, due to the absence of explicit negative signals and comparative objectives, models fine-tuned in this manner may still exhibit undesirable behaviors such as contextual ignorance and contextual overinclusion. To this end, we propose a Knowledge-aware Preference Optimization strategy, dubbed KnowPO, aimed at achieving adaptive knowledge selection based on contextual relevance in real retrieval scenarios. Concretely, we proposed a general paradigm for constructing knowledge conflict datasets, which comprehensively cover various error types and learn how to avoid these negative signals through preference optimization methods. Simultaneously, we proposed a rewriting strategy and data ratio optimization strategy to address preference imbalances. Experimental results show that KnowPO outperforms previous methods for handling knowledge conflicts by over 37\%, while also exhibiting robust generalization across various out-of-distribution datasets.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Reinforcement Learning with Human Feedback (RLHF) has achieved great success in aligning large language models (LLMs) with human preferences. Prevalent RLHF approaches are reward-based, following the Bradley-Terry (BT) model assumption, which may not fully capture the complexity of human preferences. In this paper, we explore RLHF under a general preference framework and approach it from a game-theoretic perspective. Specifically, we formulate the problem as a two-player game and propose a novel algorithm, iterative Nash policy optimization (INPO). The key idea is to let the policy play against itself via no-regret learning, thereby approximating the Nash policy. Unlike previous methods, INPO bypasses the need for estimating the expected win rate for individual responses, which typically incurs high computational or annotation costs. Instead, we introduce a new loss objective that is directly minimized over a preference dataset. We provide theoretical analysis for our approach and demonstrate its effectiveness through experiments on various representative benchmarks. With an LLaMA-3-8B-based SFT model, INPO achieves a 41.5% length-controlled win rate on AlpacaEval 2.0 and a 38.3% win rate on Arena-Hard, showing substantial improvement over the state-of-the-art iterative algorithm [Dong et al., 2024] under the BT model assumption. Additionally, our ablation study highlights the benefits of incorporating KL regularization for response length control.

Instruction tuning large language models (LLMs) remains a challenging task, owing to the complexity of hyperparameter selection and the difficulty involved in evaluating the tuned models. To determine the optimal hyperparameters, an automatic, robust, and reliable evaluation benchmark is essential. However, establishing such a benchmark is not a trivial task due to the challenges associated with evaluation accuracy and privacy protection. In response to these challenges, we introduce a judge large language model, named PandaLM, which is trained to distinguish the superior model given several LLMs. PandaLM's focus extends beyond just the objective correctness of responses, which is the main focus of traditional evaluation datasets. It addresses vital subjective factors such as relative conciseness, clarity, adherence to instructions, comprehensiveness, and formality. To ensure the reliability of PandaLM, we collect a diverse human-annotated test dataset, where all contexts are generated by humans and labels are aligned with human preferences. Our results indicate that PandaLM-7B achieves 93.75% of GPT-3.5's evaluation ability and 88.28% of GPT-4's in terms of F1-score on our test dataset. PandaLM enables the evaluation of LLM to be fairer but with less cost, evidenced by significant improvements achieved by models tuned through PandaLM compared to their counterparts trained with default Alpaca's hyperparameters. In addition, PandaLM does not depend on API-based evaluations, thus avoiding potential data leakage. All resources of PandaLM are released at https://github.com/WeOpenML/PandaLM.

In online reinforcement learning (online RL), balancing exploration and exploitation is crucial for finding an optimal policy in a sample-efficient way. To achieve this, existing sample-efficient online RL algorithms typically consist of three components: estimation, planning, and exploration. However, in order to cope with general function approximators, most of them involve impractical algorithmic components to incentivize exploration, such as optimization within data-dependent level-sets or complicated sampling procedures. To address this challenge, we propose an easy-to-implement RL framework called Maximize to Explore (MEX), which only needs to optimize unconstrainedly a single objective that integrates the estimation and planning components while balancing exploration and exploitation automatically. Theoretically, we prove that MEX achieves a sublinear regret with general function approximations for Markov decision processes (MDP) and is further extendable to two-player zero-sum Markov games (MG). Meanwhile, we adapt deep RL baselines to design practical versions of MEX, in both model-free and model-based manners, which can outperform baselines by a stable margin in various MuJoCo environments with sparse rewards. Compared with existing sample-efficient online RL algorithms with general function approximations, MEX achieves similar sample efficiency while enjoying a lower computational cost and is more compatible with modern deep RL methods.

Despite advances in AI alignment, language models (LM) remain vulnerable to adversarial attacks or jailbreaking, in which adversaries modify input prompts to induce harmful behavior. While some defenses have been proposed, they focus on narrow threat models and fall short of a strong defense, which we posit should be effective, universal, and practical. To achieve this, we propose the first adversarial objective for defending LMs against jailbreaking attacks and an algorithm, robust prompt optimization (RPO), that uses gradient-based token optimization to enforce harmless outputs. This results in an easily accessible suffix that significantly improves robustness to both jailbreaks seen during optimization and unknown, held-out jailbreaks, reducing the attack success rate on Starling-7B from 84% to 8.66% across 20 jailbreaks. In addition, we find that RPO has a minor effect on normal LM use, is successful under adaptive attacks, and can transfer to black-box models, reducing the success rate of the strongest attack on GPT-4 from 92% to 6%.

This study focuses on the topic of offline preference-based reinforcement learning (PbRL), a variant of conventional reinforcement learning that dispenses with the need for online interaction or specification of reward functions. Instead, the agent is provided with fixed offline trajectories and human preferences between pairs of trajectories to extract the dynamics and task information, respectively. Since the dynamics and task information are orthogonal, a naive approach would involve using preference-based reward learning followed by an off-the-shelf offline RL algorithm. However, this requires the separate learning of a scalar reward function, which is assumed to be an information bottleneck of the learning process. To address this issue, we propose the offline preference-guided policy optimization (OPPO) paradigm, which models offline trajectories and preferences in a one-step process, eliminating the need for separately learning a reward function. OPPO achieves this by introducing an offline hindsight information matching objective for optimizing a contextual policy and a preference modeling objective for finding the optimal context. OPPO further integrates a well-performing decision policy by optimizing the two objectives iteratively. Our empirical results demonstrate that OPPO effectively models offline preferences and outperforms prior competing baselines, including offline RL algorithms performed over either true or pseudo reward function specifications. Our code is available on the project website: https://sites.google.com/view/oppo-icml-2023 .

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

Concept shift is a prevailing problem in natural tasks like medical image segmentation where samples usually come from different subpopulations with variant correlations between features and labels. One common type of concept shift in medical image segmentation is the "information imbalance" between label-sparse samples with few (if any) segmentation labels and label-dense samples with plentiful labeled pixels. Existing distributionally robust algorithms have focused on adaptively truncating/down-weighting the "less informative" (i.e., label-sparse in our context) samples. To exploit data features of label-sparse samples more efficiently, we propose an adaptively weighted online optimization algorithm -- AdaWAC -- to incorporate data augmentation consistency regularization in sample reweighting. Our method introduces a set of trainable weights to balance the supervised loss and unsupervised consistency regularization of each sample separately. At the saddle point of the underlying objective, the weights assign label-dense samples to the supervised loss and label-sparse samples to the unsupervised consistency regularization. We provide a convergence guarantee by recasting the optimization as online mirror descent on a saddle point problem. Our empirical results demonstrate that AdaWAC not only enhances the segmentation performance and sample efficiency but also improves the robustness to concept shift on various medical image segmentation tasks with different UNet-style backbones.

Proximal Policy Optimization (PPO)-based Reinforcement Learning from Human Feedback (RLHF) is essential for aligning large language models (LLMs) with human preferences. It requires joint training of an actor and critic with a pretrained, fixed reward model for guidance. This approach increases computational complexity and instability due to actor-critic interdependence. Additionally, PPO lacks access to true environment rewards in LLM tasks, limiting its adaptability. Under such conditions, pretraining a value model or a reward model becomes equivalent, as both provide fixed supervisory signals without new ground-truth feedback. To address these issues, we propose Decoupled Value Policy Optimization (DVPO), a lean framework that replaces traditional reward modeling with a pretrained global value model (GVM). The GVM is conditioned on policy trajectories and predicts token-level return-to-go estimates. By decoupling value model from policy training (via frozen GVM-driven RL objectives), DVPO eliminates actor-critic interdependence, reducing GPU memory usage by 40\% and training time by 35\% compared to conventional RLHF. Experiments across benchmarks show DVPO outperforms efficient RLHF methods (e.g., DPO) while matching state-of-the-art PPO in performance.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Combining offline and online reinforcement learning (RL) is crucial for efficient and safe learning. However, previous approaches treat offline and online learning as separate procedures, resulting in redundant designs and limited performance. We ask: Can we achieve straightforward yet effective offline and online learning without introducing extra conservatism or regularization? In this study, we propose Uni-o4, which utilizes an on-policy objective for both offline and online learning. Owning to the alignment of objectives in two phases, the RL agent can transfer between offline and online learning seamlessly. This property enhances the flexibility of the learning paradigm, allowing for arbitrary combinations of pretraining, fine-tuning, offline, and online learning. In the offline phase, specifically, Uni-o4 leverages diverse ensemble policies to address the mismatch issues between the estimated behavior policy and the offline dataset. Through a simple offline policy evaluation (OPE) approach, Uni-o4 can achieve multi-step policy improvement safely. We demonstrate that by employing the method above, the fusion of these two paradigms can yield superior offline initialization as well as stable and rapid online fine-tuning capabilities. Through real-world robot tasks, we highlight the benefits of this paradigm for rapid deployment in challenging, previously unseen real-world environments. Additionally, through comprehensive evaluations using numerous simulated benchmarks, we substantiate that our method achieves state-of-the-art performance in both offline and offline-to-online fine-tuning learning. Our website: https://lei-kun.github.io/uni-o4/ .

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

Direct Preference Optimization (DPO) is a widely used offline preference optimization algorithm that reparameterizes reward functions in reinforcement learning from human feedback (RLHF) to enhance simplicity and training stability. In this work, we propose SimPO, a simpler yet more effective approach. The effectiveness of SimPO is attributed to a key design: using the average log probability of a sequence as the implicit reward. This reward formulation better aligns with model generation and eliminates the need for a reference model, making it more compute and memory efficient. Additionally, we introduce a target reward margin to the Bradley-Terry objective to encourage a larger margin between the winning and losing responses, further enhancing the algorithm's performance. We compare SimPO to DPO and its latest variants across various state-of-the-art training setups, including both base and instruction-tuned models like Mistral and Llama3. We evaluated on extensive instruction-following benchmarks, including AlpacaEval 2, MT-Bench, and the recent challenging Arena-Hard benchmark. Our results demonstrate that SimPO consistently and significantly outperforms existing approaches without substantially increasing response length. Specifically, SimPO outperforms DPO by up to 6.4 points on AlpacaEval 2 and by up to 7.5 points on Arena-Hard. Our top-performing model, built on Llama3-8B-Instruct, achieves a remarkable 44.7 length-controlled win rate on AlpacaEval 2 -- surpassing Claude 3 Opus on the leaderboard, and a 33.8 win rate on Arena-Hard -- making it the strongest 8B open-source model.

We propose a new family of policy gradient methods for reinforcement learning, which alternate between sampling data through interaction with the environment, and optimizing a "surrogate" objective function using stochastic gradient ascent. Whereas standard policy gradient methods perform one gradient update per data sample, we propose a novel objective function that enables multiple epochs of minibatch updates. The new methods, which we call proximal policy optimization (PPO), have some of the benefits of trust region policy optimization (TRPO), but they are much simpler to implement, more general, and have better sample complexity (empirically). Our experiments test PPO on a collection of benchmark tasks, including simulated robotic locomotion and Atari game playing, and we show that PPO outperforms other online policy gradient methods, and overall strikes a favorable balance between sample complexity, simplicity, and wall-time.

Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Large language models (LLMs) have shown remarkable instruction-following capabilities and achieved impressive performances in various applications. However, the performances of LLMs depend heavily on the instructions given to them, which are typically manually tuned with substantial human efforts. Recent work has used the query-efficient Bayesian optimization (BO) algorithm to automatically optimize the instructions given to black-box LLMs. However, BO usually falls short when optimizing highly sophisticated (e.g., high-dimensional) objective functions, such as the functions mapping an instruction to the performance of an LLM. This is mainly due to the limited expressive power of the Gaussian process (GP) which is used by BO as a surrogate to model the objective function. Meanwhile, it has been repeatedly shown that neural networks (NNs), especially pre-trained transformers, possess strong expressive power and can model highly complex functions. So, we adopt a neural bandit algorithm which replaces the GP in BO by an NN surrogate to optimize instructions for black-box LLMs. More importantly, the neural bandit algorithm allows us to naturally couple the NN surrogate with the hidden representation learned by a pre-trained transformer (i.e., an open-source LLM), which significantly boosts its performance. These motivate us to propose our INSTruction optimization usIng Neural bandits Coupled with Transformers (INSTINCT) algorithm. We perform instruction optimization for ChatGPT and use extensive experiments to show that INSTINCT consistently outperforms baselines in different tasks, e.g., various instruction induction tasks and the task of improving zero-shot chain-of-thought instructions. Our code is available at https://github.com/xqlin98/INSTINCT.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Aligning language models (LMs) with curated human feedback is critical to control their behaviors in real-world applications. Several recent policy optimization methods, such as DPO and SLiC, serve as promising alternatives to the traditional Reinforcement Learning from Human Feedback (RLHF) approach. In practice, human feedback often comes in a format of a ranked list over multiple responses to amortize the cost of reading prompt. Multiple responses can also be ranked by reward models or AI feedback. There lacks such a study on directly fitting upon a list of responses. In this work, we formulate the LM alignment as a listwise ranking problem and describe the Listwise Preference Optimization (LiPO) framework, where the policy can potentially learn more effectively from a ranked list of plausible responses given the prompt. This view draws an explicit connection to Learning-to-Rank (LTR), where most existing preference optimization work can be mapped to existing ranking objectives, especially pairwise ones. Following this connection, we provide an examination of ranking objectives that are not well studied for LM alignment withDPO and SLiC as special cases when list size is two. In particular, we highlight a specific method, LiPO-{\lambda}, which leverages a state-of-the-art listwise ranking objective and weights each preference pair in a more advanced manner. We show that LiPO-{\lambda} can outperform DPO and SLiC by a clear margin on two preference alignment tasks.

Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives has shown promise, it suffers from "reward hacking" and may not generalize well to unseen prompt distributions. In this work, we propose Reward-based Noise Optimization (ReNO), a novel approach that enhances T2I models at inference by optimizing the initial noise based on the signal from one or multiple human preference reward models. Remarkably, solving this optimization problem with gradient ascent for 50 iterations yields impressive results on four different one-step models across two competitive benchmarks, T2I-CompBench and GenEval. Within a computational budget of 20-50 seconds, ReNO-enhanced one-step models consistently surpass the performance of all current open-source Text-to-Image models. Extensive user studies demonstrate that our model is preferred nearly twice as often compared to the popular SDXL model and is on par with the proprietary Stable Diffusion 3 with 8B parameters. Moreover, given the same computational resources, a ReNO-optimized one-step model outperforms widely-used open-source models such as SDXL and PixArt-alpha, highlighting the efficiency and effectiveness of ReNO in enhancing T2I model performance at inference time. Code is available at https://github.com/ExplainableML/ReNO.

As Large Language Models (LLMs) demonstrate extensive capability in learning from documents, LLM unlearning becomes an increasingly important research area to address concerns of LLMs in terms of privacy, copyright, etc. A conventional LLM unlearning task typically involves two goals: (1) The target LLM should forget the knowledge in the specified forget documents, and (2) it should retain the other knowledge that the LLM possesses, for which we assume access to a small number of retain documents. To achieve both goals, a mainstream class of LLM unlearning methods introduces an optimization framework with a combination of two objectives - maximizing the prediction loss on the forget documents while minimizing that on the retain documents, which suffers from two challenges, degenerated output and catastrophic forgetting. In this paper, we propose a novel unlearning framework called Unlearning from Logit Difference (ULD), which introduces an assistant LLM that aims to achieve the opposite of the unlearning goals: remembering the forget documents and forgetting the retain knowledge. ULD then derives the unlearned LLM by computing the logit difference between the target and the assistant LLMs. We show that such reversed objectives would naturally resolve both aforementioned challenges while significantly improving the training efficiency. Extensive experiments demonstrate that our method efficiently achieves the intended forgetting while preserving the LLM's overall capabilities, reducing training time by more than threefold. Notably, our method loses 0% of model utility on the ToFU benchmark, whereas baseline methods may sacrifice 17% of utility on average to achieve comparable forget quality. Our code will be publicly available at https://github.com/UCSB-NLP-Chang/ULD.

Fine-tuning text-to-image models with reward functions trained on human feedback data has proven effective for aligning model behavior with human intent. However, excessive optimization with such reward models, which serve as mere proxy objectives, can compromise the performance of fine-tuned models, a phenomenon known as reward overoptimization. To investigate this issue in depth, we introduce the Text-Image Alignment Assessment (TIA2) benchmark, which comprises a diverse collection of text prompts, images, and human annotations. Our evaluation of several state-of-the-art reward models on this benchmark reveals their frequent misalignment with human assessment. We empirically demonstrate that overoptimization occurs notably when a poorly aligned reward model is used as the fine-tuning objective. To address this, we propose TextNorm, a simple method that enhances alignment based on a measure of reward model confidence estimated across a set of semantically contrastive text prompts. We demonstrate that incorporating the confidence-calibrated rewards in fine-tuning effectively reduces overoptimization, resulting in twice as many wins in human evaluation for text-image alignment compared against the baseline reward models.

The alignment of language models with human preferences is vital for their application in real-world tasks. The problem is formulated as optimizing the model's policy to maximize the expected reward that reflects human preferences with minimal deviation from the initial policy. While considered as a straightforward solution, reinforcement learning (RL) suffers from high variance in policy updates, which impedes efficient policy improvement. Recently, direct preference optimization (DPO) was proposed to directly optimize the policy from preference data. Though simple to implement, DPO is derived based on the optimal policy that is not assured to be achieved in practice, which undermines its convergence to the intended solution. In this paper, we propose efficient exact optimization (EXO) of the alignment objective. We prove that EXO is guaranteed to optimize in the same direction as the RL algorithms asymptotically for arbitary parametrization of the policy, while enables efficient optimization by circumventing the complexities associated with RL algorithms. We compare our method to DPO with both theoretical and empirical analyses, and further demonstrate the advantages of our method over existing approaches on realistic human preference data.

Direct preference optimization (DPO) has shown to be an effective method for large language model (LLM) alignment. Recent works have attempted to apply DPO to multimodal scenarios but have found it challenging to achieve consistent improvement. Through a comparative experiment, we identify the unconditional preference problem in multimodal preference optimization, where the model overlooks the image condition. To address this problem, we propose mDPO, a multimodal DPO objective that prevents the over-prioritization of language-only preferences by also optimizing image preference. Moreover, we introduce a reward anchor that forces the reward to be positive for chosen responses, thereby avoiding the decrease in their likelihood -- an intrinsic problem of relative preference optimization. Experiments on two multimodal LLMs of different sizes and three widely used benchmarks demonstrate that mDPO effectively addresses the unconditional preference problem in multimodal preference optimization and significantly improves model performance, particularly in reducing hallucination.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

This paper introduces PeriodWave-Turbo, a high-fidelity and high-efficient waveform generation model via adversarial flow matching optimization. Recently, conditional flow matching (CFM) generative models have been successfully adopted for waveform generation tasks, leveraging a single vector field estimation objective for training. Although these models can generate high-fidelity waveform signals, they require significantly more ODE steps compared to GAN-based models, which only need a single generation step. Additionally, the generated samples often lack high-frequency information due to noisy vector field estimation, which fails to ensure high-frequency reproduction. To address this limitation, we enhance pre-trained CFM-based generative models by incorporating a fixed-step generator modification. We utilized reconstruction losses and adversarial feedback to accelerate high-fidelity waveform generation. Through adversarial flow matching optimization, it only requires 1,000 steps of fine-tuning to achieve state-of-the-art performance across various objective metrics. Moreover, we significantly reduce inference speed from 16 steps to 2 or 4 steps. Additionally, by scaling up the backbone of PeriodWave from 29M to 70M parameters for improved generalization, PeriodWave-Turbo achieves unprecedented performance, with a perceptual evaluation of speech quality (PESQ) score of 4.454 on the LibriTTS dataset. Audio samples, source code and checkpoints will be available at https://github.com/sh-lee-prml/PeriodWave.

Recent studies have shown that Large Vision-Language Models (VLMs) tend to neglect image content and over-rely on language-model priors, resulting in errors in visually grounded tasks and hallucinations. We hypothesize that this issue arises because existing VLMs are not explicitly trained to generate texts that are accurately grounded in fine-grained image details. To enhance visual feedback during VLM training, we propose S-VCO (Symmetrical Visual Contrastive Optimization), a novel finetuning objective that steers the model toward capturing important visual details and aligning them with corresponding text tokens. To further facilitate this detailed alignment, we introduce MVC, a paired image-text dataset built by automatically filtering and augmenting visual counterfactual data to challenge the model with hard contrastive cases involving Minimal Visual Contrasts. Experiments show that our method consistently improves VLM performance across diverse benchmarks covering various abilities and domains, achieving up to a 22% reduction in hallucinations, and significant gains in vision-centric and general tasks. Notably, these improvements become increasingly pronounced in benchmarks with higher visual dependency. In short, S-VCO offers a significant enhancement of VLM's visually-dependent task performance while retaining or even improving the model's general abilities. We opensource our code at https://s-vco.github.io/

While likelihood-based generative models, particularly diffusion and autoregressive models, have achieved remarkable fidelity in visual generation, the maximum likelihood estimation (MLE) objective inherently suffers from a mode-covering tendency that limits the generation quality under limited model capacity. In this work, we propose Direct Discriminative Optimization (DDO) as a unified framework that bridges likelihood-based generative training and the GAN objective to bypass this fundamental constraint. Our key insight is to parameterize a discriminator implicitly using the likelihood ratio between a learnable target model and a fixed reference model, drawing parallels with the philosophy of Direct Preference Optimization (DPO). Unlike GANs, this parameterization eliminates the need for joint training of generator and discriminator networks, allowing for direct, efficient, and effective finetuning of a well-trained model to its full potential beyond the limits of MLE. DDO can be performed iteratively in a self-play manner for progressive model refinement, with each round requiring less than 1% of pretraining epochs. Our experiments demonstrate the effectiveness of DDO by significantly advancing the previous SOTA diffusion model EDM, reducing FID scores from 1.79/1.58 to new records of 1.30/0.97 on CIFAR-10/ImageNet-64 datasets, and by consistently improving both guidance-free and CFG-enhanced FIDs of visual autoregressive models on ImageNet 256times256.

Distributed optimization problems usually face inexact communication issues induced by communication quantization, differential privacy protection, or channels noise. Most existing algorithms need two-timescale setting of the stepsize of gradient descent and the parameter of noise suppression to ensure the convergence to the optimal solution. In this paper, we propose two single-timescale algorithms, VRA-DGT and VRA--DSGT, for distributed deterministic and stochastic optimization problems with inexact communication respectively. VRA-DGT integrates the Variance-Reduced Aggregation (VRA) mechanism with the distributed gradient tracking framework, which achieves a convergence rate of Oleft(k^{-1}right) in the mean-square sense when the objective function is strongly convex and smooth. For distributed stochastic optimization problem,VRA-DSGT, where a hybrid variance reduction technique has been introduced in VRA-DGT, VRA-DGT,, maintains the convergence rate of Oleft(k^{-1}right) for strongly convex and smooth objective function. Simulated experiments on logistic regression problem with real-world data verify the effectiveness of the proposed algorithms.

Fine-tuning large language models (LLMs) on human preferences, typically through reinforcement learning from human feedback (RLHF), has proven successful in enhancing their capabilities. However, ensuring the safety of LLMs during the fine-tuning remains a critical concern, and mitigating the potential conflicts in safety and helpfulness is costly in RLHF. To address this issue, we propose a supervised learning framework called Bi-Factorial Preference Optimization (BFPO), which re-parameterizes a joint RLHF objective of both safety and helpfulness into a single supervised learning objective. In the supervised optimization, a labeling function is used to capture global preferences ranking to balance both safety and helpfulness. To evaluate BFPO, we develop a benchmark including comprehensive discriminative and generative tasks for helpfulness and harmlessness. The results indicate that our method significantly outperforms existing approaches in both safety and helpfulness. Moreover, BFPO eliminates the need for human prompting and annotation in LLM fine-tuning while achieving the same level of safety as methods that heavily rely on human labor, with less than 10% of the computational resources. The training recipes and models will be released.

Adapting Large Language Models (LLMs) for agent tasks is critical in developing language agents. Direct Preference Optimization (DPO) is a promising technique for this adaptation with the alleviation of compounding errors, offering a means to directly optimize Reinforcement Learning (RL) objectives. However, applying DPO to multi-turn tasks presents challenges due to the inability to cancel the partition function. Overcoming this obstacle involves making the partition function independent of the current state and addressing length disparities between preferred and dis-preferred trajectories. In this light, we replace the policy constraint with the state-action occupancy measure constraint in the RL objective and add length normalization to the Bradley-Terry model, yielding a novel loss function named DMPO for multi-turn agent tasks with theoretical explanations. Extensive experiments on three multi-turn agent task datasets confirm the effectiveness and superiority of the DMPO loss. The code is available at https://github.com/swt-user/DMPO.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

Many problems in machine learning involve bilevel optimization (BLO), including hyperparameter optimization, meta-learning, and dataset distillation. Bilevel problems consist of two nested sub-problems, called the outer and inner problems, respectively. In practice, often at least one of these sub-problems is overparameterized. In this case, there are many ways to choose among optima that achieve equivalent objective values. Inspired by recent studies of the implicit bias induced by optimization algorithms in single-level optimization, we investigate the implicit bias of gradient-based algorithms for bilevel optimization. We delineate two standard BLO methods -- cold-start and warm-start -- and show that the converged solution or long-run behavior depends to a large degree on these and other algorithmic choices, such as the hypergradient approximation. We also show that the inner solutions obtained by warm-start BLO can encode a surprising amount of information about the outer objective, even when the outer parameters are low-dimensional. We believe that implicit bias deserves as central a role in the study of bilevel optimization as it has attained in the study of single-level neural net optimization.

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

Authorship obfuscation aims to disguise the identity of an author within a text by altering the writing style, vocabulary, syntax, and other linguistic features associated with the text author. This alteration needs to balance privacy and utility. While strong obfuscation techniques can effectively hide the author's identity, they often degrade the quality and usefulness of the text for its intended purpose. Conversely, maintaining high utility tends to provide insufficient privacy, making it easier for an adversary to de-anonymize the author. Thus, achieving an optimal trade-off between these two conflicting objectives is crucial. In this paper, we propose TAROT: Task-Oriented Authorship Obfuscation Using Policy Optimization, a new unsupervised authorship obfuscation method whose goal is to optimize the privacy-utility trade-off by regenerating the entire text considering its downstream utility. Our approach leverages policy optimization as a fine-tuning paradigm over small language models in order to rewrite texts by preserving author identity and downstream task utility. We show that our approach largely reduce the accuracy of attackers while preserving utility. We make our code and models publicly available.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Several first order stochastic optimization methods commonly used in the Euclidean domain such as stochastic gradient descent (SGD), accelerated gradient descent or variance reduced methods have already been adapted to certain Riemannian settings. However, some of the most popular of these optimization tools - namely Adam , Adagrad and the more recent Amsgrad - remain to be generalized to Riemannian manifolds. We discuss the difficulty of generalizing such adaptive schemes to the most agnostic Riemannian setting, and then provide algorithms and convergence proofs for geodesically convex objectives in the particular case of a product of Riemannian manifolds, in which adaptivity is implemented across manifolds in the cartesian product. Our generalization is tight in the sense that choosing the Euclidean space as Riemannian manifold yields the same algorithms and regret bounds as those that were already known for the standard algorithms. Experimentally, we show faster convergence and to a lower train loss value for Riemannian adaptive methods over their corresponding baselines on the realistic task of embedding the WordNet taxonomy in the Poincare ball.

We present a generalization of the proximal operator defined through a convex combination of convex objectives, where the coefficients are updated in a minimax fashion. We prove that this new operator is Bregman firmly nonexpansive with respect to a Bregman divergence that combines Euclidean and information geometries.

Large language models (LLMs) fine-tuned with alignment techniques, such as reinforcement learning from human feedback, have been instrumental in developing some of the most capable AI systems to date. Despite their success, existing methods typically rely on simple binary labels, such as those indicating preferred outputs in pairwise preferences, which fail to capture the subtle differences in relative quality between pairs. To address this limitation, we introduce an approach called Margin Matching Preference Optimization (MMPO), which incorporates relative quality margins into optimization, leading to improved LLM policies and reward models. Specifically, given quality margins in pairwise preferences, we design soft target probabilities based on the Bradley-Terry model, which are then used to train models with the standard cross-entropy objective. Experiments with both human and AI feedback data demonstrate that MMPO consistently outperforms baseline methods, often by a substantial margin, on popular benchmarks including MT-bench and RewardBench. Notably, the 7B model trained with MMPO achieves state-of-the-art performance on RewardBench as of June 2024, outperforming other models of the same scale. Our analysis also shows that MMPO is more robust to overfitting, leading to better-calibrated models.

Bayesian filtering approximates the true underlying behavior of a time-varying system by inverting an explicit generative model to convert noisy measurements into state estimates. This process typically requires either storage, inversion, and multiplication of large matrices or Monte Carlo estimation, neither of which are practical in high-dimensional state spaces such as the weight spaces of artificial neural networks. Here, we frame the standard Bayesian filtering problem as optimization over a time-varying objective. Instead of maintaining matrices for the filtering equations or simulating particles, we specify an optimizer that defines the Bayesian filter implicitly. In the linear-Gaussian setting, we show that every Kalman filter has an equivalent formulation using K steps of gradient descent. In the nonlinear setting, our experiments demonstrate that our framework results in filters that are effective, robust, and scalable to high-dimensional systems, comparing well against the standard toolbox of Bayesian filtering solutions. We suggest that it is easier to fine-tune an optimizer than it is to specify the correct filtering equations, making our framework an attractive option for high-dimensional filtering problems.

Behavior of neural networks is irremediably determined by the specific loss and data used during training. However it is often desirable to tune the model at inference time based on external factors such as preferences of the user or dynamic characteristics of the data. This is especially important to balance the perception-distortion trade-off of ill-posed image-to-image translation tasks. In this work, we propose to optimize a parametric tunable convolutional layer, which includes a number of different kernels, using a parametric multi-loss, which includes an equal number of objectives. Our key insight is to use a shared set of parameters to dynamically interpolate both the objectives and the kernels. During training, these parameters are sampled at random to explicitly optimize all possible combinations of objectives and consequently disentangle their effect into the corresponding kernels. During inference, these parameters become interactive inputs of the model hence enabling reliable and consistent control over the model behavior. Extensive experimental results demonstrate that our tunable convolutions effectively work as a drop-in replacement for traditional convolutions in existing neural networks at virtually no extra computational cost, outperforming state-of-the-art control strategies in a wide range of applications; including image denoising, deblurring, super-resolution, and style transfer.

We consider stochastic unconstrained bilevel optimization problems when only the first-order gradient oracles are available. While numerous optimization methods have been proposed for tackling bilevel problems, existing methods either tend to require possibly expensive calculations regarding Hessians of lower-level objectives, or lack rigorous finite-time performance guarantees. In this work, we propose a Fully First-order Stochastic Approximation (F2SA) method, and study its non-asymptotic convergence properties. Specifically, we show that F2SA converges to an epsilon-stationary solution of the bilevel problem after epsilon^{-7/2}, epsilon^{-5/2}, and epsilon^{-3/2} iterations (each iteration using O(1) samples) when stochastic noises are in both level objectives, only in the upper-level objective, and not present (deterministic settings), respectively. We further show that if we employ momentum-assisted gradient estimators, the iteration complexities can be improved to epsilon^{-5/2}, epsilon^{-4/2}, and epsilon^{-3/2}, respectively. We demonstrate even superior practical performance of the proposed method over existing second-order based approaches on MNIST data-hypercleaning experiments.

Automated alignment develops alignment systems with minimal human intervention. The key to automated alignment lies in providing learnable and accurate preference signals for preference learning without human annotation. In this paper, we introduce Self-Steering Optimization (SSO), an algorithm that autonomously generates high-quality preference signals based on predefined principles during iterative training, eliminating the need for manual annotation. SSO maintains the accuracy of signals by ensuring a consistent gap between chosen and rejected responses while keeping them both on-policy to suit the current policy model's learning capacity. SSO can benefit the online and offline training of the policy model, as well as enhance the training of reward models. We validate the effectiveness of SSO with two foundation models, Qwen2 and Llama3.1, indicating that it provides accurate, on-policy preference signals throughout iterative training. Without any manual annotation or external models, SSO leads to significant performance improvements across six subjective or objective benchmarks. Besides, the preference data generated by SSO significantly enhanced the performance of the reward model on Rewardbench. Our work presents a scalable approach to preference optimization, paving the way for more efficient and effective automated alignment.

Large language models in the past have typically relied on some form of reinforcement learning with human feedback (RLHF) to better align model responses with human preferences. However, because of oft-observed instabilities when implementing these RLHF pipelines, various reparameterization techniques have recently been introduced to sidestep the need for separately learning an RL reward model. Instead, directly fine-tuning for human preferences is achieved via the minimization of a single closed-form training objective, a process originally referred to as direct preference optimization (DPO) and followed by several notable descendants. Although effective in certain real-world settings, we introduce new evaluation criteria that serve to highlight unresolved shortcomings in the ability of existing DPO methods to interpolate between a pre-trained reference model and empirical measures of human preferences, as well as unavoidable trade-offs in how low- and high-quality responses are regularized and constraints are handled. Our insights then motivate an alternative DPO-like loss that provably mitigates these limitations. Empirical results serve to corroborate notable aspects of our analyses.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

Scene flow estimation is a long-standing problem in computer vision, where the goal is to find the 3D motion of a scene from its consecutive observations. Recently, there have been efforts to compute the scene flow from 3D point clouds. A common approach is to train a regression model that consumes source and target point clouds and outputs the per-point translation vector. An alternative is to learn point matches between the point clouds concurrently with regressing a refinement of the initial correspondence flow. In both cases, the learning task is very challenging since the flow regression is done in the free 3D space, and a typical solution is to resort to a large annotated synthetic dataset. We introduce SCOOP, a new method for scene flow estimation that can be learned on a small amount of data without employing ground-truth flow supervision. In contrast to previous work, we train a pure correspondence model focused on learning point feature representation and initialize the flow as the difference between a source point and its softly corresponding target point. Then, in the run-time phase, we directly optimize a flow refinement component with a self-supervised objective, which leads to a coherent and accurate flow field between the point clouds. Experiments on widespread datasets demonstrate the performance gains achieved by our method compared to existing leading techniques while using a fraction of the training data. Our code is publicly available at https://github.com/itailang/SCOOP.

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO framework that leverages Pre-trained Transformers for Bayesian Optimization (PFN4sBO) to address constrained optimization problems in engineering. Unlike traditional BO methods that rely heavily on Gaussian Processes (GPs), our approach utilizes Prior-data Fitted Networks (PFNs), a type of pre-trained transformer, to infer constraints and optimal solutions without requiring any iterative retraining. We demonstrate the effectiveness of PFN-based BO through a comprehensive benchmark consisting of fifteen test problems, encompassing synthetic, structural, and engineering design challenges. Our findings reveal that PFN-based BO significantly outperforms Constrained Expected Improvement and Penalty-based GP methods by an order of magnitude in speed while also outperforming them in accuracy in identifying feasible, optimal solutions. This work showcases the potential of integrating machine learning with optimization techniques in solving complex engineering challenges, heralding a significant leap forward for optimization methodologies, opening up the path to using PFN-based BO to solve other challenging problems, such as enabling user-guided interactive BO, adaptive experiment design, or multi-objective design optimization. Additionally, we establish a benchmark for evaluating BO algorithms in engineering design, offering a robust platform for future research and development in the field. This benchmark framework for evaluating new BO algorithms in engineering design will be published at https://github.com/rosenyu304/BOEngineeringBenchmark.

Federated optimization studies the problem of collaborative function optimization among multiple clients (e.g. mobile devices or organizations) under the coordination of a central server. Since the data is collected separately by each client and always remains decentralized, federated optimization preserves data privacy and allows for large-scale computing, which makes it a promising decentralized machine learning paradigm. Though it is often deployed for tasks that are online in nature, e.g., next-word prediction on keyboard apps, most works formulate it as an offline problem. The few exceptions that consider federated bandit optimization are limited to very simplistic function classes, e.g., linear, generalized linear, or non-parametric function class with bounded RKHS norm, which severely hinders its practical usage. In this paper, we propose a new algorithm, named Fed-GO-UCB, for federated bandit optimization with generic non-linear objective function. Under some mild conditions, we rigorously prove that Fed-GO-UCB is able to achieve sub-linear rate for both cumulative regret and communication cost. At the heart of our theoretical analysis are distributed regression oracle and individual confidence set construction, which can be of independent interests. Empirical evaluations also demonstrate the effectiveness of the proposed algorithm.

Hardware security vulnerabilities in computing systems compromise the security defenses of not only the hardware but also the software running on it. Recent research has shown that hardware fuzzing is a promising technique to efficiently detect such vulnerabilities in large-scale designs such as modern processors. However, the current fuzzing techniques do not adjust their strategies dynamically toward faster and higher design space exploration, resulting in slow vulnerability detection, evident through their low design coverage. To address this problem, we propose PSOFuzz, which uses particle swarm optimization (PSO) to schedule the mutation operators and to generate initial input programs dynamically with the objective of detecting vulnerabilities quickly. Unlike traditional PSO, which finds a single optimal solution, we use a modified PSO that dynamically computes the optimal solution for selecting mutation operators required to explore new design regions in hardware. We also address the challenge of inefficient initial seed generation by employing PSO-based seed generation. Including these optimizations, our final formulation outperforms fuzzers without PSO. Experiments show that PSOFuzz achieves up to 15.25times speedup for vulnerability detection and up to 2.22times speedup for coverage compared to the state-of-the-art simulation-based hardware fuzzer.

In machine learning applications, it is well known that carefully designed learning rate (step size) schedules can significantly improve the convergence of commonly used first-order optimization algorithms. Therefore how to set step size adaptively becomes an important research question. A popular and effective method is the Polyak step size, which sets step size adaptively for gradient descent or stochastic gradient descent without the need to estimate the smoothness parameter of the objective function. However, there has not been a principled way to generalize the Polyak step size for algorithms with momentum accelerations. This paper presents a general framework to set the learning rate adaptively for first-order optimization methods with momentum, motivated by the derivation of Polyak step size. It is shown that the resulting methods are much less sensitive to the choice of momentum parameter and may avoid the oscillation of the heavy-ball method on ill-conditioned problems. These adaptive step sizes are further extended to the stochastic settings, which are attractive choices for stochastic gradient descent with momentum. Our methods are demonstrated to be more effective for stochastic gradient methods than prior adaptive step size algorithms in large-scale machine learning tasks.

Exploiting partial first-order information in a cyclic way is arguably the most natural strategy to obtain scalable first-order methods. However, despite their wide use in practice, cyclic schemes are far less understood from a theoretical perspective than their randomized counterparts. Motivated by a recent success in analyzing an extrapolated cyclic scheme for generalized variational inequalities, we propose an Accelerated Cyclic Coordinate Dual Averaging with Extrapolation (A-CODER) method for composite convex optimization, where the objective function can be expressed as the sum of a smooth convex function accessible via a gradient oracle and a convex, possibly nonsmooth, function accessible via a proximal oracle. We show that A-CODER attains the optimal convergence rate with improved dependence on the number of blocks compared to prior work. Furthermore, for the setting where the smooth component of the objective function is expressible in a finite sum form, we introduce a variance-reduced variant of A-CODER, VR-A-CODER, with state-of-the-art complexity guarantees. Finally, we demonstrate the effectiveness of our algorithms through numerical experiments.

During recent years the interest of optimization and machine learning communities in high-probability convergence of stochastic optimization methods has been growing. One of the main reasons for this is that high-probability complexity bounds are more accurate and less studied than in-expectation ones. However, SOTA high-probability non-asymptotic convergence results are derived under strong assumptions such as the boundedness of the gradient noise variance or of the objective's gradient itself. In this paper, we propose several algorithms with high-probability convergence results under less restrictive assumptions. In particular, we derive new high-probability convergence results under the assumption that the gradient/operator noise has bounded central alpha-th moment for alpha in (1,2] in the following setups: (i) smooth non-convex / Polyak-Lojasiewicz / convex / strongly convex / quasi-strongly convex minimization problems, (ii) Lipschitz / star-cocoercive and monotone / quasi-strongly monotone variational inequalities. These results justify the usage of the considered methods for solving problems that do not fit standard functional classes studied in stochastic optimization.

Query-by-document (QBD) retrieval is an Information Retrieval task in which a seed document acts as the query and the goal is to retrieve related documents -- it is particular common in professional search tasks. In this work we improve the retrieval effectiveness of the BERT re-ranker, proposing an extension to its fine-tuning step to better exploit the context of queries. To this end, we use an additional document-level representation learning objective besides the ranking objective when fine-tuning the BERT re-ranker. Our experiments on two QBD retrieval benchmarks show that the proposed multi-task optimization significantly improves the ranking effectiveness without changing the BERT re-ranker or using additional training samples. In future work, the generalizability of our approach to other retrieval tasks should be further investigated.

Large language models (LLMs) are fine-tuned using human comparison data with Reinforcement Learning from Human Feedback (RLHF) methods to make them better aligned with users' preferences. In contrast to LLMs, human preference learning has not been widely explored in text-to-image diffusion models; the best existing approach is to fine-tune a pretrained model using carefully curated high quality images and captions to improve visual appeal and text alignment. We propose Diffusion-DPO, a method to align diffusion models to human preferences by directly optimizing on human comparison data. Diffusion-DPO is adapted from the recently developed Direct Preference Optimization (DPO), a simpler alternative to RLHF which directly optimizes a policy that best satisfies human preferences under a classification objective. We re-formulate DPO to account for a diffusion model notion of likelihood, utilizing the evidence lower bound to derive a differentiable objective. Using the Pick-a-Pic dataset of 851K crowdsourced pairwise preferences, we fine-tune the base model of the state-of-the-art Stable Diffusion XL (SDXL)-1.0 model with Diffusion-DPO. Our fine-tuned base model significantly outperforms both base SDXL-1.0 and the larger SDXL-1.0 model consisting of an additional refinement model in human evaluation, improving visual appeal and prompt alignment. We also develop a variant that uses AI feedback and has comparable performance to training on human preferences, opening the door for scaling of diffusion model alignment methods.

Direct Preference Optimization (DPO) has become a widely used training method for the instruction fine-tuning of large language models (LLMs). In this work, we explore an under-investigated aspect of DPO - its dependency on the reference model or policy. Such reference policies, typically instantiated as the model to be further fine-tuned, are important since they can impose an upper limit on DPO's effectiveness. Therefore, we address three related research questions in this work. First, we explore the optimal strength of the KL-divergence constraint in DPO, which penalizes deviations from the reference policy, and find that DPO is sensitive to this strength. Next, we examine the necessity of reference policies for instruction fine-tuning by providing both theoretical and empirical comparisons between DPO and related learning objectives, demonstrating DPO's superiority. Additionally, we investigate whether DPO benefits from stronger reference policies, finding that a stronger reference policy can lead to improved performance, but only when it is similar to the model being fine-tuned. Our findings highlight the confounding role of reference policies in DPO and offer insights for best practices, while also identifying open research questions for future studies.

This work considers gradient-based mesh optimization, where we iteratively optimize for a 3D surface mesh by representing it as the isosurface of a scalar field, an increasingly common paradigm in applications including photogrammetry, generative modeling, and inverse physics. Existing implementations adapt classic isosurface extraction algorithms like Marching Cubes or Dual Contouring; these techniques were designed to extract meshes from fixed, known fields, and in the optimization setting they lack the degrees of freedom to represent high-quality feature-preserving meshes, or suffer from numerical instabilities. We introduce FlexiCubes, an isosurface representation specifically designed for optimizing an unknown mesh with respect to geometric, visual, or even physical objectives. Our main insight is to introduce additional carefully-chosen parameters into the representation, which allow local flexible adjustments to the extracted mesh geometry and connectivity. These parameters are updated along with the underlying scalar field via automatic differentiation when optimizing for a downstream task. We base our extraction scheme on Dual Marching Cubes for improved topological properties, and present extensions to optionally generate tetrahedral and hierarchically-adaptive meshes. Extensive experiments validate FlexiCubes on both synthetic benchmarks and real-world applications, showing that it offers significant improvements in mesh quality and geometric fidelity.

In this paper, we give an in-depth analysis on the mathematical problem formulations and the probabilistic optimization explorations for some of the key components in Transformer model [33] in the field of generative AI. We explore and discuss some potential further enhancement for current state of the art methods for some key underlying technologies of generative AI models from algorithmic and probabilistic optimization perspective. In particular, we present an optimal solution for sub-word encoding (SWE) based on similar initial settings as that of byte-pair encoding (BPE) algorithm in [9] with similar objectives as that of WordPiece approach in [28, 31] to maximize the likelihood of the training data. We also present cross entropy optimization method to optimize hyperparameters for word2vec model [17]. In addition, we propose a factored combination of rotary positional encoding (RoPE) [32] and attention with linear biases (ALiBi) [23] with a harmonic series. We also present a probabilistic FlashAttention [6, 7] (PrFlashAttention) method with a probability distribution over block distances in the matrix to decide which block is likely to participate in a given round of attention computation while maintaining the lower triangle shape of the tensor for autoregressive language models by re-shaping the tensors. Finally, we present staircase adaptive quantization (SAQ) of key-value (KV) cache for multi-query attention (MQA) based on the framework presented in [16] to have gradual quantization degradation while achieving reasonable model quality and cost savings.

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

Reinforcement Learning from Human Feedback (RLHF) has been a crucial component in the recent success of Large Language Models. However, RLHF is know to exploit biases in human preferences, such as verbosity. A well-formatted and eloquent answer is often more highly rated by users, even when it is less helpful and objective. A number of approaches have been developed to control those biases in the classical RLHF literature, but the problem remains relatively under-explored for Direct Alignment Algorithms such as Direct Preference Optimization (DPO). Unlike classical RLHF, DPO does not train a separate reward model or use reinforcement learning directly, so previous approaches developed to control verbosity cannot be directly applied to this setting. Our work makes several contributions. For the first time, we study the length problem in the DPO setting, showing significant exploitation in DPO and linking it to out-of-distribution bootstrapping. We then develop a principled but simple regularization strategy that prevents length exploitation, while still maintaining improvements in model quality. We demonstrate these effects across datasets on summarization and dialogue, where we achieve up to 20\% improvement in win rates when controlling for length, despite the GPT4 judge's well-known verbosity bias.

Recent months have seen the emergence of a powerful new trend in which large language models (LLMs) are augmented to become autonomous language agents capable of performing objective oriented multi-step tasks on their own, rather than merely responding to queries from human users. Most existing language agents, however, are not optimized using environment-specific rewards. Although some agents enable iterative refinement through verbal feedback, they do not reason and plan in ways that are compatible with gradient-based learning from rewards. This paper introduces a principled framework for reinforcing large language agents by learning a retrospective model, which automatically tunes the language agent prompts from environment feedback through policy gradient. Specifically, our proposed agent architecture learns from rewards across multiple environments and tasks, for fine-tuning a pre-trained language model which refines the language agent prompt by summarizing the root cause of prior failed attempts and proposing action plans. Experimental results on various tasks demonstrate that the language agents improve over time and that our approach considerably outperforms baselines that do not properly leverage gradients from the environment. This demonstrates that using policy gradient optimization to improve language agents, for which we believe our work is one of the first, seems promising and can be applied to optimize other models in the agent architecture to enhance agent performances over time.

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

The emergence of large Vision Language Models (VLMs) has broadened the scope and capabilities of single-modal Large Language Models (LLMs) by integrating visual modalities, thereby unlocking transformative cross-modal applications in a variety of real-world scenarios. Despite their impressive performance, VLMs are prone to significant hallucinations, particularly in the form of cross-modal inconsistencies. Building on the success of Reinforcement Learning from Human Feedback (RLHF) in aligning LLMs, recent advancements have focused on applying direct preference optimization (DPO) on carefully curated datasets to mitigate these issues. Yet, such approaches typically introduce preference signals in a brute-force manner, neglecting the crucial role of visual information in the alignment process. In this paper, we introduce Re-Align, a novel alignment framework that leverages image retrieval to construct a dual-preference dataset, effectively incorporating both textual and visual preference signals. We further introduce rDPO, an extension of the standard direct preference optimization that incorporates an additional visual preference objective during fine-tuning. Our experimental results demonstrate that Re-Align not only mitigates hallucinations more effectively than previous methods but also yields significant performance gains in general visual question-answering (VQA) tasks. Moreover, we show that Re-Align maintains robustness and scalability across a wide range of VLM sizes and architectures. This work represents a significant step forward in aligning multimodal LLMs, paving the way for more reliable and effective cross-modal applications. We release all the code in https://github.com/taco-group/Re-Align.

Recent advancements in timestep-distilled diffusion models have enabled high-quality image generation that rivals non-distilled multi-step models, but with significantly fewer inference steps. While such models are attractive for applications due to the low inference cost and latency, fine-tuning them with a naive diffusion objective would result in degraded and blurry outputs. An intuitive alternative is to repeat the diffusion distillation process with a fine-tuned teacher model, which produces good results but is cumbersome and computationally intensive; the distillation training usually requires magnitude higher of training compute compared to fine-tuning for specific image styles. In this paper, we present an algorithm named pairwise sample optimization (PSO), which enables the direct fine-tuning of an arbitrary timestep-distilled diffusion model. PSO introduces additional reference images sampled from the current time-step distilled model, and increases the relative likelihood margin between the training images and reference images. This enables the model to retain its few-step generation ability, while allowing for fine-tuning of its output distribution. We also demonstrate that PSO is a generalized formulation which can be flexibly extended to both offline-sampled and online-sampled pairwise data, covering various popular objectives for diffusion model preference optimization. We evaluate PSO in both preference optimization and other fine-tuning tasks, including style transfer and concept customization. We show that PSO can directly adapt distilled models to human-preferred generation with both offline and online-generated pairwise preference image data. PSO also demonstrates effectiveness in style transfer and concept customization by directly tuning timestep-distilled diffusion models.

We consider the optimization problem of the form min_{x in R^d} f(x) triangleq E_{xi} [F(x; xi)], where the component F(x;xi) is L-mean-squared Lipschitz but possibly nonconvex and nonsmooth. The recently proposed gradient-free method requires at most O( L^4 d^{3/2} epsilon^{-4} + Delta L^3 d^{3/2} delta^{-1} epsilon^{-4}) stochastic zeroth-order oracle complexity to find a (delta,epsilon)-Goldstein stationary point of objective function, where Delta = f(x_0) - inf_{x in R^d} f(x) and x_0 is the initial point of the algorithm. This paper proposes a more efficient algorithm using stochastic recursive gradient estimators, which improves the complexity to O(L^3 d^{3/2} epsilon^{-3}+ Delta L^2 d^{3/2} delta^{-1} epsilon^{-3}).

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

We introduce TangoFlux, an efficient Text-to-Audio (TTA) generative model with 515M parameters, capable of generating up to 30 seconds of 44.1kHz audio in just 3.7 seconds on a single A40 GPU. A key challenge in aligning TTA models lies in the difficulty of creating preference pairs, as TTA lacks structured mechanisms like verifiable rewards or gold-standard answers available for Large Language Models (LLMs). To address this, we propose CLAP-Ranked Preference Optimization (CRPO), a novel framework that iteratively generates and optimizes preference data to enhance TTA alignment. We demonstrate that the audio preference dataset generated using CRPO outperforms existing alternatives. With this framework, TangoFlux achieves state-of-the-art performance across both objective and subjective benchmarks. We open source all code and models to support further research in TTA generation.

Diffusion models have demonstrated significant potential in speech synthesis tasks, including text-to-speech (TTS) and voice cloning. However, their iterative denoising processes are inefficient and hinder the application of end-to-end optimization with perceptual metrics. In this paper, we propose a novel method of distilling TTS diffusion models with direct end-to-end evaluation metric optimization, achieving state-of-the-art performance. By incorporating Connectionist Temporal Classification (CTC) loss and Speaker Verification (SV) loss, our approach optimizes perceptual evaluation metrics, leading to notable improvements in word error rate and speaker similarity. Our experiments show that DMDSpeech consistently surpasses prior state-of-the-art models in both naturalness and speaker similarity while being significantly faster. Moreover, our synthetic speech has a higher level of voice similarity to the prompt than the ground truth in both human evaluation and objective speaker similarity metric. This work highlights the potential of direct metric optimization in speech synthesis, allowing models to better align with human auditory preferences. The audio samples are available at https://dmdspeech.github.io/.

Fine-grained control over large language models (LLMs) remains a significant challenge, hindering their adaptability to diverse user needs. While Reinforcement Learning from Human Feedback (RLHF) shows promise in aligning LLMs, its reliance on scalar rewards often limits its ability to capture diverse user preferences in real-world applications. To address this limitation, we introduce the Directional Preference Alignment (DPA) framework. Unlike the scalar-reward RLHF, DPA incorporates multi-objective reward modeling to represent diverse preference profiles. Additionally, DPA models user preferences as directions (i.e., unit vectors) in the reward space to achieve user-dependent preference control. Our method involves training a multi-objective reward model and then fine-tuning the LLM with a preference-conditioned variant of Rejection Sampling Finetuning (RSF), an RLHF method adopted by Llama 2. This method enjoys a better performance trade-off across various reward objectives. In comparison with the scalar-reward RLHF, DPA offers users intuitive control over LLM generation: they can arithmetically specify their desired trade-offs (e.g., more helpfulness with less verbosity). We also validate the effectiveness of DPA with real-world alignment experiments on Mistral-7B. Our method provides straightforward arithmetic control over the trade-off between helpfulness and verbosity while maintaining competitive performance with strong baselines such as Direct Preference Optimization (DPO).

The rapid rise of large language models (LLMs) has unlocked many applications but also underscores the challenge of aligning them with diverse values and preferences. Direct Preference Optimization (DPO) is central to alignment but constrained by fixed divergences and limited feature transformations. We propose DPO-Kernels, which integrates kernel methods to address these issues through four key contributions: (i) Kernelized Representations with polynomial, RBF, Mahalanobis, and spectral kernels for richer transformations, plus a hybrid loss combining embedding-based and probability-based objectives; (ii) Divergence Alternatives (Jensen-Shannon, Hellinger, Renyi, Bhattacharyya, Wasserstein, and f-divergences) for greater stability; (iii) Data-Driven Selection metrics that automatically choose the best kernel-divergence pair; and (iv) a Hierarchical Mixture of Kernels for both local precision and global modeling. Evaluations on 12 datasets demonstrate state-of-the-art performance in factuality, safety, reasoning, and instruction following. Grounded in Heavy-Tailed Self-Regularization, DPO-Kernels maintains robust generalization for LLMs, offering a comprehensive resource for further alignment research.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

The success of image generative models has enabled us to build methods that can edit images based on text or other user input. However, these methods are bespoke, imprecise, require additional information, or are limited to only 2D image edits. We present GeoDiffuser, a zero-shot optimization-based method that unifies common 2D and 3D image-based object editing capabilities into a single method. Our key insight is to view image editing operations as geometric transformations. We show that these transformations can be directly incorporated into the attention layers in diffusion models to implicitly perform editing operations. Our training-free optimization method uses an objective function that seeks to preserve object style but generate plausible images, for instance with accurate lighting and shadows. It also inpaints disoccluded parts of the image where the object was originally located. Given a natural image and user input, we segment the foreground object using SAM and estimate a corresponding transform which is used by our optimization approach for editing. GeoDiffuser can perform common 2D and 3D edits like object translation, 3D rotation, and removal. We present quantitative results, including a perceptual study, that shows how our approach is better than existing methods. Visit https://ivl.cs.brown.edu/research/geodiffuser.html for more information.

Score distillation sampling (SDS) has emerged as an effective framework in text-driven 3D editing tasks due to its inherent 3D consistency. However, existing SDS-based 3D editing methods suffer from extensive training time and lead to low-quality results, primarily because these methods deviate from the sampling dynamics of diffusion models. In this paper, we propose DreamCatalyst, a novel framework that interprets SDS-based editing as a diffusion reverse process. Our objective function considers the sampling dynamics, thereby making the optimization process of DreamCatalyst an approximation of the diffusion reverse process in editing tasks. DreamCatalyst aims to reduce training time and improve editing quality. DreamCatalyst presents two modes: (1) a faster mode, which edits the NeRF scene in only about 25 minutes, and (2) a high-quality mode, which produces superior results in less than 70 minutes. Specifically, our high-quality mode outperforms current state-of-the-art NeRF editing methods both in terms of speed and quality. See more extensive results on our project page: https://dream-catalyst.github.io.

Known for efficient computation and easy storage, hashing has been extensively explored in cross-modal retrieval. The majority of current hashing models are predicated on the premise of a direct one-to-one mapping between data points. However, in real practice, data correspondence across modalities may be partially provided. In this research, we introduce an innovative unsupervised hashing technique designed for semi-paired cross-modal retrieval tasks, named Reconstruction Relations Embedded Hashing (RREH). RREH assumes that multi-modal data share a common subspace. For paired data, RREH explores the latent consistent information of heterogeneous modalities by seeking a shared representation. For unpaired data, to effectively capture the latent discriminative features, the high-order relationships between unpaired data and anchors are embedded into the latent subspace, which are computed by efficient linear reconstruction. The anchors are sampled from paired data, which improves the efficiency of hash learning. The RREH trains the underlying features and the binary encodings in a unified framework with high-order reconstruction relations preserved. With the well devised objective function and discrete optimization algorithm, RREH is designed to be scalable, making it suitable for large-scale datasets and facilitating efficient cross-modal retrieval. In the evaluation process, the proposed is tested with partially paired data to establish its superiority over several existing methods.

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

Preference optimization, particularly through Reinforcement Learning from Human Feedback (RLHF), has achieved significant success in aligning Large Language Models (LLMs) to adhere to human intentions. Unlike offline alignment with a fixed dataset, online feedback collection from humans or AI on model generations typically leads to more capable reward models and better-aligned LLMs through an iterative process. However, achieving a globally accurate reward model requires systematic exploration to generate diverse responses that span the vast space of natural language. Random sampling from standard reward-maximizing LLMs alone is insufficient to fulfill this requirement. To address this issue, we propose a bilevel objective optimistically biased towards potentially high-reward responses to actively explore out-of-distribution regions. By solving the inner-level problem with the reparameterized reward function, the resulting algorithm, named Self-Exploring Language Models (SELM), eliminates the need for a separate RM and iteratively updates the LLM with a straightforward objective. Compared to Direct Preference Optimization (DPO), the SELM objective reduces indiscriminate favor of unseen extrapolations and enhances exploration efficiency. Our experimental results demonstrate that when finetuned on Zephyr-7B-SFT and Llama-3-8B-Instruct models, SELM significantly boosts the performance on instruction-following benchmarks such as MT-Bench and AlpacaEval 2.0, as well as various standard academic benchmarks in different settings. Our code and models are available at https://github.com/shenao-zhang/SELM.

Dynamic imaging addresses the recovery of a time-varying 2D or 3D object at each time instant using its undersampled measurements. In particular, in the case of dynamic tomography, only a single projection at a single view angle may be available at a time, making the problem severely ill-posed. In this work, we propose an approach, RED-PSM, which combines for the first time two powerful techniques to address this challenging imaging problem. The first, are partially separable models, which have been used to efficiently introduce a low-rank prior for the spatio-temporal object. The second is the recent Regularization by Denoising (RED), which provides a flexible framework to exploit the impressive performance of state-of-the-art image denoising algorithms, for various inverse problems. We propose a partially separable objective with RED and a computationally efficient and scalable optimization scheme with variable splitting and ADMM. Theoretical analysis proves the convergence of our objective to a value corresponding to a stationary point satisfying the first-order optimality conditions. Convergence is accelerated by a particular projection-domain-based initialization. We demonstrate the performance and computational improvements of our proposed RED-PSM with a learned image denoiser by comparing it to a recent deep-prior-based method known as TD-DIP. Although the main focus is on dynamic tomography, we also show the performance advantages of RED-PSM in a cardiac dynamic MRI setting.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve the fidelity of generated samples, they often reduce diversity and coverage by ignoring rare and novel samples. This study proposes a novel approach for generating diverse rare samples from high-resolution image datasets with pretrained GANs. Our method employs gradient-based optimization of latent vectors within a multi-objective framework and utilizes normalizing flows for density estimation on the feature space. This enables the generation of diverse rare images, with controllable parameters for rarity, diversity, and similarity to a reference image. We demonstrate the effectiveness of our approach both qualitatively and quantitatively across various datasets and GANs without retraining or fine-tuning the pretrained GANs.

A promising approach for knowledge-based Word Sense Disambiguation (WSD) is to select the sense whose contextualized embeddings computed for its definition sentence are closest to those computed for a target word in a given sentence. This approach relies on the similarity of the sense and context embeddings computed by a pre-trained language model. We propose a semantic specialization for WSD where contextualized embeddings are adapted to the WSD task using solely lexical knowledge. The key idea is, for a given sense, to bring semantically related senses and contexts closer and send different/unrelated senses farther away. We realize this idea as the joint optimization of the Attract-Repel objective for sense pairs and the self-training objective for context-sense pairs while controlling deviations from the original embeddings. The proposed method outperformed previous studies that adapt contextualized embeddings. It achieved state-of-the-art performance on knowledge-based WSD when combined with the reranking heuristic that uses the sense inventory. We found that the similarity characteristics of specialized embeddings conform to the key idea. We also found that the (dis)similarity of embeddings between the related/different/unrelated senses correlates well with the performance of WSD.

While deep neural networks achieve great performance on fitting the training distribution, the learned networks are prone to overfitting and are susceptible to adversarial attacks. In this regard, a number of mixup based augmentation methods have been recently proposed. However, these approaches mainly focus on creating previously unseen virtual examples and can sometimes provide misleading supervisory signal to the network. To this end, we propose Puzzle Mix, a mixup method for explicitly utilizing the saliency information and the underlying statistics of the natural examples. This leads to an interesting optimization problem alternating between the multi-label objective for optimal mixing mask and saliency discounted optimal transport objective. Our experiments show Puzzle Mix achieves the state of the art generalization and the adversarial robustness results compared to other mixup methods on CIFAR-100, Tiny-ImageNet, and ImageNet datasets. The source code is available at https://github.com/snu-mllab/PuzzleMix.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

The goal of reinforcement learning (RL) is to find a policy that maximizes the expected cumulative return. It has been shown that this objective can be represented as an optimization problem of state-action visitation distribution under linear constraints. The dual problem of this formulation, which we refer to as dual RL, is unconstrained and easier to optimize. In this work, we first cast several state-of-the-art offline RL and offline imitation learning (IL) algorithms as instances of dual RL approaches with shared structures. Such unification allows us to identify the root cause of the shortcomings of prior methods. For offline IL, our analysis shows that prior methods are based on a restrictive coverage assumption that greatly limits their performance in practice. To fix this limitation, we propose a new discriminator-free method ReCOIL that learns to imitate from arbitrary off-policy data to obtain near-expert performance. For offline RL, our analysis frames a recent offline RL method XQL in the dual framework, and we further propose a new method f-DVL that provides alternative choices to the Gumbel regression loss that fixes the known training instability issue of XQL. The performance improvements by both of our proposed methods, ReCOIL and f-DVL, in IL and RL are validated on an extensive suite of simulated robot locomotion and manipulation tasks. Project code and details can be found at this https://hari-sikchi.github.io/dual-rl.

Despite the breakthroughs in accuracy and speed of single image super-resolution using faster and deeper convolutional neural networks, one central problem remains largely unsolved: how do we recover the finer texture details when we super-resolve at large upscaling factors? The behavior of optimization-based super-resolution methods is principally driven by the choice of the objective function. Recent work has largely focused on minimizing the mean squared reconstruction error. The resulting estimates have high peak signal-to-noise ratios, but they are often lacking high-frequency details and are perceptually unsatisfying in the sense that they fail to match the fidelity expected at the higher resolution. In this paper, we present SRGAN, a generative adversarial network (GAN) for image super-resolution (SR). To our knowledge, it is the first framework capable of inferring photo-realistic natural images for 4x upscaling factors. To achieve this, we propose a perceptual loss function which consists of an adversarial loss and a content loss. The adversarial loss pushes our solution to the natural image manifold using a discriminator network that is trained to differentiate between the super-resolved images and original photo-realistic images. In addition, we use a content loss motivated by perceptual similarity instead of similarity in pixel space. Our deep residual network is able to recover photo-realistic textures from heavily downsampled images on public benchmarks. An extensive mean-opinion-score (MOS) test shows hugely significant gains in perceptual quality using SRGAN. The MOS scores obtained with SRGAN are closer to those of the original high-resolution images than to those obtained with any state-of-the-art method.

Large language models (LLMs) have advanced to encompass extensive knowledge across diverse domains. Yet controlling what a large language model should not know is important for ensuring alignment and thus safe use. However, accurately and efficiently unlearning knowledge from an LLM remains challenging due to the potential collateral damage caused by the fuzzy boundary between retention and forgetting, and the large computational requirements for optimization across state-of-the-art models with hundreds of billions of parameters. In this work, we present Embedding-COrrupted (ECO) Prompts, a lightweight unlearning framework for large language models to address both the challenges of knowledge entanglement and unlearning efficiency. Instead of relying on the LLM itself to unlearn, we enforce an unlearned state during inference by employing a prompt classifier to identify and safeguard prompts to forget. We learn corruptions added to prompt embeddings via zeroth order optimization toward the unlearning objective offline and corrupt prompts flagged by the classifier during inference. We find that these embedding-corrupted prompts not only lead to desirable outputs that satisfy the unlearning objective but also closely approximate the output from a model that has never been trained on the data intended for forgetting. Through extensive experiments on unlearning, we demonstrate the superiority of our method in achieving promising unlearning at nearly zero side effects in general domains and domains closely related to the unlearned ones. Additionally, we highlight the scalability of our method to 100 LLMs, ranging from 0.5B to 236B parameters, incurring no additional cost as the number of parameters increases.

Pre-trained Language Models (LMs) exhibit strong zero-shot and in-context learning capabilities; however, their behaviors are often difficult to control. By utilizing Reinforcement Learning from Human Feedback (RLHF), it is possible to fine-tune unsupervised LMs to follow instructions and produce outputs that reflect human preferences. Despite its benefits, RLHF has been shown to potentially harm a language model's reasoning capabilities and introduce artifacts such as hallucinations where the model may fabricate facts. To address this issue we introduce Direct Preference Heads (DPH), a fine-tuning framework that enables LMs to learn human preference signals through an auxiliary reward head without directly affecting the output distribution of the language modeling head. We perform a theoretical analysis of our objective function and find strong ties to Conservative Direct Preference Optimization (cDPO). Finally we evaluate our models on GLUE, RACE, and the GPT4All evaluation suite and demonstrate that our method produces models which achieve higher scores than those fine-tuned with Supervised Fine-Tuning (SFT) or Direct Preference Optimization (DPO) alone.

Large Language Models (LLMs) can be misused to spread online spam and misinformation. Content watermarking deters misuse by hiding a message in model-generated outputs, enabling their detection using a secret watermarking key. Robustness is a core security property, stating that evading detection requires (significant) degradation of the content's quality. Many LLM watermarking methods have been proposed, but robustness is tested only against non-adaptive attackers who lack knowledge of the watermarking method and can find only suboptimal attacks. We formulate the robustness of LLM watermarking as an objective function and propose preference-based optimization to tune adaptive attacks against the specific watermarking method. Our evaluation shows that (i) adaptive attacks substantially outperform non-adaptive baselines. (ii) Even in a non-adaptive setting, adaptive attacks optimized against a few known watermarks remain highly effective when tested against other unseen watermarks, and (iii) optimization-based attacks are practical and require less than seven GPU hours. Our findings underscore the need to test robustness against adaptive attackers.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

Recent advances in the area of photonic optimization have made it possible to establish performance bounds on a wide range of electromagnetic objectives, albeit restricted to systems composed of single materials. In this work, motivated by interest in applications of optical heterostructures to broadband absorption, passive cooling, and ultrafast photonics, we show that these existing optimization methods can be readily extended to incorporate multi-material settings. Representative bounds on absorption in multilayer films and compact structures comprising two materials are shown to predict trends seen in topology-optimized devices, typically coming within factors of two of specific designs, and demonstrate higher achievable performance for heterostructures compared to single-material systems.

The standard practice for developing contemporary MLLMs is to feed features from vision encoder(s) into the LLM and train with natural language supervision. In this work, we posit an overlooked opportunity to optimize the intermediate LLM representations through a vision perspective (objective), i.e., solely natural language supervision is sub-optimal for the MLLM's visual understanding ability. To that end, we propose OLA-VLM, the first approach distilling knowledge into the LLM's hidden representations from a set of target visual representations. Firstly, we formulate the objective during the pretraining stage in MLLMs as a coupled optimization of predictive visual embedding and next text-token prediction. Secondly, we investigate MLLMs trained solely with natural language supervision and identify a positive correlation between the quality of visual representations within these models and their downstream performance. Moreover, upon probing our OLA-VLM, we observe improved representation quality owing to the embedding optimization. Thirdly, we demonstrate that our OLA-VLM outperforms the single and multi-encoder baselines, proving our approach's superiority over explicitly feeding the corresponding features to the LLM. Particularly, OLA-VLM boosts performance by an average margin of up to 2.5% on various benchmarks, with a notable improvement of 8.7% on the Depth task in CV-Bench. Our code is open-sourced at https://github.com/SHI-Labs/OLA-VLM .

Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing tasks. Exploiting the heterogeneous capabilities of edge LLMs is crucial for diverse emerging applications, as it enables greater cost-effectiveness and reduced latency. In this work, we introduce Mixture-of-Edge-Experts (MoE^2), a novel collaborative inference framework for edge LLMs. We formulate the joint gating and expert selection problem to optimize inference performance under energy and latency constraints. Unlike conventional MoE problems, LLM expert selection is significantly more challenging due to the combinatorial nature and the heterogeneity of edge LLMs across various attributes. To this end, we propose a two-level expert selection mechanism through which we uncover an optimality-preserving property of gating parameters across expert selections. This property enables the decomposition of the training and selection processes, significantly reducing complexity. Furthermore, we leverage the objective's monotonicity and design a discrete monotonic optimization algorithm for optimal expert selection. We implement edge servers with NVIDIA Jetson AGX Orins and NVIDIA RTX 4090 GPUs, and perform extensive experiments. Our results validate that performance improvements of various LLM models and show that our MoE^2 method can achieve optimal trade-offs among different delay and energy budgets, and outperforms baselines under various system resource constraints.

Bilevel optimization enjoys a wide range of applications in hyper-parameter optimization, meta-learning and reinforcement learning. However, bilevel optimization problems are difficult to solve. Recent progress on scalable bilevel algorithms mainly focuses on bilevel optimization problems where the lower-level objective is either strongly convex or unconstrained. In this work, we tackle the bilevel problem through the lens of the penalty method. We show that under certain conditions, the penalty reformulation recovers the solutions of the original bilevel problem. Further, we propose the penalty-based bilevel gradient descent (PBGD) algorithm and establish its finite-time convergence for the constrained bilevel problem without lower-level strong convexity. Experiments showcase the efficiency of the proposed PBGD algorithm.

Large-scale pretraining is fast becoming the norm in Vision-Language (VL) modeling. However, prevailing VL approaches are limited by the requirement for labeled data and the use of complex multi-step pretraining objectives. We present MAGMA - a simple method for augmenting generative language models with additional modalities using adapter-based finetuning. Building on Frozen, we train a series of VL models that autoregressively generate text from arbitrary combinations of visual and textual input. The pretraining is entirely end-to-end using a single language modeling objective, simplifying optimization compared to previous approaches. Importantly, the language model weights remain unchanged during training, allowing for transfer of encyclopedic knowledge and in-context learning abilities from language pretraining. MAGMA outperforms Frozen on open-ended generative tasks, achieving state of the art results on the OKVQA benchmark and competitive results on a range of other popular VL benchmarks, while pretraining on 0.2% of the number of samples used to train SimVLM.

The fluency and creativity of large pre-trained language models (LLMs) have led to their widespread use, sometimes even as a replacement for traditional search engines. Yet language models are prone to making convincing but factually inaccurate claims, often referred to as 'hallucinations.' These errors can inadvertently spread misinformation or harmfully perpetuate misconceptions. Further, manual fact-checking of model responses is a time-consuming process, making human factuality labels expensive to acquire. In this work, we fine-tune language models to be more factual, without human labeling and targeting more open-ended generation settings than past work. We leverage two key recent innovations in NLP to do so. First, several recent works have proposed methods for judging the factuality of open-ended text by measuring consistency with an external knowledge base or simply a large model's confidence scores. Second, the direct preference optimization algorithm enables straightforward fine-tuning of language models on objectives other than supervised imitation, using a preference ranking over possible model responses. We show that learning from automatically generated factuality preference rankings, generated either through existing retrieval systems or our novel retrieval-free approach, significantly improves the factuality (percent of generated claims that are correct) of Llama-2 on held-out topics compared with RLHF or decoding strategies targeted at factuality. At 7B scale, compared to Llama-2-chat, we observe 58% and 40% reduction in factual error rate when generating biographies and answering medical questions, respectively.

3D Gaussian splatting (3DGS), known for its groundbreaking performance and efficiency, has become a dominant 3D representation and brought progress to many 3D vision tasks. However, in this work, we reveal a significant security vulnerability that has been largely overlooked in 3DGS: the computation cost of training 3DGS could be maliciously tampered by poisoning the input data. By developing an attack named Poison-splat, we reveal a novel attack surface where the adversary can poison the input images to drastically increase the computation memory and time needed for 3DGS training, pushing the algorithm towards its worst computation complexity. In extreme cases, the attack can even consume all allocable memory, leading to a Denial-of-Service (DoS) that disrupts servers, resulting in practical damages to real-world 3DGS service vendors. Such a computation cost attack is achieved by addressing a bi-level optimization problem through three tailored strategies: attack objective approximation, proxy model rendering, and optional constrained optimization. These strategies not only ensure the effectiveness of our attack but also make it difficult to defend with simple defensive measures. We hope the revelation of this novel attack surface can spark attention to this crucial yet overlooked vulnerability of 3DGS systems. Our code is available at https://github.com/jiahaolu97/poison-splat .

In this paper, we contend that a natural objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a low-dimensional Gaussian mixture supported on incoherent subspaces. The goodness of such a representation can be evaluated by a principled measure, called sparse rate reduction, that simultaneously maximizes the intrinsic information gain and extrinsic sparsity of the learned representation. From this perspective, popular deep network architectures, including transformers, can be viewed as realizing iterative schemes to optimize this measure. Particularly, we derive a transformer block from alternating optimization on parts of this objective: the multi-head self-attention operator compresses the representation by implementing an approximate gradient descent step on the coding rate of the features, and the subsequent multi-layer perceptron sparsifies the features. This leads to a family of white-box transformer-like deep network architectures, named CRATE, which are mathematically fully interpretable. We show, by way of a novel connection between denoising and compression, that the inverse to the aforementioned compressive encoding can be realized by the same class of CRATE architectures. Thus, the so-derived white-box architectures are universal to both encoders and decoders. Experiments show that these networks, despite their simplicity, indeed learn to compress and sparsify representations of large-scale real-world image and text datasets, and achieve performance very close to highly engineered transformer-based models: ViT, MAE, DINO, BERT, and GPT2. We believe the proposed computational framework demonstrates great potential in bridging the gap between theory and practice of deep learning, from a unified perspective of data compression. Code is available at: https://ma-lab-berkeley.github.io/CRATE .

Vision-Language Pre-training (VLP) models like CLIP have achieved remarkable success in computer vision and particularly demonstrated superior robustness to distribution shifts of 2D images. However, their robustness under 3D viewpoint variations is still limited, which can hinder the development for real-world applications. This paper successfully addresses this concern while keeping VLPs' original performance by breaking through two primary obstacles: 1) the scarcity of training data and 2) the suboptimal fine-tuning paradigms. To combat data scarcity, we build the Multi-View Caption (MVCap) dataset -- a comprehensive collection of over four million multi-view image-text pairs across more than 100K objects, providing more potential for VLP models to develop generalizable viewpoint-invariant representations. To address the limitations of existing paradigms in performance trade-offs and training efficiency, we design a novel fine-tuning framework named Omniview-Tuning (OVT). Specifically, OVT introduces a Cross-Viewpoint Alignment objective through a minimax-like optimization strategy, which effectively aligns representations of identical objects from diverse viewpoints without causing overfitting. Additionally, OVT fine-tunes VLP models in a parameter-efficient manner, leading to minimal computational cost. Extensive experiments on various VLP models with different architectures validate that OVT significantly improves the models' resilience to viewpoint shifts and keeps the original performance, establishing a pioneering standard for boosting the viewpoint invariance of VLP models.

We propose a novel test-time optimization approach for efficiently and robustly tracking any pixel at any time in a video. The latest state-of-the-art optimization-based tracking technique, OmniMotion, requires a prohibitively long optimization time, rendering it impractical for downstream applications. OmniMotion is sensitive to the choice of random seeds, leading to unstable convergence. To improve efficiency and robustness, we introduce a novel invertible deformation network, CaDeX++, which factorizes the function representation into a local spatial-temporal feature grid and enhances the expressivity of the coupling blocks with non-linear functions. While CaDeX++ incorporates a stronger geometric bias within its architectural design, it also takes advantage of the inductive bias provided by the vision foundation models. Our system utilizes monocular depth estimation to represent scene geometry and enhances the objective by incorporating DINOv2 long-term semantics to regulate the optimization process. Our experiments demonstrate a substantial improvement in training speed (more than 10 times faster), robustness, and accuracy in tracking over the SoTA optimization-based method OmniMotion.

The objective of domain generalization (DG) is to enhance the transferability of the model learned from a source domain to unobserved domains. To prevent overfitting to a specific domain, Sharpness-Aware Minimization (SAM) reduces source domain's loss sharpness. Although SAM variants have delivered significant improvements in DG, we highlight that there's still potential for improvement in generalizing to unknown domains through the exploration on data space. This paper introduces an objective rooted in both parameter and data perturbed regions for domain generalization, coined Unknown Domain Inconsistency Minimization (UDIM). UDIM reduces the loss landscape inconsistency between source domain and unknown domains. As unknown domains are inaccessible, these domains are empirically crafted by perturbing instances from the source domain dataset. In particular, by aligning the loss landscape acquired in the source domain to the loss landscape of perturbed domains, we expect to achieve generalization grounded on these flat minima for the unknown domains. Theoretically, we validate that merging SAM optimization with the UDIM objective establishes an upper bound for the true objective of the DG task. In an empirical aspect, UDIM consistently outperforms SAM variants across multiple DG benchmark datasets. Notably, UDIM shows statistically significant improvements in scenarios with more restrictive domain information, underscoring UDIM's generalization capability in unseen domains. Our code is available at https://github.com/SJShin-AI/UDIM.

Dataset distillation methods have achieved remarkable success in distilling a large dataset into a small set of representative samples. However, they are not designed to produce a distilled dataset that can be effectively used for facilitating self-supervised pre-training. To this end, we propose a novel problem of distilling an unlabeled dataset into a set of small synthetic samples for efficient self-supervised learning (SSL). We first prove that a gradient of synthetic samples with respect to a SSL objective in naive bilevel optimization is biased due to the randomness originating from data augmentations or masking. To address this issue, we propose to minimize the mean squared error (MSE) between a model's representations of the synthetic examples and their corresponding learnable target feature representations for the inner objective, which does not introduce any randomness. Our primary motivation is that the model obtained by the proposed inner optimization can mimic the self-supervised target model. To achieve this, we also introduce the MSE between representations of the inner model and the self-supervised target model on the original full dataset for outer optimization. Lastly, assuming that a feature extractor is fixed, we only optimize a linear head on top of the feature extractor, which allows us to reduce the computational cost and obtain a closed-form solution of the head with kernel ridge regression. We empirically validate the effectiveness of our method on various applications involving transfer learning.

We present a novel unified bilevel optimization-based framework, PARL, formulated to address the recently highlighted critical issue of policy alignment in reinforcement learning using utility or preference-based feedback. We identify a major gap within current algorithmic designs for solving policy alignment due to a lack of precise characterization of the dependence of the alignment objective on the data generated by policy trajectories. This shortfall contributes to the sub-optimal performance observed in contemporary algorithms. Our framework addressed these concerns by explicitly parameterizing the distribution of the upper alignment objective (reward design) by the lower optimal variable (optimal policy for the designed reward). Interestingly, from an optimization perspective, our formulation leads to a new class of stochastic bilevel problems where the stochasticity at the upper objective depends upon the lower-level variable. To demonstrate the efficacy of our formulation in resolving alignment issues in RL, we devised an algorithm named A-PARL to solve PARL problem, establishing sample complexity bounds of order O(1/T). Our empirical results substantiate that the proposed PARL can address the alignment concerns in RL by showing significant improvements (up to 63\% in terms of required samples) for policy alignment in large-scale environments of the Deepmind control suite and Meta world tasks.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

A growing number of state-of-the-art transfer learning methods employ language models pretrained on large generic corpora. In this paper we present a conceptually simple and effective transfer learning approach that addresses the problem of catastrophic forgetting. Specifically, we combine the task-specific optimization function with an auxiliary language model objective, which is adjusted during the training process. This preserves language regularities captured by language models, while enabling sufficient adaptation for solving the target task. Our method does not require pretraining or finetuning separate components of the network and we train our models end-to-end in a single step. We present results on a variety of challenging affective and text classification tasks, surpassing well established transfer learning methods with greater level of complexity.

Deep Neural Networks (DNNs) are typically trained by backpropagation in a batch learning setting, which requires the entire training data to be made available prior to the learning task. This is not scalable for many real-world scenarios where new data arrives sequentially in a stream form. We aim to address an open challenge of "Online Deep Learning" (ODL) for learning DNNs on the fly in an online setting. Unlike traditional online learning that often optimizes some convex objective function with respect to a shallow model (e.g., a linear/kernel-based hypothesis), ODL is significantly more challenging since the optimization of the DNN objective function is non-convex, and regular backpropagation does not work well in practice, especially for online learning settings. In this paper, we present a new online deep learning framework that attempts to tackle the challenges by learning DNN models of adaptive depth from a sequence of training data in an online learning setting. In particular, we propose a novel Hedge Backpropagation (HBP) method for online updating the parameters of DNN effectively, and validate the efficacy of our method on large-scale data sets, including both stationary and concept drifting scenarios.

Generative Adversarial Networks (GANs) excel at creating realistic images with complex models for which maximum likelihood is infeasible. However, the convergence of GAN training has still not been proved. We propose a two time-scale update rule (TTUR) for training GANs with stochastic gradient descent on arbitrary GAN loss functions. TTUR has an individual learning rate for both the discriminator and the generator. Using the theory of stochastic approximation, we prove that the TTUR converges under mild assumptions to a stationary local Nash equilibrium. The convergence carries over to the popular Adam optimization, for which we prove that it follows the dynamics of a heavy ball with friction and thus prefers flat minima in the objective landscape. For the evaluation of the performance of GANs at image generation, we introduce the "Fr\'echet Inception Distance" (FID) which captures the similarity of generated images to real ones better than the Inception Score. In experiments, TTUR improves learning for DCGANs and Improved Wasserstein GANs (WGAN-GP) outperforming conventional GAN training on CelebA, CIFAR-10, SVHN, LSUN Bedrooms, and the One Billion Word Benchmark.

Knowledge Distillation (KD) is a promising technique for reducing the high computational demand of large language models (LLMs). However, previous KD methods are primarily applied to white-box classification models or training small models to imitate black-box model APIs like ChatGPT. How to effectively distill the knowledge from white-box generative LLMs is still under-explored, which becomes more and more important with the prosperity of LLMs. In this work, we propose MiniLLM that distills smaller language models from generative larger language models. We first replace the forward Kullback-Leibler divergence (KLD) objective in the standard KD approaches with reverse KLD, which is more suitable for KD on generative language models, to prevent the student model from overestimating the low-probability regions of the teacher distribution. Then, we derive an effective optimization approach to learn this objective. Extensive experiments in the instruction-following setting show that the MiniLLM models generate more precise responses with the higher overall quality, lower exposure bias, better calibration, and higher long-text generation performance. Our method is also scalable for different model families with 120M to 13B parameters. We will release our code and model checkpoints at https://aka.ms/MiniLLM.

Reinforcement Learning from Human Feedback (RLHF) has been crucial to the recent success of Large Language Models (LLMs), however, it is often a complex and brittle process. In the classical RLHF framework, a reward model is first trained to represent human preferences, which is in turn used by an online reinforcement learning (RL) algorithm to optimize the LLM. A prominent issue with such methods is reward over-optimization or reward hacking, where performance as measured by the learned proxy reward model increases, but true quality plateaus or even deteriorates. Direct Alignment Algorithms (DDAs) like Direct Preference Optimization have emerged as alternatives to the classical RLHF pipeline by circumventing the reward modeling phase. However, although DAAs do not use a separate proxy reward model, they still commonly deteriorate from over-optimization. While the so-called reward hacking phenomenon is not well-defined for DAAs, we still uncover similar trends: at higher KL budgets, DAA algorithms exhibit similar degradation patterns to their classic RLHF counterparts. In particular, we find that DAA methods deteriorate not only across a wide range of KL budgets but also often before even a single epoch of the dataset is completed. Through extensive empirical experimentation, this work formulates and formalizes the reward over-optimization or hacking problem for DAAs and explores its consequences across objectives, training regimes, and model scales.

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them struggle to handle protein understanding and generation tasks concurrently. We propose a unified protein language model, xTrimoPGLM, to address these two types of tasks simultaneously through an innovative pre-training framework. Our key technical contribution is an exploration of the compatibility and the potential for joint optimization of the two types of objectives, which has led to a strategy for training xTrimoPGLM at an unprecedented scale of 100 billion parameters and 1 trillion training tokens. Our extensive experiments reveal that 1) xTrimoPGLM significantly outperforms other advanced baselines in 18 protein understanding benchmarks across four categories. The model also facilitates an atomic-resolution view of protein structures, leading to an advanced 3D structural prediction model that surpasses existing language model-based tools. 2) xTrimoPGLM not only can generate de novo protein sequences following the principles of natural ones, but also can perform programmable generation after supervised fine-tuning (SFT) on curated sequences. These results highlight the substantial capability and versatility of xTrimoPGLM in understanding and generating protein sequences, contributing to the evolving landscape of foundation models in protein science.

Skeleton-based multi-entity action recognition is a challenging task aiming to identify interactive actions or group activities involving multiple diverse entities. Existing models for individuals often fall short in this task due to the inherent distribution discrepancies among entity skeletons, leading to suboptimal backbone optimization. To this end, we introduce a Convex Hull Adaptive Shift based multi-Entity action recognition method (CHASE), which mitigates inter-entity distribution gaps and unbiases subsequent backbones. Specifically, CHASE comprises a learnable parameterized network and an auxiliary objective. The parameterized network achieves plausible, sample-adaptive repositioning of skeleton sequences through two key components. First, the Implicit Convex Hull Constrained Adaptive Shift ensures that the new origin of the coordinate system is within the skeleton convex hull. Second, the Coefficient Learning Block provides a lightweight parameterization of the mapping from skeleton sequences to their specific coefficients in convex combinations. Moreover, to guide the optimization of this network for discrepancy minimization, we propose the Mini-batch Pair-wise Maximum Mean Discrepancy as the additional objective. CHASE operates as a sample-adaptive normalization method to mitigate inter-entity distribution discrepancies, thereby reducing data bias and improving the subsequent classifier's multi-entity action recognition performance. Extensive experiments on six datasets, including NTU Mutual 11/26, H2O, Assembly101, Collective Activity and Volleyball, consistently verify our approach by seamlessly adapting to single-entity backbones and boosting their performance in multi-entity scenarios. Our code is publicly available at https://github.com/Necolizer/CHASE .

Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output undesired responses. We investigate this problem in a principled manner by identifying the source of the misalignment as a form of distributional shift and uncertainty in learning human preferences. To mitigate overoptimization, we first propose a theoretical algorithm that chooses the best policy for an adversarially chosen reward model; one that simultaneously minimizes the maximum likelihood estimation of the loss and a reward penalty term. Here, the reward penalty term is introduced to prevent the policy from choosing actions with spurious high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy-to-implement reformulation. Using the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines: (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss that explicitly imitates the policy with a (suitable) baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of RPO compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.

Seed area generation is usually the starting point of weakly supervised semantic segmentation (WSSS). Computing the Class Activation Map (CAM) from a multi-label classification network is the de facto paradigm for seed area generation, but CAMs generated from Convolutional Neural Networks (CNNs) and Transformers are prone to be under- and over-activated, respectively, which makes the strategies to refine CAMs for CNNs usually inappropriate for Transformers, and vice versa. In this paper, we propose a Unified optimization paradigm for Seed Area GEneration (USAGE) for both types of networks, in which the objective function to be optimized consists of two terms: One is a generation loss, which controls the shape of seed areas by a temperature parameter following a deterministic principle for different types of networks; The other is a regularization loss, which ensures the consistency between the seed areas that are generated by self-adaptive network adjustment from different views, to overturn false activation in seed areas. Experimental results show that USAGE consistently improves seed area generation for both CNNs and Transformers by large margins, e.g., outperforming state-of-the-art methods by a mIoU of 4.1% on PASCAL VOC. Moreover, based on the USAGE-generated seed areas on Transformers, we achieve state-of-the-art WSSS results on both PASCAL VOC and MS COCO.

We introduce a Parametric Information Maximization (PIM) model for the Generalized Category Discovery (GCD) problem. Specifically, we propose a bi-level optimization formulation, which explores a parameterized family of objective functions, each evaluating a weighted mutual information between the features and the latent labels, subject to supervision constraints from the labeled samples. Our formulation mitigates the class-balance bias encoded in standard information maximization approaches, thereby handling effectively both short-tailed and long-tailed data sets. We report extensive experiments and comparisons demonstrating that our PIM model consistently sets new state-of-the-art performances in GCD across six different datasets, more so when dealing with challenging fine-grained problems.

Supervised dictionary learning (SDL) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. The goal of SDL is to learn a class-discriminative dictionary, which is a set of latent feature vectors that can well-explain both the features as well as labels of observed data. In this paper, we provide a systematic study of SDL, including the theory, algorithm, and applications of SDL. First, we provide a novel framework that `lifts' SDL as a convex problem in a combined factor space and propose a low-rank projected gradient descent algorithm that converges exponentially to the global minimizer of the objective. We also formulate generative models of SDL and provide global estimation guarantees of the true parameters depending on the hyperparameter regime. Second, viewed as a nonconvex constrained optimization problem, we provided an efficient block coordinate descent algorithm for SDL that is guaranteed to find an varepsilon-stationary point of the objective in O(varepsilon^{-1}(log varepsilon^{-1})^{2}) iterations. For the corresponding generative model, we establish a novel non-asymptotic local consistency result for constrained and regularized maximum likelihood estimation problems, which may be of independent interest. Third, we apply SDL for imbalanced document classification by supervised topic modeling and also for pneumonia detection from chest X-ray images. We also provide simulation studies to demonstrate that SDL becomes more effective when there is a discrepancy between the best reconstructive and the best discriminative dictionaries.

In this paper, we present PanoDreamer, a novel method for producing a coherent 360^circ 3D scene from a single input image. Unlike existing methods that generate the scene sequentially, we frame the problem as single-image panorama and depth estimation. Once the coherent panoramic image and its corresponding depth are obtained, the scene can be reconstructed by inpainting the small occluded regions and projecting them into 3D space. Our key contribution is formulating single-image panorama and depth estimation as two optimization tasks and introducing alternating minimization strategies to effectively solve their objectives. We demonstrate that our approach outperforms existing techniques in single-image 360^circ scene reconstruction in terms of consistency and overall quality.

Recently, text-to-image generation has exhibited remarkable advancements, with the ability to produce visually impressive results. In contrast, text-to-3D generation has not yet reached a comparable level of quality. Existing methods primarily rely on text-guided score distillation sampling (SDS), and they encounter difficulties in transferring 2D attributes of the generated images to 3D content. In this work, we aim to develop an effective 3D generative model capable of synthesizing high-resolution textured meshes by leveraging both textual and image information. To this end, we introduce Guide3D, a zero-shot text-and-image-guided generative model for 3D avatar generation based on diffusion models. Our model involves (1) generating sparse-view images of a text-consistent character using diffusion models, and (2) jointly optimizing multi-resolution differentiable marching tetrahedral grids with pixel-aligned image features. We further propose a similarity-aware feature fusion strategy for efficiently integrating features from different views. Moreover, we introduce two novel training objectives as an alternative to calculating SDS, significantly enhancing the optimization process. We thoroughly evaluate the performance and components of our framework, which outperforms the current state-of-the-art in producing topologically and structurally correct geometry and high-resolution textures. Guide3D enables the direct transfer of 2D-generated images to the 3D space. Our code will be made publicly available.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including 98.6% ROC-AUC on the CIFAR-10 dataset.

The formidable model size and demanding computational requirements of Segment Anything Model (SAM) have rendered it cumbersome for deployment on resource-constrained devices. Existing approaches for SAM compression typically involve training a new network from scratch, posing a challenging trade-off between compression costs and model performance. To address this issue, this paper introduces SlimSAM, a novel SAM compression method that achieves superior performance with remarkably low training costs. This is achieved by the efficient reuse of pre-trained SAMs through a unified pruning-distillation framework. To enhance knowledge inheritance from the original SAM, we employ an innovative alternate slimming strategy that partitions the compression process into a progressive procedure. Diverging from prior pruning techniques, we meticulously prune and distill decoupled model structures in an alternating fashion. Furthermore, a novel label-free pruning criterion is also proposed to align the pruning objective with the optimization target, thereby boosting the post-distillation after pruning. SlimSAM yields significant performance improvements while demanding over 10 times less training costs than any other existing methods. Even when compared to the original SAM-H, SlimSAM achieves approaching performance while reducing parameter counts to merely 0.9% (5.7M), MACs to 0.8% (21G), and requiring only 0.1% (10k) of the SAM training data. Code is available at url{http://github.com/czg1225/SlimSAM}.

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

In an era of increasing pressure to achieve sustainable agriculture, the optimization of livestock feed for enhancing yield and minimizing environmental impact is a paramount objective. This study presents a pioneering approach towards this goal, using rumen microbiome data to predict the efficacy of feed additives in dairy cattle. We collected an extensive dataset that includes methane emissions from 2,190 Holstein cows distributed across 34 distinct sites. The cows were divided into control and experimental groups in a double-blind, unbiased manner, accounting for variables such as age, days in lactation, and average milk yield. The experimental groups were administered one of four leading commercial feed additives: Agolin, Kexxtone, Allimax, and Relyon. Methane emissions were measured individually both before the administration of additives and over a subsequent 12-week period. To develop our predictive model for additive efficacy, rumen microbiome samples were collected from 510 cows from the same herds prior to the study's onset. These samples underwent deep metagenomic shotgun sequencing, yielding an average of 15.7 million reads per sample. Utilizing innovative artificial intelligence techniques we successfully estimated the efficacy of these feed additives across different farms. The model's robustness was further confirmed through validation with independent cohorts, affirming its generalizability and reliability. Our results underscore the transformative capability of using targeted feed additive strategies to both optimize dairy yield and milk composition, and to significantly reduce methane emissions. Specifically, our predictive model demonstrates a scenario where its application could guide the assignment of additives to farms where they are most effective. In doing so, we could achieve an average potential reduction of over 27\% in overall emissions.

Data Fairness is a crucial topic due to the recent wide usage of AI powered applications. Most of the real-world data is filled with human or machine biases and when those data are being used to train AI models, there is a chance that the model will reflect the bias in the training data. Existing bias-mitigating generative methods based on GANs, Diffusion models need in-processing fairness objectives and fail to consider computational overhead while choosing computationally-heavy architectures, which may lead to high computational demands, instability and poor optimization performance. To mitigate this issue, in this work, we present a fair data generation technique based on knowledge distillation, where we use a small architecture to distill the fair representation in the latent space. The idea of fair latent space distillation enables more flexible and stable training of Fair Generative Models (FGMs). We first learn a syntax-agnostic (for any data type) fair representation of the data, followed by distillation in the latent space into a smaller model. After distillation, we use the distilled fair latent space to generate high-fidelity fair synthetic data. While distilling, we employ quality loss (for fair distillation) and utility loss (for data utility) to ensure that the fairness and data utility characteristics remain in the distilled latent space. Our approaches show a 5%, 5% and 10% rise in performance in fairness, synthetic sample quality and data utility, respectively, than the state-of-the-art fair generative model.

Supervised Fine-Tuning (SFT) and Reinforcement Learning from Human Feedback (RLHF) are two fundamental processes for enhancing the capabilities of Language Models (LMs) post pre-training, aligning them better with human preferences. Although SFT advances in training efficiency, RLHF delivers better alignment, thus they are often combined. However, common practices simply apply them sequentially without unifying their optimization targets, resulting in a trade-off between fitting different objectives, and ignoring the opportunities to bridge the paradigm gap and take the strength from both. To obtain a unified understanding, we interpret SFT and RLHF using two sub-processes -- Preference Estimation and Transition Optimization -- defined at token level within the Markov Decision Process (MDP) framework. This modeling shows that SFT is only a specialized case of RLHF with inferior estimation and optimization. RLHF evaluates the quality of model's entire generated answer, whereas SFT only scores predicted tokens based on preceding tokens from target answers. Therefore, SFT overestimates the ability of model, leading to inferior optimization. Building on this view, we introduce Intuitive Fine-tuning (IFT) to integrate SFT and RLHF into a single process. IFT captures LMs' intuitive sense of the entire answers through a temporal residual connection, while using a single policy and the same volume of non-preference-labeled data as SFT. Our experiments show that IFT performs comparably or even superiorly to sequential recipes of SFT and some typical alignment methods across several tasks, particularly those requires generation, reasoning, and fact-following abilities. An explainable Frozen Lake game further validates the effectiveness of IFT.

We study the problem of efficiently generating differentially private synthetic data that approximate the statistical properties of an underlying sensitive dataset. In recent years, there has been a growing line of work that approaches this problem using first-order optimization techniques. However, such techniques are restricted to optimizing differentiable objectives only, severely limiting the types of analyses that can be conducted. For example, first-order mechanisms have been primarily successful in approximating statistical queries only in the form of marginals for discrete data domains. In some cases, one can circumvent such issues by relaxing the task's objective to maintain differentiability. However, even when possible, these approaches impose a fundamental limitation in which modifications to the minimization problem become additional sources of error. Therefore, we propose Private-GSD, a private genetic algorithm based on zeroth-order optimization heuristics that do not require modifying the original objective. As a result, it avoids the aforementioned limitations of first-order optimization. We empirically evaluate Private-GSD against baseline algorithms on data derived from the American Community Survey across a variety of statistics--otherwise known as statistical queries--both for discrete and real-valued attributes. We show that Private-GSD outperforms the state-of-the-art methods on non-differential queries while matching accuracy in approximating differentiable ones.

Microprocessor architects are increasingly resorting to domain-specific customization in the quest for high-performance and energy-efficiency. As the systems grow in complexity, fine-tuning architectural parameters across multiple sub-systems (e.g., datapath, memory blocks in different hierarchies, interconnects, compiler optimization, etc.) quickly results in a combinatorial explosion of design space. This makes domain-specific customization an extremely challenging task. Prior work explores using reinforcement learning (RL) and other optimization methods to automatically explore the large design space. However, these methods have traditionally relied on single-agent RL/ML formulations. It is unclear how scalable single-agent formulations are as we increase the complexity of the design space (e.g., full stack System-on-Chip design). Therefore, we propose an alternative formulation that leverages Multi-Agent RL (MARL) to tackle this problem. The key idea behind using MARL is an observation that parameters across different sub-systems are more or less independent, thus allowing a decentralized role assigned to each agent. We test this hypothesis by designing domain-specific DRAM memory controller for several workload traces. Our evaluation shows that the MARL formulation consistently outperforms single-agent RL baselines such as Proximal Policy Optimization and Soft Actor-Critic over different target objectives such as low power and latency. To this end, this work opens the pathway for new and promising research in MARL solutions for hardware architecture search.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

Language Model Programs, i.e. sophisticated pipelines of modular language model (LM) calls, are increasingly advancing NLP tasks, but they require crafting prompts that are jointly effective for all modules. We study prompt optimization for LM programs, i.e. how to update these prompts to maximize a downstream metric without access to module-level labels or gradients. To make this tractable, we factorize our problem into optimizing the free-form instructions and few-shot demonstrations of every module and introduce several strategies to craft task-grounded instructions and navigate credit assignment across modules. Our strategies include (i) program- and data-aware techniques for proposing effective instructions, (ii) a stochastic mini-batch evaluation function for learning a surrogate model of our objective, and (iii) a meta-optimization procedure in which we refine how LMs construct proposals over time. Using these insights we develop MIPRO, a novel algorithm for optimizing LM programs. MIPRO outperforms baseline optimizers on five of seven diverse multi-stage LM programs using a best-in-class open-source model (Llama-3-8B), by as high as 13% accuracy. We have released our new optimizers and benchmark in DSPy at http://dspy.ai

Ensuring reliable confidence scores from deep neural networks is of paramount significance in critical decision-making systems, particularly in real-world domains such as healthcare. Recent literature on calibrating deep segmentation networks has resulted in substantial progress. Nevertheless, these approaches are strongly inspired by the advancements in classification tasks, and thus their uncertainty is usually modeled by leveraging the information of individual pixels, disregarding the local structure of the object of interest. Indeed, only the recent Spatially Varying Label Smoothing (SVLS) approach considers pixel spatial relationships across classes, by softening the pixel label assignments with a discrete spatial Gaussian kernel. In this work, we first present a constrained optimization perspective of SVLS and demonstrate that it enforces an implicit constraint on soft class proportions of surrounding pixels. Furthermore, our analysis shows that SVLS lacks a mechanism to balance the contribution of the constraint with the primary objective, potentially hindering the optimization process. Based on these observations, we propose NACL (Neighbor Aware CaLibration), a principled and simple solution based on equality constraints on the logit values, which enables to control explicitly both the enforced constraint and the weight of the penalty, offering more flexibility. Comprehensive experiments on a wide variety of well-known segmentation benchmarks demonstrate the superior calibration performance of the proposed approach, without affecting its discriminative power. Furthermore, ablation studies empirically show the model agnostic nature of our approach, which can be used to train a wide span of deep segmentation networks.

Ensuring reliable confidence scores from deep networks is of pivotal importance in critical decision-making systems, notably in the medical domain. While recent literature on calibrating deep segmentation networks has led to significant progress, their uncertainty is usually modeled by leveraging the information of individual pixels, which disregards the local structure of the object of interest. In particular, only the recent Spatially Varying Label Smoothing (SVLS) approach addresses this issue by softening the pixel label assignments with a discrete spatial Gaussian kernel. In this work, we first present a constrained optimization perspective of SVLS and demonstrate that it enforces an implicit constraint on soft class proportions of surrounding pixels. Furthermore, our analysis shows that SVLS lacks a mechanism to balance the contribution of the constraint with the primary objective, potentially hindering the optimization process. Based on these observations, we propose a principled and simple solution based on equality constraints on the logit values, which enables to control explicitly both the enforced constraint and the weight of the penalty, offering more flexibility. Comprehensive experiments on a variety of well-known segmentation benchmarks demonstrate the superior performance of the proposed approach.

The entropic fictitious play (EFP) is a recently proposed algorithm that minimizes the sum of a convex functional and entropy in the space of measures -- such an objective naturally arises in the optimization of a two-layer neural network in the mean-field regime. In this work, we provide a concise primal-dual analysis of EFP in the setting where the learning problem exhibits a finite-sum structure. We establish quantitative global convergence guarantees for both the continuous-time and discrete-time dynamics based on properties of a proximal Gibbs measure introduced in Nitanda et al. (2022). Furthermore, our primal-dual framework entails a memory-efficient particle-based implementation of the EFP update, and also suggests a connection to gradient boosting methods. We illustrate the efficiency of our novel implementation in experiments including neural network optimization and image synthesis.