Daily Papers

Recent advances in radiance field reconstruction, such as 3D Gaussian Splatting (3DGS), have achieved high-quality novel view synthesis and fast rendering by representing scenes with compositions of Gaussian primitives. However, 3D Gaussians present several limitations for scene reconstruction. Accurately capturing hard edges is challenging without significantly increasing the number of Gaussians, creating a large memory footprint. Moreover, they struggle to represent flat surfaces, as they are diffused in space. Without hand-crafted regularizers, they tend to disperse irregularly around the actual surface. To circumvent these issues, we introduce a novel method, named 3D Convex Splatting (3DCS), which leverages 3D smooth convexes as primitives for modeling geometrically-meaningful radiance fields from multi-view images. Smooth convex shapes offer greater flexibility than Gaussians, allowing for a better representation of 3D scenes with hard edges and dense volumes using fewer primitives. Powered by our efficient CUDA-based rasterizer, 3DCS achieves superior performance over 3DGS on benchmarks such as Mip-NeRF360, Tanks and Temples, and Deep Blending. Specifically, our method attains an improvement of up to 0.81 in PSNR and 0.026 in LPIPS compared to 3DGS while maintaining high rendering speeds and reducing the number of required primitives. Our results highlight the potential of 3D Convex Splatting to become the new standard for high-quality scene reconstruction and novel view synthesis. Project page: convexsplatting.github.io.

Recently, diffusion models have made remarkable progress in text-to-image (T2I) generation, synthesizing images with high fidelity and diverse contents. Despite this advancement, latent space smoothness within diffusion models remains largely unexplored. Smooth latent spaces ensure that a perturbation on an input latent corresponds to a steady change in the output image. This property proves beneficial in downstream tasks, including image interpolation, inversion, and editing. In this work, we expose the non-smoothness of diffusion latent spaces by observing noticeable visual fluctuations resulting from minor latent variations. To tackle this issue, we propose Smooth Diffusion, a new category of diffusion models that can be simultaneously high-performing and smooth. Specifically, we introduce Step-wise Variation Regularization to enforce the proportion between the variations of an arbitrary input latent and that of the output image is a constant at any diffusion training step. In addition, we devise an interpolation standard deviation (ISTD) metric to effectively assess the latent space smoothness of a diffusion model. Extensive quantitative and qualitative experiments demonstrate that Smooth Diffusion stands out as a more desirable solution not only in T2I generation but also across various downstream tasks. Smooth Diffusion is implemented as a plug-and-play Smooth-LoRA to work with various community models. Code is available at https://github.com/SHI-Labs/Smooth-Diffusion.

Reinforcement learning (RL) enables robots to learn skills from interactions with the real world. In practice, the unstructured step-based exploration used in Deep RL -- often very successful in simulation -- leads to jerky motion patterns on real robots. Consequences of the resulting shaky behavior are poor exploration, or even damage to the robot. We address these issues by adapting state-dependent exploration (SDE) to current Deep RL algorithms. To enable this adaptation, we propose two extensions to the original SDE, using more general features and re-sampling the noise periodically, which leads to a new exploration method generalized state-dependent exploration (gSDE). We evaluate gSDE both in simulation, on PyBullet continuous control tasks, and directly on three different real robots: a tendon-driven elastic robot, a quadruped and an RC car. The noise sampling interval of gSDE permits to have a compromise between performance and smoothness, which allows training directly on the real robots without loss of performance. The code is available at https://github.com/DLR-RM/stable-baselines3.

Recent one-shot video tuning methods, which fine-tune the network on a specific video based on pre-trained text-to-image models (e.g., Stable Diffusion), are popular in the community because of the flexibility. However, these methods often produce videos marred by incoherence and inconsistency. To address these limitations, this paper introduces a simple yet effective noise constraint across video frames. This constraint aims to regulate noise predictions across their temporal neighbors, resulting in smooth latents. It can be simply included as a loss term during the training phase. By applying the loss to existing one-shot video tuning methods, we significantly improve the overall consistency and smoothness of the generated videos. Furthermore, we argue that current video evaluation metrics inadequately capture smoothness. To address this, we introduce a novel metric that considers detailed features and their temporal dynamics. Experimental results validate the effectiveness of our approach in producing smoother videos on various one-shot video tuning baselines. The source codes and video demos are available at https://github.com/SPengLiang/SmoothVideo{https://github.com/SPengLiang/SmoothVideo}.

Calibration measures and reliability diagrams are two fundamental tools for measuring and interpreting the calibration of probabilistic predictors. Calibration measures quantify the degree of miscalibration, and reliability diagrams visualize the structure of this miscalibration. However, the most common constructions of reliability diagrams and calibration measures -- binning and ECE -- both suffer from well-known flaws (e.g. discontinuity). We show that a simple modification fixes both constructions: first smooth the observations using an RBF kernel, then compute the Expected Calibration Error (ECE) of this smoothed function. We prove that with a careful choice of bandwidth, this method yields a calibration measure that is well-behaved in the sense of (B{\l}asiok, Gopalan, Hu, and Nakkiran 2023a) -- a consistent calibration measure. We call this measure the SmoothECE. Moreover, the reliability diagram obtained from this smoothed function visually encodes the SmoothECE, just as binned reliability diagrams encode the BinnedECE. We also provide a Python package with simple, hyperparameter-free methods for measuring and plotting calibration: `pip install relplot\`.

Deep networks are gradually penetrating almost every domain in our lives due to their amazing success. However, with substantive performance accuracy improvements comes the price of irreproducibility. Two identical models, trained on the exact same training dataset may exhibit large differences in predictions on individual examples even when average accuracy is similar, especially when trained on highly distributed parallel systems. The popular Rectified Linear Unit (ReLU) activation has been key to recent success of deep networks. We demonstrate, however, that ReLU is also a catalyzer to irreproducibility in deep networks. We show that not only can activations smoother than ReLU provide better accuracy, but they can also provide better accuracy-reproducibility tradeoffs. We propose a new family of activations; Smooth ReLU (SmeLU), designed to give such better tradeoffs, while also keeping the mathematical expression simple, and thus implementation cheap. SmeLU is monotonic, mimics ReLU, while providing continuous gradients, yielding better reproducibility. We generalize SmeLU to give even more flexibility and then demonstrate that SmeLU and its generalized form are special cases of a more general methodology of REctified Smooth Continuous Unit (RESCU) activations. Empirical results demonstrate the superior accuracy-reproducibility tradeoffs with smooth activations, SmeLU in particular.

Gaining insight into how deep convolutional neural network models perform image classification and how to explain their outputs have been a concern to computer vision researchers and decision makers. These deep models are often referred to as black box due to low comprehension of their internal workings. As an effort to developing explainable deep learning models, several methods have been proposed such as finding gradients of class output with respect to input image (sensitivity maps), class activation map (CAM), and Gradient based Class Activation Maps (Grad-CAM). These methods under perform when localizing multiple occurrences of the same class and do not work for all CNNs. In addition, Grad-CAM does not capture the entire object in completeness when used on single object images, this affect performance on recognition tasks. With the intention to create an enhanced visual explanation in terms of visual sharpness, object localization and explaining multiple occurrences of objects in a single image, we present Smooth Grad-CAM++ Simple demo: http://35.238.22.135:5000/, a technique that combines methods from two other recent techniques---SMOOTHGRAD and Grad-CAM++. Our Smooth Grad-CAM++ technique provides the capability of either visualizing a layer, subset of feature maps, or subset of neurons within a feature map at each instance at the inference level (model prediction process). After experimenting with few images, Smooth Grad-CAM++ produced more visually sharp maps with better localization of objects in the given input images when compared with other methods.

Despite efforts to align large language models (LLMs) with human values, widely-used LLMs such as GPT, Llama, Claude, and PaLM are susceptible to jailbreaking attacks, wherein an adversary fools a targeted LLM into generating objectionable content. To address this vulnerability, we propose SmoothLLM, the first algorithm designed to mitigate jailbreaking attacks on LLMs. Based on our finding that adversarially-generated prompts are brittle to character-level changes, our defense first randomly perturbs multiple copies of a given input prompt, and then aggregates the corresponding predictions to detect adversarial inputs. SmoothLLM reduces the attack success rate on numerous popular LLMs to below one percentage point, avoids unnecessary conservatism, and admits provable guarantees on attack mitigation. Moreover, our defense uses exponentially fewer queries than existing attacks and is compatible with any LLM. Our code is publicly available at the following link: https://github.com/arobey1/smooth-llm.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Diffusion Transformers (DiT) have emerged as powerful generative models for various tasks, including image, video, and speech synthesis. However, their inference process remains computationally expensive due to the repeated evaluation of resource-intensive attention and feed-forward modules. To address this, we introduce SmoothCache, a model-agnostic inference acceleration technique for DiT architectures. SmoothCache leverages the observed high similarity between layer outputs across adjacent diffusion timesteps. By analyzing layer-wise representation errors from a small calibration set, SmoothCache adaptively caches and reuses key features during inference. Our experiments demonstrate that SmoothCache achieves 8% to 71% speed up while maintaining or even improving generation quality across diverse modalities. We showcase its effectiveness on DiT-XL for image generation, Open-Sora for text-to-video, and Stable Audio Open for text-to-audio, highlighting its potential to enable real-time applications and broaden the accessibility of powerful DiT models.

Conditional diffusion models have shown remarkable success in visual content generation, producing high-quality samples across various domains, largely due to classifier-free guidance (CFG). Recent attempts to extend guidance to unconditional models have relied on heuristic techniques, resulting in suboptimal generation quality and unintended effects. In this work, we propose Smoothed Energy Guidance (SEG), a novel training- and condition-free approach that leverages the energy-based perspective of the self-attention mechanism to enhance image generation. By defining the energy of self-attention, we introduce a method to reduce the curvature of the energy landscape of attention and use the output as the unconditional prediction. Practically, we control the curvature of the energy landscape by adjusting the Gaussian kernel parameter while keeping the guidance scale parameter fixed. Additionally, we present a query blurring method that is equivalent to blurring the entire attention weights without incurring quadratic complexity in the number of tokens. In our experiments, SEG achieves a Pareto improvement in both quality and the reduction of side effects. The code is available at https://github.com/SusungHong/SEG-SDXL.

Large language models (LLMs) show excellent performance but are compute- and memory-intensive. Quantization can reduce memory and accelerate inference. However, existing methods cannot maintain accuracy and hardware efficiency at the same time. We propose SmoothQuant, a training-free, accuracy-preserving, and general-purpose post-training quantization (PTQ) solution to enable 8-bit weight, 8-bit activation (W8A8) quantization for LLMs. Based on the fact that weights are easy to quantize while activations are not, SmoothQuant smooths the activation outliers by offline migrating the quantization difficulty from activations to weights with a mathematically equivalent transformation. SmoothQuant enables an INT8 quantization of both weights and activations for all the matrix multiplications in LLMs, including OPT, BLOOM, GLM, MT-NLG, and LLaMA family. We demonstrate up to 1.56x speedup and 2x memory reduction for LLMs with negligible loss in accuracy. SmoothQuant enables serving 530B LLM within a single node. Our work offers a turn-key solution that reduces hardware costs and democratizes LLMs. Code is available at https://github.com/mit-han-lab/smoothquant.

Large language models (LLMs) have shown remarkable capabilities in various tasks. However their huge model size and the consequent demand for computational and memory resources also pose challenges to model deployment. Currently, 4-bit post-training quantization (PTQ) has achieved some success in LLMs, reducing the memory footprint by approximately 75% compared to FP16 models, albeit with some accuracy loss. In this paper, we propose SmoothQuant+, an accurate and efficient 4-bit weight-only PTQ that requires no additional training, which enables lossless in accuracy for LLMs for the first time. Based on the fact that the loss of weight quantization is amplified by the activation outliers, SmoothQuant+ smoothes the activation outliers by channel before quantization, while adjusting the corresponding weights for mathematical equivalence, and then performs group-wise 4-bit weight quantization for linear layers. We have integrated SmoothQuant+ into the vLLM framework, an advanced high-throughput inference engine specially developed for LLMs, and equipped it with an efficient W4A16 CUDA kernels, so that vLLM can seamlessly support SmoothQuant+ 4-bit weight quantization. Our results show that, with SmoothQuant+, the Code Llama-34B model can be quantized and deployed on a A100 40GB GPU, achieving lossless accuracy and a throughput increase of 1.9 to 4.0 times compared to the FP16 model deployed on two A100 40GB GPUs. Moreover, the latency per token is only 68% of the FP16 model deployed on two A100 40GB GPUs. This is the state-of-the-art 4-bit weight quantization for LLMs as we know.

Perception-enhanced pre-training, particularly through grounding techniques, is widely adopted to enhance the performance of graphical user interface (GUI) agents. However, in resource-constrained scenarios, the format discrepancy between coordinate-oriented grounding and action-oriented reasoning limits the effectiveness of grounding for reasoning tasks. To address this challenge, we propose a query-oriented pivot approach called query inference, which serves as a bridge between GUI grounding and reasoning. By inferring potential user queries from a screenshot and its associated element coordinates, query inference improves the understanding of coordinates while aligning more closely with reasoning tasks. Experimental results show that query inference outperforms previous grounding techniques under the same training data scale. Notably, query inference achieves comparable or even better performance to large-scale grounding-enhanced OS-Atlas with less than 0.1% of training data. Furthermore, we explore the impact of reasoning formats and demonstrate that integrating additional semantic information into the input further boosts reasoning performance. The code is publicly available at https://github.com/ZrW00/GUIPivot.

Improving the safety and reliability of large language models (LLMs) is a crucial aspect of realizing trustworthy AI systems. Although alignment methods aim to suppress harmful content generation, LLMs are often still vulnerable to jailbreaking attacks that employ adversarial inputs that subvert alignment and induce harmful outputs. We propose the Randomized Embedding Smoothing and Token Aggregation (RESTA) defense, which adds random noise to the embedding vectors and performs aggregation during the generation of each output token, with the aim of better preserving semantic information. Our experiments demonstrate that our approach achieves superior robustness versus utility tradeoffs compared to the baseline defenses.

Large language models (LLMs) are increasingly used in applications where LLM inputs may span many different tasks. Recent work has found that the choice of LLM is consequential, and different LLMs may be good for different input samples. Prior approaches have thus explored how engineers might select an LLM to use for each sample (i.e. routing). While existing routing methods mostly require training auxiliary models on human-annotated data, our work explores whether it is possible to perform unsupervised routing. We propose Smoothie, a weak supervision-inspired routing approach that requires no labeled data. Given a set of outputs from different LLMs, Smoothie constructs a latent variable graphical model over embedding representations of observable LLM outputs and unknown "true" outputs. Using this graphical model, we estimate sample-dependent quality scores for each LLM, and route each sample to the LLM with the highest corresponding score. We find that Smoothie's LLM quality-scores correlate with ground-truth model quality (correctly identifying the optimal model on 9/14 tasks), and that Smoothie outperforms baselines for routing by up to 10 points accuracy.

The task of few-shot GAN adaptation aims to adapt a pre-trained GAN model to a small dataset with very few training images. While existing methods perform well when the dataset for pre-training is structurally similar to the target dataset, the approaches suffer from training instabilities or memorization issues when the objects in the two domains have a very different structure. To mitigate this limitation, we propose a new smoothness similarity regularization that transfers the inherently learned smoothness of the pre-trained GAN to the few-shot target domain even if the two domains are very different. We evaluate our approach by adapting an unconditional and a class-conditional GAN to diverse few-shot target domains. Our proposed method significantly outperforms prior few-shot GAN adaptation methods in the challenging case of structurally dissimilar source-target domains, while performing on par with the state of the art for similar source-target domains.

Backdoor inversion, the process of finding a backdoor trigger inserted into a machine learning model, has become the pillar of many backdoor detection and defense methods. Previous works on backdoor inversion often recover the backdoor through an optimization process to flip a support set of clean images into the target class. However, it is rarely studied and understood how large this support set should be to recover a successful backdoor. In this work, we show that one can reliably recover the backdoor trigger with as few as a single image. Specifically, we propose the SmoothInv method, which first constructs a robust smoothed version of the backdoored classifier and then performs guided image synthesis towards the target class to reveal the backdoor pattern. SmoothInv requires neither an explicit modeling of the backdoor via a mask variable, nor any complex regularization schemes, which has become the standard practice in backdoor inversion methods. We perform both quantitaive and qualitative study on backdoored classifiers from previous published backdoor attacks. We demonstrate that compared to existing methods, SmoothInv is able to recover successful backdoors from single images, while maintaining high fidelity to the original backdoor. We also show how we identify the target backdoored class from the backdoored classifier. Last, we propose and analyze two countermeasures to our approach and show that SmoothInv remains robust in the face of an adaptive attacker. Our code is available at https://github.com/locuslab/smoothinv .

The generalization and learning speed of a multi-class neural network can often be significantly improved by using soft targets that are a weighted average of the hard targets and the uniform distribution over labels. Smoothing the labels in this way prevents the network from becoming over-confident and label smoothing has been used in many state-of-the-art models, including image classification, language translation and speech recognition. Despite its widespread use, label smoothing is still poorly understood. Here we show empirically that in addition to improving generalization, label smoothing improves model calibration which can significantly improve beam-search. However, we also observe that if a teacher network is trained with label smoothing, knowledge distillation into a student network is much less effective. To explain these observations, we visualize how label smoothing changes the representations learned by the penultimate layer of the network. We show that label smoothing encourages the representations of training examples from the same class to group in tight clusters. This results in loss of information in the logits about resemblances between instances of different classes, which is necessary for distillation, but does not hurt generalization or calibration of the model's predictions.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

Label smoothing -- using softened labels instead of hard ones -- is a widely adopted regularization method for deep learning, showing diverse benefits such as enhanced generalization and calibration. Its implications for preserving model privacy, however, have remained unexplored. To fill this gap, we investigate the impact of label smoothing on model inversion attacks (MIAs), which aim to generate class-representative samples by exploiting the knowledge encoded in a classifier, thereby inferring sensitive information about its training data. Through extensive analyses, we uncover that traditional label smoothing fosters MIAs, thereby increasing a model's privacy leakage. Even more, we reveal that smoothing with negative factors counters this trend, impeding the extraction of class-related information and leading to privacy preservation, beating state-of-the-art defenses. This establishes a practical and powerful novel way for enhancing model resilience against MIAs.

Large language models have demonstrated promising capabilities upon scaling up parameters. However, serving large language models incurs substantial computation and memory movement costs due to their large scale. Quantization methods have been employed to reduce service costs and latency. Nevertheless, outliers in activations hinder the development of INT4 weight-activation quantization. Existing approaches separate outliers and normal values into two matrices or migrate outliers from activations to weights, suffering from high latency or accuracy degradation. Based on observing activations from large language models, outliers can be classified into channel-wise and spike outliers. In this work, we propose Rotated Runtime Smooth (RRS), a plug-and-play activation smoother for quantization, consisting of Runtime Smooth and the Rotation operation. Runtime Smooth (RS) is introduced to eliminate channel-wise outliers by smoothing activations with channel-wise maximums during runtime. The rotation operation can narrow the gap between spike outliers and normal values, alleviating the effect of victims caused by channel-wise smoothing. The proposed method outperforms the state-of-the-art method in the LLaMA and Qwen families and improves WikiText-2 perplexity from 57.33 to 6.66 for INT4 inference.

Off-policy learning (OPL) aims at finding improved policies from logged bandit data, often by minimizing the inverse propensity scoring (IPS) estimator of the risk. In this work, we investigate a smooth regularization for IPS, for which we derive a two-sided PAC-Bayes generalization bound. The bound is tractable, scalable, interpretable and provides learning certificates. In particular, it is also valid for standard IPS without making the assumption that the importance weights are bounded. We demonstrate the relevance of our approach and its favorable performance through a set of learning tasks. Since our bound holds for standard IPS, we are able to provide insight into when regularizing IPS is useful. Namely, we identify cases where regularization might not be needed. This goes against the belief that, in practice, clipped IPS often enjoys favorable performance than standard IPS in OPL.

Emotion Support Conversation (ESC) is an emerging and challenging task with the goal of reducing the emotional distress of people. Previous attempts fail to maintain smooth transitions between utterances in ESC because they ignore to grasp the fine-grained transition information at each dialogue turn. To solve this problem, we propose to take into account turn-level state Transitions of ESC (TransESC) from three perspectives, including semantics transition, strategy transition and emotion transition, to drive the conversation in a smooth and natural way. Specifically, we construct the state transition graph with a two-step way, named transit-then-interact, to grasp such three types of turn-level transition information. Finally, they are injected into the transition-aware decoder to generate more engaging responses. Both automatic and human evaluations on the benchmark dataset demonstrate the superiority of TransESC to generate more smooth and effective supportive responses. Our source code is available at https://github.com/circle-hit/TransESC.

Various optimal gradient-based algorithms have been developed for smooth nonconvex optimization. However, many nonconvex machine learning problems do not belong to the class of smooth functions and therefore the existing algorithms are sub-optimal. Instead, these problems have been shown to satisfy certain generalized-smooth conditions, which have not been well understood in the existing literature. In this paper, we propose a notion of alpha-symmetric generalized-smoothness that extends the existing notions and covers many important functions such as high-order polynomials and exponential functions. We study the fundamental properties and establish descent lemmas for the functions in this class. Then, to solve such a large class of nonconvex problems, we design a special deterministic normalized gradient descent algorithm that achieves the optimal iteration complexity O(epsilon^{-2}), and also prove that the popular SPIDER variance reduction algorithm achieves the optimal sample complexity O(epsilon^{-3}) in the stochastic setting. Our results show that solving generalized-smooth nonconvex problems is as efficient as solving smooth nonconvex problems.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

The spectral smoothness properties of the low-frequency array of the Square Kilometer Array (SKA), namely SKA-Low, are an important issue for its scientific objectives to be attainable. A large array of 256 log-periodic dipole antennas, installed on top of a 42~m circular ground plane, will work as an SKA-Low station in the frequency range 50-350 MHz. In this article, the ground plane induced effects are examined in terms of antenna beam spectral characteristics, while different antenna placements are considered. Results are produced both at isolated antenna and at array level in the band 50-100 MHz, by employing an approximate method for the speeding-up of array simulations. We attempt to distinguish the ground plane effect from that of mutual coupling among antennas, which appears to be more severe at specific frequencies, using 2 figures of merit. The Discrete Fourier Transform (DFT) components of gain pattern ratios identify the fundamental spatial components of the ripple, while the Envelope Correlation Coefficient quantifies the penalty to considering an infinite ground plane.

Label Smoothing (LS) is widely adopted to curb overconfidence in neural network predictions and enhance generalization. However, previous research shows that LS can force feature representations into excessively tight clusters, eroding intra-class distinctions. More recent findings suggest that LS also induces overconfidence in misclassifications, yet the precise mechanism remained unclear. In this work, we decompose the loss term introduced by LS, revealing two key components: (i) a regularization term that functions only when the prediction is correct, and (ii) an error-enhancement term that emerges under misclassifications. This latter term compels the model to reinforce incorrect predictions with exaggerated certainty, further collapsing the feature space. To address these issues, we propose Max Suppression (MaxSup), which uniformly applies the intended regularization to both correct and incorrect predictions by penalizing the top-1 logit instead of the ground-truth logit. Through feature analyses, we show that MaxSup restores intra-class variation and sharpens inter-class boundaries. Extensive experiments on image classification and downstream tasks confirm that MaxSup is a more robust alternative to LS. Code is available at: https://github.com/ZhouYuxuanYX/Maximum-Suppression-Regularization.

Randomized Smoothing (RS) has been proven a promising method for endowing an arbitrary image classifier with certified robustness. However, the substantial uncertainty inherent in the high-dimensional isotropic Gaussian noise imposes the curse of dimensionality on RS. Specifically, the upper bound of {ell_2} certified robustness radius provided by RS exhibits a diminishing trend with the expansion of the input dimension d, proportionally decreasing at a rate of 1/d. This paper explores the feasibility of providing {ell_2} certified robustness for high-dimensional input through the utilization of dual smoothing in the lower-dimensional space. The proposed Dual Randomized Smoothing (DRS) down-samples the input image into two sub-images and smooths the two sub-images in lower dimensions. Theoretically, we prove that DRS guarantees a tight {ell_2} certified robustness radius for the original input and reveal that DRS attains a superior upper bound on the {ell_2} robustness radius, which decreases proportionally at a rate of (1/sqrt m + 1/sqrt n ) with m+n=d. Extensive experiments demonstrate the generalizability and effectiveness of DRS, which exhibits a notable capability to integrate with established methodologies, yielding substantial improvements in both accuracy and {ell_2} certified robustness baselines of RS on the CIFAR-10 and ImageNet datasets. Code is available at https://github.com/xiasong0501/DRS.

Label smoothing (LS) is a popular regularisation method for training deep neural network classifiers due to its effectiveness in improving test accuracy and its simplicity in implementation. "Hard" one-hot labels are "smoothed" by uniformly distributing probability mass to other classes, reducing overfitting. In this work, we reveal that LS negatively affects selective classification (SC) - where the aim is to reject misclassifications using a model's predictive uncertainty. We first demonstrate empirically across a range of tasks and architectures that LS leads to a consistent degradation in SC. We then explain this by analysing logit-level gradients, showing that LS exacerbates overconfidence and underconfidence by regularising the max logit more when the probability of error is low, and less when the probability of error is high. This elucidates previously reported experimental results where strong classifiers underperform in SC. We then demonstrate the empirical effectiveness of logit normalisation for recovering lost SC performance caused by LS. Furthermore, based on our gradient analysis, we explain why such normalisation is effective. We will release our code shortly.

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius in this context is a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, i.e. its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. To increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.

Randomized smoothing-based certification is an effective approach for obtaining robustness certificates of deep neural networks (DNNs) against adversarial attacks. This method constructs a smoothed DNN model and certifies its robustness through statistical sampling, but it is computationally expensive, especially when certifying with a large number of samples. Furthermore, when the smoothed model is modified (e.g., quantized or pruned), certification guarantees may not hold for the modified DNN, and recertifying from scratch can be prohibitively expensive. We present the first approach for incremental robustness certification for randomized smoothing, IRS. We show how to reuse the certification guarantees for the original smoothed model to certify an approximated model with very few samples. IRS significantly reduces the computational cost of certifying modified DNNs while maintaining strong robustness guarantees. We experimentally demonstrate the effectiveness of our approach, showing up to 3x certification speedup over the certification that applies randomized smoothing of the approximate model from scratch.

The study of provable adversarial robustness for deep neural networks (DNNs) has mainly focused on static supervised learning tasks such as image classification. However, DNNs have been used extensively in real-world adaptive tasks such as reinforcement learning (RL), making such systems vulnerable to adversarial attacks as well. Prior works in provable robustness in RL seek to certify the behaviour of the victim policy at every time-step against a non-adaptive adversary using methods developed for the static setting. But in the real world, an RL adversary can infer the defense strategy used by the victim agent by observing the states, actions, etc., from previous time-steps and adapt itself to produce stronger attacks in future steps. We present an efficient procedure, designed specifically to defend against an adaptive RL adversary, that can directly certify the total reward without requiring the policy to be robust at each time-step. Our main theoretical contribution is to prove an adaptive version of the Neyman-Pearson Lemma -- a key lemma for smoothing-based certificates -- where the adversarial perturbation at a particular time can be a stochastic function of current and previous observations and states as well as previous actions. Building on this result, we propose policy smoothing where the agent adds a Gaussian noise to its observation at each time-step before passing it through the policy function. Our robustness certificates guarantee that the final total reward obtained by policy smoothing remains above a certain threshold, even though the actions at intermediate time-steps may change under the attack. Our experiments on various environments like Cartpole, Pong, Freeway and Mountain Car show that our method can yield meaningful robustness guarantees in practice.

Label smoothing regularization (LSR) has a great success in training deep neural networks by stochastic algorithms such as stochastic gradient descent and its variants. However, the theoretical understanding of its power from the view of optimization is still rare. This study opens the door to a deep understanding of LSR by initiating the analysis. In this paper, we analyze the convergence behaviors of stochastic gradient descent with label smoothing regularization for solving non-convex problems and show that an appropriate LSR can help to speed up the convergence by reducing the variance. More interestingly, we proposed a simple yet effective strategy, namely Two-Stage LAbel smoothing algorithm (TSLA), that uses LSR in the early training epochs and drops it off in the later training epochs. We observe from the improved convergence result of TSLA that it benefits from LSR in the first stage and essentially converges faster in the second stage. To the best of our knowledge, this is the first work for understanding the power of LSR via establishing convergence complexity of stochastic methods with LSR in non-convex optimization. We empirically demonstrate the effectiveness of the proposed method in comparison with baselines on training ResNet models over benchmark data sets.

3D scene generation has quickly become a challenging new research direction, fueled by consistent improvements of 2D generative diffusion models. Most prior work in this area generates scenes by iteratively stitching newly generated frames with existing geometry. These works often depend on pre-trained monocular depth estimators to lift the generated images into 3D, fusing them with the existing scene representation. These approaches are then often evaluated via a text metric, measuring the similarity between the generated images and a given text prompt. In this work, we make two fundamental contributions to the field of 3D scene generation. First, we note that lifting images to 3D with a monocular depth estimation model is suboptimal as it ignores the geometry of the existing scene. We thus introduce a novel depth completion model, trained via teacher distillation and self-training to learn the 3D fusion process, resulting in improved geometric coherence of the scene. Second, we introduce a new benchmarking scheme for scene generation methods that is based on ground truth geometry, and thus measures the quality of the structure of the scene.

Controlling the attribute intensity of text generation is crucial across scenarios (e.g., writing conciseness, chatting emotion, and explanation clarity). The remarkable capabilities of large language models (LLMs) have revolutionized text generation, prompting us to explore such smooth control of LLM generation. Specifically, we propose metrics to assess the range, calibration, and consistency of the generated text's attribute intensity in response to varying control values, as well as its relevance to the intended context. To quantify the attribute intensity and context relevance, we propose an effective evaluation framework leveraging the Elo rating system and GPT4, both renowned for their robust alignment with human judgment. We look into two viable training-free methods for achieving smooth control of LLMs: (1) Prompting with semantic shifters, and (2) Modifying internal model representations. The evaluations of these two methods are conducted on 5 different attributes with various models. Our code and dataset can be obtained from https://github.com/ShangDataLab/Smooth-Control.

This work investigates the compatibility between label smoothing (LS) and knowledge distillation (KD). Contemporary findings addressing this thesis statement take dichotomous standpoints: Muller et al. (2019) and Shen et al. (2021b). Critically, there is no effort to understand and resolve these contradictory findings, leaving the primal question -- to smooth or not to smooth a teacher network? -- unanswered. The main contributions of our work are the discovery, analysis and validation of systematic diffusion as the missing concept which is instrumental in understanding and resolving these contradictory findings. This systematic diffusion essentially curtails the benefits of distilling from an LS-trained teacher, thereby rendering KD at increased temperatures ineffective. Our discovery is comprehensively supported by large-scale experiments, analyses and case studies including image classification, neural machine translation and compact student distillation tasks spanning across multiple datasets and teacher-student architectures. Based on our analysis, we suggest practitioners to use an LS-trained teacher with a low-temperature transfer to achieve high performance students. Code and models are available at https://keshik6.github.io/revisiting-ls-kd-compatibility/

Bilevel optimization is an important formulation for many machine learning problems. Current bilevel optimization algorithms assume that the gradient of the upper-level function is Lipschitz. However, recent studies reveal that certain neural networks such as recurrent neural networks (RNNs) and long-short-term memory networks (LSTMs) exhibit potential unbounded smoothness, rendering conventional bilevel optimization algorithms unsuitable. In this paper, we design a new bilevel optimization algorithm, namely BO-REP, to address this challenge. This algorithm updates the upper-level variable using normalized momentum and incorporates two novel techniques for updating the lower-level variable: initialization refinement and periodic updates. Specifically, once the upper-level variable is initialized, a subroutine is invoked to obtain a refined estimate of the corresponding optimal lower-level variable, and the lower-level variable is updated only after every specific period instead of each iteration. When the upper-level problem is nonconvex and unbounded smooth, and the lower-level problem is strongly convex, we prove that our algorithm requires mathcal{O}(1/epsilon^4) iterations to find an epsilon-stationary point in the stochastic setting, where each iteration involves calling a stochastic gradient or Hessian-vector product oracle. Notably, this result matches the state-of-the-art complexity results under the bounded smoothness setting and without mean-squared smoothness of the stochastic gradient, up to logarithmic factors. Our proof relies on novel technical lemmas for the periodically updated lower-level variable, which are of independent interest. Our experiments on hyper-representation learning, hyperparameter optimization, and data hyper-cleaning for text classification tasks demonstrate the effectiveness of our proposed algorithm.

Although existing speech-driven talking face generation methods achieve significant progress, they are far from real-world application due to the avatar-specific training demand and unstable lip movements. To address the above issues, we propose the GSmoothFace, a novel two-stage generalized talking face generation model guided by a fine-grained 3d face model, which can synthesize smooth lip dynamics while preserving the speaker's identity. Our proposed GSmoothFace model mainly consists of the Audio to Expression Prediction (A2EP) module and the Target Adaptive Face Translation (TAFT) module. Specifically, we first develop the A2EP module to predict expression parameters synchronized with the driven speech. It uses a transformer to capture the long-term audio context and learns the parameters from the fine-grained 3D facial vertices, resulting in accurate and smooth lip-synchronization performance. Afterward, the well-designed TAFT module, empowered by Morphology Augmented Face Blending (MAFB), takes the predicted expression parameters and target video as inputs to modify the facial region of the target video without distorting the background content. The TAFT effectively exploits the identity appearance and background context in the target video, which makes it possible to generalize to different speakers without retraining. Both quantitative and qualitative experiments confirm the superiority of our method in terms of realism, lip synchronization, and visual quality. See the project page for code, data, and request pre-trained models: https://zhanghm1995.github.io/GSmoothFace.

3D pose estimation is an invaluable task in computer vision with various practical applications. Especially, 3D pose estimation for multi-person from a monocular video (3DMPPE) is particularly challenging and is still largely uncharted, far from applying to in-the-wild scenarios yet. We pose three unresolved issues with the existing methods: lack of robustness on unseen views during training, vulnerability to occlusion, and severe jittering in the output. As a remedy, we propose POTR-3D, the first realization of a sequence-to-sequence 2D-to-3D lifting model for 3DMPPE, powered by a novel geometry-aware data augmentation strategy, capable of generating unbounded data with a variety of views while caring about the ground plane and occlusions. Through extensive experiments, we verify that the proposed model and data augmentation robustly generalizes to diverse unseen views, robustly recovers the poses against heavy occlusions, and reliably generates more natural and smoother outputs. The effectiveness of our approach is verified not only by achieving the state-of-the-art performance on public benchmarks, but also by qualitative results on more challenging in-the-wild videos. Demo videos are available at https://www.youtube.com/@potr3d.

Fast adversarial training (FAT) is beneficial for improving the adversarial robustness of neural networks. However, previous FAT work has encountered a significant issue known as catastrophic overfitting when dealing with large perturbation budgets, \ie the adversarial robustness of models declines to near zero during training. To address this, we analyze the training process of prior FAT work and observe that catastrophic overfitting is accompanied by the appearance of loss convergence outliers. Therefore, we argue a moderately smooth loss convergence process will be a stable FAT process that solves catastrophic overfitting. To obtain a smooth loss convergence process, we propose a novel oscillatory constraint (dubbed ConvergeSmooth) to limit the loss difference between adjacent epochs. The convergence stride of ConvergeSmooth is introduced to balance convergence and smoothing. Likewise, we design weight centralization without introducing additional hyperparameters other than the loss balance coefficient. Our proposed methods are attack-agnostic and thus can improve the training stability of various FAT techniques. Extensive experiments on popular datasets show that the proposed methods efficiently avoid catastrophic overfitting and outperform all previous FAT methods. Code is available at https://github.com/FAT-CS/ConvergeSmooth.

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".

The ability to engineer novel proteins with higher fitness for a desired property would be revolutionary for biotechnology and medicine. Modeling the combinatorially large space of sequences is infeasible; prior methods often constrain optimization to a small mutational radius, but this drastically limits the design space. Instead of heuristics, we propose smoothing the fitness landscape to facilitate protein optimization. First, we formulate protein fitness as a graph signal then use Tikunov regularization to smooth the fitness landscape. We find optimizing in this smoothed landscape leads to improved performance across multiple methods in the GFP and AAV benchmarks. Second, we achieve state-of-the-art results utilizing discrete energy-based models and MCMC in the smoothed landscape. Our method, called Gibbs sampling with Graph-based Smoothing (GGS), demonstrates a unique ability to achieve 2.5 fold fitness improvement (with in-silico evaluation) over its training set. GGS demonstrates potential to optimize proteins in the limited data regime. Code: https://github.com/kirjner/GGS

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.

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.

Domain adversarial training has been ubiquitous for achieving invariant representations and is used widely for various domain adaptation tasks. In recent times, methods converging to smooth optima have shown improved generalization for supervised learning tasks like classification. In this work, we analyze the effect of smoothness enhancing formulations on domain adversarial training, the objective of which is a combination of task loss (eg. classification, regression, etc.) and adversarial terms. We find that converging to a smooth minima with respect to (w.r.t.) task loss stabilizes the adversarial training leading to better performance on target domain. In contrast to task loss, our analysis shows that converging to smooth minima w.r.t. adversarial loss leads to sub-optimal generalization on the target domain. Based on the analysis, we introduce the Smooth Domain Adversarial Training (SDAT) procedure, which effectively enhances the performance of existing domain adversarial methods for both classification and object detection tasks. Our analysis also provides insight into the extensive usage of SGD over Adam in the community for domain adversarial training.

A jump cut offers an abrupt, sometimes unwanted change in the viewing experience. We present a novel framework for smoothing these jump cuts, in the context of talking head videos. We leverage the appearance of the subject from the other source frames in the video, fusing it with a mid-level representation driven by DensePose keypoints and face landmarks. To achieve motion, we interpolate the keypoints and landmarks between the end frames around the cut. We then use an image translation network from the keypoints and source frames, to synthesize pixels. Because keypoints can contain errors, we propose a cross-modal attention scheme to select and pick the most appropriate source amongst multiple options for each key point. By leveraging this mid-level representation, our method can achieve stronger results than a strong video interpolation baseline. We demonstrate our method on various jump cuts in the talking head videos, such as cutting filler words, pauses, and even random cuts. Our experiments show that we can achieve seamless transitions, even in the challenging cases where the talking head rotates or moves drastically in the jump cut.

Reinforcement Learning from Human Feedback (RLHF) is a pivotal technique that aligns language models closely with human-centric values. The initial phase of RLHF involves learning human values using a reward model from ranking data. It is observed that the performance of the reward model degrades after one epoch of training, and optimizing too much against the learned reward model eventually hinders the true objective. This paper delves into these issues, leveraging the theoretical insights to design improved reward learning algorithm termed 'Iterative Data Smoothing' (IDS). The core idea is that during each training epoch, we not only update the model with the data, but also update the date using the model, replacing hard labels with soft labels. Our empirical findings highlight the superior performance of this approach over the traditional methods.

Machine Learning (ML) models have been utilized for malware detection for over two decades. Consequently, this ignited an ongoing arms race between malware authors and antivirus systems, compelling researchers to propose defenses for malware-detection models against evasion attacks. However, most if not all existing defenses against evasion attacks suffer from sizable performance degradation and/or can defend against only specific attacks, which makes them less practical in real-world settings. In this work, we develop a certified defense, DRSM (De-Randomized Smoothed MalConv), by redesigning the de-randomized smoothing technique for the domain of malware detection. Specifically, we propose a window ablation scheme to provably limit the impact of adversarial bytes while maximally preserving local structures of the executables. After showing how DRSM is theoretically robust against attacks with contiguous adversarial bytes, we verify its performance and certified robustness experimentally, where we observe only marginal accuracy drops as the cost of robustness. To our knowledge, we are the first to offer certified robustness in the realm of static detection of malware executables. More surprisingly, through evaluating DRSM against 9 empirical attacks of different types, we observe that the proposed defense is empirically robust to some extent against a diverse set of attacks, some of which even fall out of the scope of its original threat model. In addition, we collected 15.5K recent benign raw executables from diverse sources, which will be made public as a dataset called PACE (Publicly Accessible Collection(s) of Executables) to alleviate the scarcity of publicly available benign datasets for studying malware detection and provide future research with more representative data of the time.

The training of score-based diffusion models (SDMs) is based on score matching. The challenge of score matching is that it includes a computationally expensive Jacobian trace. While several methods have been proposed to avoid this computation, each has drawbacks, such as instability during training and approximating the learning as learning a denoising vector field rather than a true score. We propose a novel score matching variant, local curvature smoothing with Stein's identity (LCSS). The LCSS bypasses the Jacobian trace by applying Stein's identity, enabling regularization effectiveness and efficient computation. We show that LCSS surpasses existing methods in sample generation performance and matches the performance of denoising score matching, widely adopted by most SDMs, in evaluations such as FID, Inception score, and bits per dimension. Furthermore, we show that LCSS enables realistic image generation even at a high resolution of 1024 times 1024.

Breakthroughs in machine learning (ML) and advances in quantum computing (QC) drive the interdisciplinary field of quantum machine learning to new levels. However, due to the susceptibility of ML models to adversarial attacks, practical use raises safety-critical concerns. Existing Randomized Smoothing (RS) certification methods for classical machine learning models are computationally intensive. In this paper, we propose the combination of QC and the concept of discrete randomized smoothing to speed up the stochastic certification of ML models for discrete data. We show how to encode all the perturbations of the input binary data in superposition and use Quantum Amplitude Estimation (QAE) to obtain a quadratic reduction in the number of calls to the model that are required compared to traditional randomized smoothing techniques. In addition, we propose a new binary threat model to allow for an extensive evaluation of our approach on images, graphs, and text.

Multi-object tracking (MOT) is the task of estimating the state trajectories of an unknown and time-varying number of objects over a certain time window. Several algorithms have been proposed to tackle the multi-object smoothing task, where object detections can be conditioned on all the measurements in the time window. However, the best-performing methods suffer from intractable computational complexity and require approximations, performing suboptimally in complex settings. Deep learning based algorithms are a possible venue for tackling this issue but have not been applied extensively in settings where accurate multi-object models are available and measurements are low-dimensional. We propose a novel DL architecture specifically tailored for this setting that decouples the data association task from the smoothing task. We compare the performance of the proposed smoother to the state-of-the-art in different tasks of varying difficulty and provide, to the best of our knowledge, the first comparison between traditional Bayesian trackers and DL trackers in the smoothing problem setting.

Large pre-trained language models achieve impressive results across many tasks. However, recent works point out that pre-trained language models may memorize a considerable fraction of their training data, leading to the privacy risk of information leakage. In this paper, we propose a method named Ethicist for targeted training data extraction through loss smoothed soft prompting and calibrated confidence estimation, investigating how to recover the suffix in the training data when given a prefix. To elicit memorization in the attacked model, we tune soft prompt embeddings while keeping the model fixed. We further propose a smoothing loss that smooths the loss distribution of the suffix tokens to make it easier to sample the correct suffix. In order to select the most probable suffix from a collection of sampled suffixes and estimate the prediction confidence, we propose a calibrated confidence estimation method, which normalizes the confidence of the generated suffixes with a local estimation. We show that Ethicist significantly improves the extraction performance on a recently proposed public benchmark. We also investigate several factors influencing the data extraction performance, including decoding strategy, model scale, prefix length, and suffix length. Our code is available at https://github.com/thu-coai/Targeted-Data-Extraction.

Backward Filtering Forward Guiding (BFFG) is a bidirectional algorithm proposed in Mider et al. [2021] and studied more in depth in a general setting in Van der Meulen and Schauer [2022]. In category theory, optics have been proposed for modelling systems with bidirectional data flow. We connect BFFG with optics and prove that different ways of composing the building blocks of BFFG correspond to equivalent optics.

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

In designing and applying graph neural networks, we often fall into some optimization pitfalls, the most deceptive of which is that we can only build a deep model by solving over-smoothing. The fundamental reason is that we do not understand how graph neural networks work. Stress graph drawing can offer a unique viewpoint to message iteration in the graph, such as the root of the over-smoothing problem lies in the inability of graph models to maintain an ideal distance between nodes. We further elucidate the trigger conditions of over-smoothing and propose Stress Graph Neural Networks. By introducing the attractive and repulsive message passing from stress iteration, we show how to build a deep model without preventing over-smoothing, how to use repulsive information, and how to optimize the current message-passing scheme to approximate the full stress message propagation. By performing different tasks on 23 datasets, we verified the effectiveness of our attractive and repulsive models and the derived relationship between stress iteration and graph neural networks. We believe that stress graph drawing will be a popular resource for understanding and designing graph neural networks.

Models that can predict the occurrence of events ahead of time with low false-alarm rates are critical to the acceptance of decision support systems in the medical community. This challenging task is typically treated as a simple binary classification, ignoring temporal dependencies between samples, whereas we propose to exploit this structure. We first introduce a common theoretical framework unifying dynamic survival analysis and early event prediction. Following an analysis of objectives from both fields, we propose Temporal Label Smoothing (TLS), a simpler, yet best-performing method that preserves prediction monotonicity over time. By focusing the objective on areas with a stronger predictive signal, TLS improves performance over all baselines on two large-scale benchmark tasks. Gains are particularly notable along clinically relevant measures, such as event recall at low false-alarm rates. TLS reduces the number of missed events by up to a factor of two over previously used approaches in early event prediction.

Candidate generation is the first stage in recommendation systems, where a light-weight system is used to retrieve potentially relevant items for an input user. These candidate items are then ranked and pruned in later stages of recommender systems using a more complex ranking model. Since candidate generation is the top of the recommendation funnel, it is important to retrieve a high-recall candidate set to feed into downstream ranking models. A common approach for candidate generation is to leverage approximate nearest neighbor (ANN) search from a single dense query embedding; however, this approach this can yield a low-diversity result set with many near duplicates. As users often have multiple interests, candidate retrieval should ideally return a diverse set of candidates reflective of the user's multiple interests. To this end, we introduce kNN-Embed, a general approach to improving diversity in dense ANN-based retrieval. kNN-Embed represents each user as a smoothed mixture over learned item clusters that represent distinct `interests' of the user. By querying each of a user's mixture component in proportion to their mixture weights, we retrieve a high-diversity set of candidates reflecting elements from each of a user's interests. We experimentally compare kNN-Embed to standard ANN candidate retrieval, and show significant improvements in overall recall and improved diversity across three datasets. Accompanying this work, we open source a large Twitter follow-graph dataset, to spur further research in graph-mining and representation learning for recommender systems.

Transformers have been actively studied for time-series forecasting in recent years. While often showing promising results in various scenarios, traditional Transformers are not designed to fully exploit the characteristics of time-series data and thus suffer some fundamental limitations, e.g., they generally lack of decomposition capability and interpretability, and are neither effective nor efficient for long-term forecasting. In this paper, we propose ETSFormer, a novel time-series Transformer architecture, which exploits the principle of exponential smoothing in improving Transformers for time-series forecasting. In particular, inspired by the classical exponential smoothing methods in time-series forecasting, we propose the novel exponential smoothing attention (ESA) and frequency attention (FA) to replace the self-attention mechanism in vanilla Transformers, thus improving both accuracy and efficiency. Based on these, we redesign the Transformer architecture with modular decomposition blocks such that it can learn to decompose the time-series data into interpretable time-series components such as level, growth and seasonality. Extensive experiments on various time-series benchmarks validate the efficacy and advantages of the proposed method. Code is available at https://github.com/salesforce/ETSformer.

Fair representation learning transforms user data into a representation that ensures fairness and utility regardless of the downstream application. However, learning individually fair representations, i.e., guaranteeing that similar individuals are treated similarly, remains challenging in high-dimensional settings such as computer vision. In this work, we introduce LASSI, the first representation learning method for certifying individual fairness of high-dimensional data. Our key insight is to leverage recent advances in generative modeling to capture the set of similar individuals in the generative latent space. This enables us to learn individually fair representations that map similar individuals close together by using adversarial training to minimize the distance between their representations. Finally, we employ randomized smoothing to provably map similar individuals close together, in turn ensuring that local robustness verification of the downstream application results in end-to-end fairness certification. Our experimental evaluation on challenging real-world image data demonstrates that our method increases certified individual fairness by up to 90% without significantly affecting task utility.

Certified patch defenses can guarantee robustness of an image classifier to arbitrary changes within a bounded contiguous region. But, currently, this robustness comes at a cost of degraded standard accuracies and slower inference times. We demonstrate how using vision transformers enables significantly better certified patch robustness that is also more computationally efficient and does not incur a substantial drop in standard accuracy. These improvements stem from the inherent ability of the vision transformer to gracefully handle largely masked images. Our code is available at https://github.com/MadryLab/smoothed-vit.

Generalized zero-shot learning (GZSL) is the problem of learning a classifier where some classes have samples and others are learned from side information, like semantic attributes or text description, in a zero-shot learning fashion (ZSL). Training a single model that operates in these two regimes simultaneously is challenging. Here we describe a probabilistic approach that breaks the model into three modular components, and then combines them in a consistent way. Specifically, our model consists of three classifiers: A "gating" model that makes soft decisions if a sample is from a "seen" class, and two experts: a ZSL expert, and an expert model for seen classes. We address two main difficulties in this approach: How to provide an accurate estimate of the gating probability without any training samples for unseen classes; and how to use expert predictions when it observes samples outside of its domain. The key insight to our approach is to pass information between the three models to improve each one's accuracy, while maintaining the modular structure. We test our approach, adaptive confidence smoothing (COSMO), on four standard GZSL benchmark datasets and find that it largely outperforms state-of-the-art GZSL models. COSMO is also the first model that closes the gap and surpasses the performance of generative models for GZSL, even-though it is a light-weight model that is much easier to train and tune. Notably, COSMO offers a new view for developing zero-shot models. Thanks to COSMO's modular structure, instead of trying to perform well both on seen and on unseen classes, models can focus on accurate classification of unseen classes, and later consider seen class models.

The loss landscape of neural networks is a critical aspect of their training, and understanding its properties is essential for improving their performance. In this paper, we investigate how the loss surface changes when the sample size increases, a previously unexplored issue. We theoretically analyze the convergence of the loss landscape in a fully connected neural network and derive upper bounds for the difference in loss function values when adding a new object to the sample. Our empirical study confirms these results on various datasets, demonstrating the convergence of the loss function surface for image classification tasks. Our findings provide insights into the local geometry of neural loss landscapes and have implications for the development of sample size determination techniques.

Reconstruction of static visual stimuli from non-invasion brain activity fMRI achieves great success, owning to advanced deep learning models such as CLIP and Stable Diffusion. However, the research on fMRI-to-video reconstruction remains limited since decoding the spatiotemporal perception of continuous visual experiences is formidably challenging. We contend that the key to addressing these challenges lies in accurately decoding both high-level semantics and low-level perception flows, as perceived by the brain in response to video stimuli. To the end, we propose NeuroClips, an innovative framework to decode high-fidelity and smooth video from fMRI. NeuroClips utilizes a semantics reconstructor to reconstruct video keyframes, guiding semantic accuracy and consistency, and employs a perception reconstructor to capture low-level perceptual details, ensuring video smoothness. During inference, it adopts a pre-trained T2V diffusion model injected with both keyframes and low-level perception flows for video reconstruction. Evaluated on a publicly available fMRI-video dataset, NeuroClips achieves smooth high-fidelity video reconstruction of up to 6s at 8FPS, gaining significant improvements over state-of-the-art models in various metrics, e.g., a 128% improvement in SSIM and an 81% improvement in spatiotemporal metrics. Our project is available at https://github.com/gongzix/NeuroClips.

Training neural networks requires optimizing a loss function that may be highly irregular, and in particular neither convex nor smooth. Popular training algorithms are based on stochastic gradient descent with momentum (SGDM), for which classical analysis applies only if the loss is either convex or smooth. We show that a very small modification to SGDM closes this gap: simply scale the update at each time point by an exponentially distributed random scalar. The resulting algorithm achieves optimal convergence guarantees. Intriguingly, this result is not derived by a specific analysis of SGDM: instead, it falls naturally out of a more general framework for converting online convex optimization algorithms to non-convex optimization algorithms.

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

We address the problem of network calibration adjusting miscalibrated confidences of deep neural networks. Many approaches to network calibration adopt a regularization-based method that exploits a regularization term to smooth the miscalibrated confidences. Although these approaches have shown the effectiveness on calibrating the networks, there is still a lack of understanding on the underlying principles of regularization in terms of network calibration. We present in this paper an in-depth analysis of existing regularization-based methods, providing a better understanding on how they affect to network calibration. Specifically, we have observed that 1) the regularization-based methods can be interpreted as variants of label smoothing, and 2) they do not always behave desirably. Based on the analysis, we introduce a novel loss function, dubbed ACLS, that unifies the merits of existing regularization methods, while avoiding the limitations. We show extensive experimental results for image classification and semantic segmentation on standard benchmarks, including CIFAR10, Tiny-ImageNet, ImageNet, and PASCAL VOC, demonstrating the effectiveness of our loss function.

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Structured State Space Models (SSMs) have emerged as alternatives to transformers. While SSMs are often regarded as effective in capturing long-sequence dependencies, we rigorously demonstrate that they are inherently limited by strong recency bias. Our empirical studies also reveal that this bias impairs the models' ability to recall distant information and introduces robustness issues. Our scaling experiments then discovered that deeper structures in SSMs can facilitate the learning of long contexts. However, subsequent theoretical analysis reveals that as SSMs increase in depth, they exhibit another inevitable tendency toward over-smoothing, e.g., token representations becoming increasingly indistinguishable. This fundamental dilemma between recency and over-smoothing hinders the scalability of existing SSMs. Inspired by our theoretical findings, we propose to polarize two channels of the state transition matrices in SSMs, setting them to zero and one, respectively, simultaneously addressing recency bias and over-smoothing. Experiments demonstrate that our polarization technique consistently enhances the associative recall accuracy of long-range tokens and unlocks SSMs to benefit further from deeper architectures. All source codes are released at https://github.com/VITA-Group/SSM-Bottleneck.

Halo artifacts significantly impact display quality. We propose a method to reduce halos in Local Histogram Equalization (LHE) algorithms by separately addressing dark and light variants. This approach results in visually natural images by exploring the relationship between lateral inhibition and halo artifacts in the human visual system.

Diffusion Transformers (DiTs) have recently attracted significant interest from both industry and academia due to their enhanced capabilities in visual generation, surpassing the performance of traditional diffusion models that employ U-Net. However, the improved performance of DiTs comes at the expense of higher parameter counts and implementation costs, which significantly limits their deployment on resource-constrained devices like mobile phones. We propose DiTAS, a data-free post-training quantization (PTQ) method for efficient DiT inference. DiTAS relies on the proposed temporal-aggregated smoothing techniques to mitigate the impact of the channel-wise outliers within the input activations, leading to much lower quantization error under extremely low bitwidth. To further enhance the performance of the quantized DiT, we adopt the layer-wise grid search strategy to optimize the smoothing factor. Experimental results demonstrate that our approach enables 4-bit weight, 8-bit activation (W4A8) quantization for DiTs while maintaining comparable performance as the full-precision model.

Certification for machine learning is proving that no adversarial sample can evade a model within a range under certain conditions, a necessity for safety-critical domains. Common certification methods for segmentation use a flat set of fine-grained classes, leading to high abstain rates due to model uncertainty across many classes. We propose a novel, more practical setting, which certifies pixels within a multi-level hierarchy, and adaptively relaxes the certification to a coarser level for unstable components classic methods would abstain from, effectively lowering the abstain rate whilst providing more certified semantically meaningful information. We mathematically formulate the problem setup, introduce an adaptive hierarchical certification algorithm and prove the correctness of its guarantees. Since certified accuracy does not take the loss of information into account for coarser classes, we introduce the Certified Information Gain (CIG) metric, which is proportional to the class granularity level. Our extensive experiments on the datasets Cityscapes, PASCAL-Context, ACDC and COCO-Stuff demonstrate that our adaptive algorithm achieves a higher CIG and lower abstain rate compared to the current state-of-the-art certification method. Our code can be found here: https://github.com/AlaaAnani/adaptive-certify.

Offline reinforcement learning (RL) provides a promising direction to exploit massive amount of offline data for complex decision-making tasks. Due to the distribution shift issue, current offline RL algorithms are generally designed to be conservative in value estimation and action selection. However, such conservatism can impair the robustness of learned policies when encountering observation deviation under realistic conditions, such as sensor errors and adversarial attacks. To trade off robustness and conservatism, we propose Robust Offline Reinforcement Learning (RORL) with a novel conservative smoothing technique. In RORL, we explicitly introduce regularization on the policy and the value function for states near the dataset, as well as additional conservative value estimation on these states. Theoretically, we show RORL enjoys a tighter suboptimality bound than recent theoretical results in linear MDPs. We demonstrate that RORL can achieve state-of-the-art performance on the general offline RL benchmark and is considerably robust to adversarial observation perturbations.

Despite the effectiveness of recurrent neural network language models, their maximum likelihood estimation suffers from two limitations. It treats all sentences that do not match the ground truth as equally poor, ignoring the structure of the output space. Second, it suffers from "exposure bias": during training tokens are predicted given ground-truth sequences, while at test time prediction is conditioned on generated output sequences. To overcome these limitations we build upon the recent reward augmented maximum likelihood approach \ie sequence-level smoothing that encourages the model to predict sentences close to the ground truth according to a given performance metric. We extend this approach to token-level loss smoothing, and propose improvements to the sequence-level smoothing approach. Our experiments on two different tasks, image captioning and machine translation, show that token-level and sequence-level loss smoothing are complementary, and significantly improve results.

This paper provides the first tight convergence analyses for RMSProp and Adam in non-convex optimization under the most relaxed assumptions of coordinate-wise generalized smoothness and affine noise variance. We first analyze RMSProp, which is a special case of Adam with adaptive learning rates but without first-order momentum. Specifically, to solve the challenges due to dependence among adaptive update, unbounded gradient estimate and Lipschitz constant, we demonstrate that the first-order term in the descent lemma converges and its denominator is upper bounded by a function of gradient norm. Based on this result, we show that RMSProp with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). We then generalize our analysis to Adam, where the additional challenge is due to a mismatch between the gradient and first-order momentum. We develop a new upper bound on the first-order term in the descent lemma, which is also a function of the gradient norm. We show that Adam with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). Our complexity results for both RMSProp and Adam match with the complexity lower bound established in arjevani2023lower.

Real-world data tends to follow a long-tailed distribution, where the class imbalance results in dominance of the head classes during training. In this paper, we propose a frustratingly simple but effective step-wise learning framework to gradually enhance the capability of the model in detecting all categories of long-tailed datasets. Specifically, we build smooth-tail data where the long-tailed distribution of categories decays smoothly to correct the bias towards head classes. We pre-train a model on the whole long-tailed data to preserve discriminability between all categories. We then fine-tune the class-agnostic modules of the pre-trained model on the head class dominant replay data to get a head class expert model with improved decision boundaries from all categories. Finally, we train a unified model on the tail class dominant replay data while transferring knowledge from the head class expert model to ensure accurate detection of all categories. Extensive experiments on long-tailed datasets LVIS v0.5 and LVIS v1.0 demonstrate the superior performance of our method, where we can improve the AP with ResNet-50 backbone from 27.0% to 30.3% AP, and especially for the rare categories from 15.5% to 24.9% AP. Our best model using ResNet-101 backbone can achieve 30.7% AP, which suppresses all existing detectors using the same backbone.

While prior research has proposed a plethora of methods that build neural classifiers robust against adversarial robustness, practitioners are still reluctant to adopt them due to their unacceptably severe clean accuracy penalties. This paper significantly alleviates this accuracy-robustness trade-off by mixing the output probabilities of a standard classifier and a robust classifier, where the standard network is optimized for clean accuracy and is not robust in general. We show that the robust base classifier's confidence difference for correct and incorrect examples is the key to this improvement. In addition to providing intuitions and empirical evidence, we theoretically certify the robustness of the mixed classifier under realistic assumptions. Furthermore, we adapt an adversarial input detector into a mixing network that adaptively adjusts the mixture of the two base models, further reducing the accuracy penalty of achieving robustness. The proposed flexible method, termed "adaptive smoothing", can work in conjunction with existing or even future methods that improve clean accuracy, robustness, or adversary detection. Our empirical evaluation considers strong attack methods, including AutoAttack and adaptive attack. On the CIFAR-100 dataset, our method achieves an 85.21% clean accuracy while maintaining a 38.72% ell_infty-AutoAttacked (epsilon = 8/255) accuracy, becoming the second most robust method on the RobustBench CIFAR-100 benchmark as of submission, while improving the clean accuracy by ten percentage points compared with all listed models. The code that implements our method is available at https://github.com/Bai-YT/AdaptiveSmoothing.

To obtain a near-optimal policy with fewer interactions in Reinforcement Learning (RL), a promising approach involves the combination of offline RL, which enhances sample efficiency by leveraging offline datasets, and online RL, which explores informative transitions by interacting with the environment. Offline-to-Online (O2O) RL provides a paradigm for improving an offline trained agent within limited online interactions. However, due to the significant distribution shift between online experiences and offline data, most offline RL algorithms suffer from performance drops and fail to achieve stable policy improvement in O2O adaptation. To address this problem, we propose the Robust Offline-to-Online (RO2O) algorithm, designed to enhance offline policies through uncertainty and smoothness, and to mitigate the performance drop in online adaptation. Specifically, RO2O incorporates Q-ensemble for uncertainty penalty and adversarial samples for policy and value smoothness, which enable RO2O to maintain a consistent learning procedure in online adaptation without requiring special changes to the learning objective. Theoretical analyses in linear MDPs demonstrate that the uncertainty and smoothness lead to a tighter optimality bound in O2O against distribution shift. Experimental results illustrate the superiority of RO2O in facilitating stable offline-to-online learning and achieving significant improvement with limited online interactions.

A fundamental challenge for machine learning models is how to generalize learned models for out-of-distribution (OOD) data. Among various approaches, exploiting invariant features by Domain Adversarial Training (DAT) received widespread attention. Despite its success, we observe training instability from DAT, mostly due to over-confident domain discriminator and environment label noise. To address this issue, we proposed Environment Label Smoothing (ELS), which encourages the discriminator to output soft probability, which thus reduces the confidence of the discriminator and alleviates the impact of noisy environment labels. We demonstrate, both experimentally and theoretically, that ELS can improve training stability, local convergence, and robustness to noisy environment labels. By incorporating ELS with DAT methods, we are able to yield state-of-art results on a wide range of domain generalization/adaptation tasks, particularly when the environment labels are highly noisy.