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Mar 11

Stacking Your Transformers: A Closer Look at Model Growth for Efficient LLM Pre-Training

LLMs are computationally expensive to pre-train due to their large scale. Model growth emerges as a promising approach by leveraging smaller models to accelerate the training of larger ones. However, the viability of these model growth methods in efficient LLM pre-training remains underexplored. This work identifies three critical textit{O}bstacles: (O1) lack of comprehensive evaluation, (O2) untested viability for scaling, and (O3) lack of empirical guidelines. To tackle O1, we summarize existing approaches into four atomic growth operators and systematically evaluate them in a standardized LLM pre-training setting. Our findings reveal that a depthwise stacking operator, called G_{stack}, exhibits remarkable acceleration in training, leading to decreased loss and improved overall performance on eight standard NLP benchmarks compared to strong baselines. Motivated by these promising results, we conduct extensive experiments to delve deeper into G_{stack} to address O2 and O3. For O2 (untested scalability), our study shows that G_{stack} is scalable and consistently performs well, with experiments up to 7B LLMs after growth and pre-training LLMs with 750B tokens. For example, compared to a conventionally trained 7B model using 300B tokens, our G_{stack} model converges to the same loss with 194B tokens, resulting in a 54.6\% speedup. We further address O3 (lack of empirical guidelines) by formalizing guidelines to determine growth timing and growth factor for G_{stack}, making it practical in general LLM pre-training. We also provide in-depth discussions and comprehensive ablation studies of G_{stack}. Our code and pre-trained model are available at https://llm-stacking.github.io/{https://llm-stacking.github.io/}.

Streaming Diffusion Policy: Fast Policy Synthesis with Variable Noise Diffusion Models

Diffusion models have seen rapid adoption in robotic imitation learning, enabling autonomous execution of complex dexterous tasks. However, action synthesis is often slow, requiring many steps of iterative denoising, limiting the extent to which models can be used in tasks that require fast reactive policies. To sidestep this, recent works have explored how the distillation of the diffusion process can be used to accelerate policy synthesis. However, distillation is computationally expensive and can hurt both the accuracy and diversity of synthesized actions. We propose SDP (Streaming Diffusion Policy), an alternative method to accelerate policy synthesis, leveraging the insight that generating a partially denoised action trajectory is substantially faster than a full output action trajectory. At each observation, our approach outputs a partially denoised action trajectory with variable levels of noise corruption, where the immediate action to execute is noise-free, with subsequent actions having increasing levels of noise and uncertainty. The partially denoised action trajectory for a new observation can then be quickly generated by applying a few steps of denoising to the previously predicted noisy action trajectory (rolled over by one timestep). We illustrate the efficacy of this approach, dramatically speeding up policy synthesis while preserving performance across both simulated and real-world settings.

Gradient-Free Classifier Guidance for Diffusion Model Sampling

Image generation using diffusion models have demonstrated outstanding learning capabilities, effectively capturing the full distribution of the training dataset. They are known to generate wide variations in sampled images, albeit with a trade-off in image fidelity. Guided sampling methods, such as classifier guidance (CG) and classifier-free guidance (CFG), focus sampling in well-learned high-probability regions to generate images of high fidelity, but each has its limitations. CG is computationally expensive due to the use of back-propagation for classifier gradient descent, while CFG, being gradient-free, is more efficient but compromises class label alignment compared to CG. In this work, we propose an efficient guidance method that fully utilizes a pre-trained classifier without using gradient descent. By using the classifier solely in inference mode, a time-adaptive reference class label and corresponding guidance scale are determined at each time step for guided sampling. Experiments on both class-conditioned and text-to-image generation diffusion models demonstrate that the proposed Gradient-free Classifier Guidance (GFCG) method consistently improves class prediction accuracy. We also show GFCG to be complementary to other guided sampling methods like CFG. When combined with the state-of-the-art Autoguidance (ATG), without additional computational overhead, it enhances image fidelity while preserving diversity. For ImageNet 512times512, we achieve a record FD_{DINOv2} of 23.09, while simultaneously attaining a higher classification Precision (94.3%) compared to ATG (90.2%)

P2AT: Pyramid Pooling Axial Transformer for Real-time Semantic Segmentation

Recently, Transformer-based models have achieved promising results in various vision tasks, due to their ability to model long-range dependencies. However, transformers are computationally expensive, which limits their applications in real-time tasks such as autonomous driving. In addition, an efficient local and global feature selection and fusion are vital for accurate dense prediction, especially driving scene understanding tasks. In this paper, we propose a real-time semantic segmentation architecture named Pyramid Pooling Axial Transformer (P2AT). The proposed P2AT takes a coarse feature from the CNN encoder to produce scale-aware contextual features, which are then combined with the multi-level feature aggregation scheme to produce enhanced contextual features. Specifically, we introduce a pyramid pooling axial transformer to capture intricate spatial and channel dependencies, leading to improved performance on semantic segmentation. Then, we design a Bidirectional Fusion module (BiF) to combine semantic information at different levels. Meanwhile, a Global Context Enhancer is introduced to compensate for the inadequacy of concatenating different semantic levels. Finally, a decoder block is proposed to help maintain a larger receptive field. We evaluate P2AT variants on three challenging scene-understanding datasets. In particular, our P2AT variants achieve state-of-art results on the Camvid dataset 80.5%, 81.0%, 81.1% for P2AT-S, P2ATM, and P2AT-L, respectively. Furthermore, our experiment on Cityscapes and Pascal VOC 2012 have demonstrated the efficiency of the proposed architecture, with results showing that P2AT-M, achieves 78.7% on Cityscapes. The source code will be available at

KV Prediction for Improved Time to First Token

Inference with transformer-based language models begins with a prompt processing step. In this step, the model generates the first output token and stores the KV cache needed for future generation steps. This prompt processing step can be computationally expensive, taking 10s of seconds or more for billion-parameter models on edge devices when prompt lengths or batch sizes rise. This degrades user experience by introducing significant latency into the model's outputs. To reduce the time spent producing the first output (known as the ``time to first token'', or TTFT) of a pretrained model, we introduce a novel method called KV Prediction. In our method, a small auxiliary model is used to process the prompt and produce an approximation of the KV cache used by a base model. This approximated KV cache is then used with the base model for autoregressive generation without the need to query the auxiliary model again. We demonstrate that our method produces a pareto-optimal efficiency-accuracy trade-off when compared to baselines. On TriviaQA, we demonstrate relative accuracy improvements in the range of 15%-50% across a range of TTFT FLOPs budgets. We also demonstrate accuracy improvements of up to 30% on HumanEval python code completion at fixed TTFT FLOPs budgets. Additionally, we benchmark models on an Apple M2 Pro CPU and demonstrate that our improvement in FLOPs translates to a TTFT speedup on hardware. We release our code at https://github.com/apple/corenet/tree/main/projects/kv-prediction .

ReAGent: Towards A Model-agnostic Feature Attribution Method for Generative Language Models

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

Distribution Transformers: Fast Approximate Bayesian Inference With On-The-Fly Prior Adaptation

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.

Von Mises Mixture Distributions for Molecular Conformation Generation

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a wide variety of geometries or conformations. The resulting distribution on geometries p(x) is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution. Generating accurate samples from the Boltzmann distribution is therefore essential for computing these expectations accurately. Traditional sampling-based methods are computationally expensive, and most recent machine learning-based methods have focused on identifying modes in this distribution rather than generating true samples. Generating such samples requires capturing conformational variability, and it has been widely recognized that the majority of conformational variability in molecules arises from rotatable bonds. In this work, we present VonMisesNet, a new graph neural network that captures conformational variability via a variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions. We demonstrate that VonMisesNet can generate conformations for arbitrary molecules in a way that is both physically accurate with respect to the Boltzmann distribution and orders of magnitude faster than existing sampling methods.

Efficient Semantic Segmentation by Altering Resolutions for Compressed Videos

Video semantic segmentation (VSS) is a computationally expensive task due to the per-frame prediction for videos of high frame rates. In recent work, compact models or adaptive network strategies have been proposed for efficient VSS. However, they did not consider a crucial factor that affects the computational cost from the input side: the input resolution. In this paper, we propose an altering resolution framework called AR-Seg for compressed videos to achieve efficient VSS. AR-Seg aims to reduce the computational cost by using low resolution for non-keyframes. To prevent the performance degradation caused by downsampling, we design a Cross Resolution Feature Fusion (CReFF) module, and supervise it with a novel Feature Similarity Training (FST) strategy. Specifically, CReFF first makes use of motion vectors stored in a compressed video to warp features from high-resolution keyframes to low-resolution non-keyframes for better spatial alignment, and then selectively aggregates the warped features with local attention mechanism. Furthermore, the proposed FST supervises the aggregated features with high-resolution features through an explicit similarity loss and an implicit constraint from the shared decoding layer. Extensive experiments on CamVid and Cityscapes show that AR-Seg achieves state-of-the-art performance and is compatible with different segmentation backbones. On CamVid, AR-Seg saves 67% computational cost (measured in GFLOPs) with the PSPNet18 backbone while maintaining high segmentation accuracy. Code: https://github.com/THU-LYJ-Lab/AR-Seg.

Attention as an RNN

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time, limiting their applications, particularly in low-resource settings (e.g., mobile and embedded devices). Addressing this, we (1) begin by showing that attention can be viewed as a special Recurrent Neural Network (RNN) with the ability to compute its many-to-one RNN output efficiently. We then (2) show that popular attention-based models such as Transformers can be viewed as RNN variants. However, unlike traditional RNNs (e.g., LSTMs), these models cannot be updated efficiently with new tokens, an important property in sequence modelling. Tackling this, we (3) introduce a new efficient method of computing attention's many-to-many RNN output based on the parallel prefix scan algorithm. Building on the new attention formulation, we (4) introduce Aaren, an attention-based module that can not only (i) be trained in parallel (like Transformers) but also (ii) be updated efficiently with new tokens, requiring only constant memory for inferences (like traditional RNNs). Empirically, we show Aarens achieve comparable performance to Transformers on 38 datasets spread across four popular sequential problem settings: reinforcement learning, event forecasting, time series classification, and time series forecasting tasks while being more time and memory-efficient.

Adaptive Inference-Time Compute: LLMs Can Predict if They Can Do Better, Even Mid-Generation

Inference-time computation is a powerful paradigm to enhance the performance of large language models (LLMs), with Best-of-N sampling being a widely used technique. However, this method is computationally expensive, requiring both (1) an external reward model and (2) the generation of multiple samples. In this work, we introduce a new generative self-evaluation scheme designed to adaptively reduce the number of generated samples while maintaining or even improving performance. We use a generative reward model formulation, allowing the LLM to predict mid-generation the probability that restarting the generation will yield a better response. These predictions are obtained without an external reward model and can be used to decide whether or not to generate more samples, prune unpromising samples early on, or to pick the best sample. This capability is very inexpensive as it involves generating a single predefined token. Trained using a dataset constructed with real unfiltered LMSYS user prompts, Llama 3.1 8B's win rate against GPT-4 on AlpacaEval increases from 21% to 34% with 16 samples and math performance on GSM8K improves from 84% to 91%. By sampling only when the LLM determines that it is beneficial to do so and adaptively adjusting temperature annealing, we demonstrate that 74% of the improvement from using 16 samples can be achieved with only 1.2 samples on average. We further demonstrate that 50-75% of samples can be pruned early in generation with minimal degradation in performance. Overall, our methods enable more efficient and scalable compute utilization during inference for LLMs.

Breaking the Low-Rank Dilemma of Linear Attention

The Softmax attention mechanism in Transformer models is notoriously computationally expensive, particularly due to its quadratic complexity, posing significant challenges in vision applications. In contrast, linear attention provides a far more efficient solution by reducing the complexity to linear levels. However, compared to Softmax attention, linear attention often experiences significant performance degradation. Our experiments indicate that this performance drop is due to the low-rank nature of linear attention's feature map, which hinders its ability to adequately model complex spatial information. In this paper, to break the low-rank dilemma of linear attention, we conduct rank analysis from two perspectives: the KV buffer and the output features. Consequently, we introduce Rank-Augmented Linear Attention (RALA), which rivals the performance of Softmax attention while maintaining linear complexity and high efficiency. Based on RALA, we construct the Rank-Augmented Vision Linear Transformer (RAVLT). Extensive experiments demonstrate that RAVLT achieves excellent performance across various vision tasks. Specifically, without using any additional labels, data, or supervision during training, RAVLT achieves an 84.4% Top-1 accuracy on ImageNet-1k with only 26M parameters and 4.6G FLOPs. This result significantly surpasses previous linear attention mechanisms, fully illustrating the potential of RALA. Code will be available at https://github.com/qhfan/RALA.

On-Device Language Models: A Comprehensive Review

The advent of large language models (LLMs) revolutionized natural language processing applications, and running LLMs on edge devices has become increasingly attractive for reasons including reduced latency, data localization, and personalized user experiences. This comprehensive review examines the challenges of deploying computationally expensive LLMs on resource-constrained devices and explores innovative solutions across multiple domains. The paper investigates the development of on-device language models, their efficient architectures, including parameter sharing and modular designs, as well as state-of-the-art compression techniques like quantization, pruning, and knowledge distillation. Hardware acceleration strategies and collaborative edge-cloud deployment approaches are analyzed, highlighting the intricate balance between performance and resource utilization. Case studies of on-device language models from major mobile manufacturers demonstrate real-world applications and potential benefits. The review also addresses critical aspects such as adaptive learning, multi-modal capabilities, and personalization. By identifying key research directions and open challenges, this paper provides a roadmap for future advancements in on-device language models, emphasizing the need for interdisciplinary efforts to realize the full potential of ubiquitous, intelligent computing while ensuring responsible and ethical deployment. For a comprehensive review of research work and educational resources on on-device large language models (LLMs), please visit https://github.com/NexaAI/Awesome-LLMs-on-device. To download and run on-device LLMs, visit https://www.nexaai.com/models.

Let the Code LLM Edit Itself When You Edit the Code

In this work, we investigate a typical scenario in code generation where a developer edits existing code in real time and requests a code assistant, e.g., a large language model, to re-predict the next token or next line on the fly. Naively, the LLM needs to re-encode the entire KV cache to provide an accurate prediction. However, this process is computationally expensive, especially when the sequence length is long. Simply encoding the edited subsequence and integrating it to the original KV cache meets the temporal confusion problem, leading to significantly worse performance. We address this efficiency and accuracy trade-off by introducing \textbf{Positional \textbf{Integrity Encoding} (PIE). Building upon the rotary positional encoding, PIE first removes the rotary matrices in the Key cache that introduce temporal confusion and then reapplies the correct rotary matrices. This process ensures that positional relationships between tokens are correct and requires only a single round of matrix multiplication. We validate the effectiveness of PIE through extensive experiments on the RepoBench-C-8k dataset, utilizing DeepSeek-Coder models with 1.3B, 6.7B, and 33B parameters. Our evaluation includes three real-world coding tasks: code insertion, code deletion, and multi-place code editing. Results demonstrate that PIE reduces computational overhead by over 85% compared to the standard full recomputation approach across all model sizes and tasks while well approximating the model performance.

Gradual Optimization Learning for Conformational Energy Minimization

Molecular conformation optimization is crucial to computer-aided drug discovery and materials design. Traditional energy minimization techniques rely on iterative optimization methods that use molecular forces calculated by a physical simulator (oracle) as anti-gradients. However, this is a computationally expensive approach that requires many interactions with a physical simulator. One way to accelerate this procedure is to replace the physical simulator with a neural network. Despite recent progress in neural networks for molecular conformation energy prediction, such models are prone to distribution shift, leading to inaccurate energy minimization. We find that the quality of energy minimization with neural networks can be improved by providing optimization trajectories as additional training data. Still, it takes around 5 times 10^5 additional conformations to match the physical simulator's optimization quality. In this work, we present the Gradual Optimization Learning Framework (GOLF) for energy minimization with neural networks that significantly reduces the required additional data. The framework consists of an efficient data-collecting scheme and an external optimizer. The external optimizer utilizes gradients from the energy prediction model to generate optimization trajectories, and the data-collecting scheme selects additional training data to be processed by the physical simulator. Our results demonstrate that the neural network trained with GOLF performs on par with the oracle on a benchmark of diverse drug-like molecules using 50x less additional data.

DC-Solver: Improving Predictor-Corrector Diffusion Sampler via Dynamic Compensation

Diffusion probabilistic models (DPMs) have shown remarkable performance in visual synthesis but are computationally expensive due to the need for multiple evaluations during the sampling. Recent predictor-corrector diffusion samplers have significantly reduced the required number of function evaluations (NFE), but inherently suffer from a misalignment issue caused by the extra corrector step, especially with a large classifier-free guidance scale (CFG). In this paper, we introduce a new fast DPM sampler called DC-Solver, which leverages dynamic compensation (DC) to mitigate the misalignment of the predictor-corrector samplers. The dynamic compensation is controlled by compensation ratios that are adaptive to the sampling steps and can be optimized on only 10 datapoints by pushing the sampling trajectory toward a ground truth trajectory. We further propose a cascade polynomial regression (CPR) which can instantly predict the compensation ratios on unseen sampling configurations. Additionally, we find that the proposed dynamic compensation can also serve as a plug-and-play module to boost the performance of predictor-only samplers. Extensive experiments on both unconditional sampling and conditional sampling demonstrate that our DC-Solver can consistently improve the sampling quality over previous methods on different DPMs with a wide range of resolutions up to 1024times1024. Notably, we achieve 10.38 FID (NFE=5) on unconditional FFHQ and 0.394 MSE (NFE=5, CFG=7.5) on Stable-Diffusion-2.1. Code is available at https://github.com/wl-zhao/DC-Solver

Zero-TPrune: Zero-Shot Token Pruning through Leveraging of the Attention Graph in Pre-Trained Transformers

Deployment of Transformer models on edge devices is becoming increasingly challenging due to the exponentially growing inference cost that scales quadratically with the number of tokens in the input sequence. Token pruning is an emerging solution to address this challenge due to its ease of deployment on various Transformer backbones. However, most token pruning methods require computationally expensive fine-tuning, which is undesirable in many edge deployment cases. In this work, we propose Zero-TPrune, the first zero-shot method that considers both the importance and similarity of tokens in performing token pruning. It leverages the attention graph of pre-trained Transformer models to produce an importance distribution for tokens via our proposed Weighted Page Rank (WPR) algorithm. This distribution further guides token partitioning for efficient similarity-based pruning. Due to the elimination of the fine-tuning overhead, Zero-TPrune can prune large models at negligible computational cost, switch between different pruning configurations at no computational cost, and perform hyperparameter tuning efficiently. We evaluate the performance of Zero-TPrune on vision tasks by applying it to various vision Transformer backbones and testing them on ImageNet. Without any fine-tuning, Zero-TPrune reduces the FLOPs cost of DeiT-S by 34.7\% and improves its throughput by 45.3\% with only 0.4\% accuracy loss. Compared with state-of-the-art pruning methods that require fine-tuning, Zero-TPrune not only eliminates the need for fine-tuning after pruning but also does so with only 0.1\% accuracy loss. Compared with state-of-the-art fine-tuning-free pruning methods, Zero-TPrune reduces accuracy loss by up to 49\% with the same or higher throughput.

Cheaply Evaluating Inference Efficiency Metrics for Autoregressive Transformer APIs

Large language models (LLMs) power many state-of-the-art systems in natural language processing. However, these models are extremely computationally expensive, even at inference time, raising the natural question: when is the extra cost of deploying a larger model worth the anticipated boost in capabilities? Better understanding this tradeoff fundamentally could benefit from an inference efficiency metric that is both (i) easily comparable across models from different providers, and (ii) representative of the true cost of running queries in an isolated performance environment. Unfortunately, access to LLMs today is largely restricted to black-box text generation APIs and raw runtimes measured through this interface do not satisfy these desiderata: model providers can apply various software and hardware optimizations orthogonal to the model, and models served on shared infrastructure are susceptible to performance contention. To circumvent these problems, we propose a new metric for comparing inference efficiency across models. This metric puts models on equal footing as though they were served (i) on uniform hardware and software, and (ii) without performance contention. We call this metric the idealized runtime, and we propose a methodology to efficiently estimate this metric for autoregressive Transformer models. We also propose cost-aware variants that incorporate the number of accelerators needed to serve the model. Using these metrics, we compare ten state-of-the-art LLMs to provide the first analysis of inference efficiency-capability tradeoffs; we make several observations from this analysis, including the fact that the superior inference runtime performance of certain APIs is often a byproduct of optimizations within the API rather than the underlying model. Our methodology also facilitates the efficient comparison of different software and hardware stacks.

A Retrieve-and-Read Framework for Knowledge Graph Link Prediction

Knowledge graph (KG) link prediction aims to infer new facts based on existing facts in the KG. Recent studies have shown that using the graph neighborhood of a node via graph neural networks (GNNs) provides more useful information compared to just using the query information. Conventional GNNs for KG link prediction follow the standard message-passing paradigm on the entire KG, which leads to superfluous computation, over-smoothing of node representations, and also limits their expressive power. On a large scale, it becomes computationally expensive to aggregate useful information from the entire KG for inference. To address the limitations of existing KG link prediction frameworks, we propose a novel retrieve-and-read framework, which first retrieves a relevant subgraph context for the query and then jointly reasons over the context and the query with a high-capacity reader. As part of our exemplar instantiation for the new framework, we propose a novel Transformer-based GNN as the reader, which incorporates graph-based attention structure and cross-attention between query and context for deep fusion. This simple yet effective design enables the model to focus on salient context information relevant to the query. Empirical results on two standard KG link prediction datasets demonstrate the competitive performance of the proposed method. Furthermore, our analysis yields valuable insights for designing improved retrievers within the framework.

Learning Geometrically Disentangled Representations of Protein Folding Simulations

Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target protein, e.g. SARS-CoV-2 Spike protein, obtained from computationally expensive molecular simulations. Model tasks involve characterizing the distinct structural fluctuations of the protein bound to various drug molecules, as well as efficient generation of protein conformations that can serve as an complement of a molecular simulation engine. Specifically, we present a geometric autoencoder framework to learn separate latent space encodings of the intrinsic and extrinsic geometries of the protein structure. For this purpose, the proposed Protein Geometric AutoEncoder (ProGAE) model is trained on the protein contact map and the orientation of the backbone bonds of the protein. Using ProGAE latent embeddings, we reconstruct and generate the conformational ensemble of a protein at or near the experimental resolution, while gaining better interpretability and controllability in term of protein structure generation from the learned latent space. Additionally, ProGAE models are transferable to a different state of the same protein or to a new protein of different size, where only the dense layer decoding from the latent representation needs to be retrained. Results show that our geometric learning-based method enjoys both accuracy and efficiency for generating complex structural variations, charting the path toward scalable and improved approaches for analyzing and enhancing high-cost simulations of drug-target proteins.

Mathematical modelling of flow and adsorption in a gas chromatograph

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

RIGID: A Training-free and Model-Agnostic Framework for Robust AI-Generated Image Detection

The rapid advances in generative AI models have empowered the creation of highly realistic images with arbitrary content, raising concerns about potential misuse and harm, such as Deepfakes. Current research focuses on training detectors using large datasets of generated images. However, these training-based solutions are often computationally expensive and show limited generalization to unseen generated images. In this paper, we propose a training-free method to distinguish between real and AI-generated images. We first observe that real images are more robust to tiny noise perturbations than AI-generated images in the representation space of vision foundation models. Based on this observation, we propose RIGID, a training-free and model-agnostic method for robust AI-generated image detection. RIGID is a simple yet effective approach that identifies whether an image is AI-generated by comparing the representation similarity between the original and the noise-perturbed counterpart. Our evaluation on a diverse set of AI-generated images and benchmarks shows that RIGID significantly outperforms existing trainingbased and training-free detectors. In particular, the average performance of RIGID exceeds the current best training-free method by more than 25%. Importantly, RIGID exhibits strong generalization across different image generation methods and robustness to image corruptions.

MUVERA: Multi-Vector Retrieval via Fixed Dimensional Encodings

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

NSF: Neural Surface Fields for Human Modeling from Monocular Depth

Obtaining personalized 3D animatable avatars from a monocular camera has several real world applications in gaming, virtual try-on, animation, and VR/XR, etc. However, it is very challenging to model dynamic and fine-grained clothing deformations from such sparse data. Existing methods for modeling 3D humans from depth data have limitations in terms of computational efficiency, mesh coherency, and flexibility in resolution and topology. For instance, reconstructing shapes using implicit functions and extracting explicit meshes per frame is computationally expensive and cannot ensure coherent meshes across frames. Moreover, predicting per-vertex deformations on a pre-designed human template with a discrete surface lacks flexibility in resolution and topology. To overcome these limitations, we propose a novel method `\keyfeature: Neural Surface Fields' for modeling 3D clothed humans from monocular depth. NSF defines a neural field solely on the base surface which models a continuous and flexible displacement field. NSF can be adapted to the base surface with different resolution and topology without retraining at inference time. Compared to existing approaches, our method eliminates the expensive per-frame surface extraction while maintaining mesh coherency, and is capable of reconstructing meshes with arbitrary resolution without retraining. To foster research in this direction, we release our code in project page at: https://yuxuan-xue.com/nsf.

Window-Based Early-Exit Cascades for Uncertainty Estimation: When Deep Ensembles are More Efficient than Single Models

Deep Ensembles are a simple, reliable, and effective method of improving both the predictive performance and uncertainty estimates of deep learning approaches. However, they are widely criticised as being computationally expensive, due to the need to deploy multiple independent models. Recent work has challenged this view, showing that for predictive accuracy, ensembles can be more computationally efficient (at inference) than scaling single models within an architecture family. This is achieved by cascading ensemble members via an early-exit approach. In this work, we investigate extending these efficiency gains to tasks related to uncertainty estimation. As many such tasks, e.g. selective classification, are binary classification, our key novel insight is to only pass samples within a window close to the binary decision boundary to later cascade stages. Experiments on ImageNet-scale data across a number of network architectures and uncertainty tasks show that the proposed window-based early-exit approach is able to achieve a superior uncertainty-computation trade-off compared to scaling single models. For example, a cascaded EfficientNet-B2 ensemble is able to achieve similar coverage at 5% risk as a single EfficientNet-B4 with <30% the number of MACs. We also find that cascades/ensembles give more reliable improvements on OOD data vs scaling models up. Code for this work is available at: https://github.com/Guoxoug/window-early-exit.

Google's Neural Machine Translation System: Bridging the Gap between Human and Machine Translation

Neural Machine Translation (NMT) is an end-to-end learning approach for automated translation, with the potential to overcome many of the weaknesses of conventional phrase-based translation systems. Unfortunately, NMT systems are known to be computationally expensive both in training and in translation inference. Also, most NMT systems have difficulty with rare words. These issues have hindered NMT's use in practical deployments and services, where both accuracy and speed are essential. In this work, we present GNMT, Google's Neural Machine Translation system, which attempts to address many of these issues. Our model consists of a deep LSTM network with 8 encoder and 8 decoder layers using attention and residual connections. To improve parallelism and therefore decrease training time, our attention mechanism connects the bottom layer of the decoder to the top layer of the encoder. To accelerate the final translation speed, we employ low-precision arithmetic during inference computations. To improve handling of rare words, we divide words into a limited set of common sub-word units ("wordpieces") for both input and output. This method provides a good balance between the flexibility of "character"-delimited models and the efficiency of "word"-delimited models, naturally handles translation of rare words, and ultimately improves the overall accuracy of the system. Our beam search technique employs a length-normalization procedure and uses a coverage penalty, which encourages generation of an output sentence that is most likely to cover all the words in the source sentence. On the WMT'14 English-to-French and English-to-German benchmarks, GNMT achieves competitive results to state-of-the-art. Using a human side-by-side evaluation on a set of isolated simple sentences, it reduces translation errors by an average of 60% compared to Google's phrase-based production system.

LongLoRA: Efficient Fine-tuning of Long-Context Large Language Models

We present LongLoRA, an efficient fine-tuning approach that extends the context sizes of pre-trained large language models (LLMs), with limited computation cost. Typically, training LLMs with long context sizes is computationally expensive, requiring extensive training hours and GPU resources. For example, training on the context length of 8192 needs 16x computational costs in self-attention layers as that of 2048. In this paper, we speed up the context extension of LLMs in two aspects. On the one hand, although dense global attention is needed during inference, fine-tuning the model can be effectively and efficiently done by sparse local attention. The proposed shift short attention effectively enables context extension, leading to non-trivial computation saving with similar performance to fine-tuning with vanilla attention. Particularly, it can be implemented with only two lines of code in training, while being optional in inference. On the other hand, we revisit the parameter-efficient fine-tuning regime for context expansion. Notably, we find that LoRA for context extension works well under the premise of trainable embedding and normalization. LongLoRA demonstrates strong empirical results on various tasks on LLaMA2 models from 7B/13B to 70B. LongLoRA adopts LLaMA2 7B from 4k context to 100k, or LLaMA2 70B to 32k on a single 8x A100 machine. LongLoRA extends models' context while retaining their original architectures, and is compatible with most existing techniques, like FlashAttention-2. In addition, to make LongLoRA practical, we collect a dataset, LongQA, for supervised fine-tuning. It contains more than 3k long context question-answer pairs.

E^2-LLM: Efficient and Extreme Length Extension of Large Language Models

Typically, training LLMs with long context sizes is computationally expensive, requiring extensive training hours and GPU resources. Existing long-context extension methods usually need additional training procedures to support corresponding long-context windows, where the long-context training data (e.g., 32k) is needed, and high GPU training costs are assumed. To address the aforementioned issues, we propose an Efficient and Extreme length extension method for Large Language Models, called E 2 -LLM, with only one training procedure and dramatically reduced computation cost, which also removes the need to collect long-context data. Concretely, first, the training data of our E 2 -LLM only requires a short length (e.g., 4k), which reduces the tuning cost greatly. Second, the training procedure on the short training context window is performed only once time, and we can support different evaluation context windows at inference. Third, in E 2 - LLM, based on RoPE position embeddings, we introduce two different augmentation methods on the scale and position index parameters for different samples in training. It aims to make the model more robust to the different relative differences when directly interpolating the arbitrary context length at inference. Comprehensive experimental results on multiple benchmark datasets demonstrate the effectiveness of our E 2 -LLM on challenging long-context tasks.

FFN-SkipLLM: A Hidden Gem for Autoregressive Decoding with Adaptive Feed Forward Skipping

Autoregressive Large Language Models (e.g., LLaMa, GPTs) are omnipresent achieving remarkable success in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges for autoregressive token-by-token generation. To mitigate computation overload incurred during generation, several early-exit and layer-dropping strategies have been proposed. Despite some promising success due to the redundancy across LLMs layers on metrics like Rough-L/BLUE, our careful knowledge-intensive evaluation unveils issues such as generation collapse, hallucination of wrong facts, and noticeable performance drop even at the trivial exit ratio of 10-15% of layers. We attribute these errors primarily to ineffective handling of the KV cache through state copying during early-exit. In this work, we observed the saturation of computationally expensive feed-forward blocks of LLM layers and proposed FFN-SkipLLM, which is a novel fine-grained skip strategy of autoregressive LLMs. More specifically, FFN-SkipLLM is an input-adaptive feed-forward skipping strategy that can skip 25-30% of FFN blocks of LLMs with marginal change in performance on knowledge-intensive generation tasks without any requirement to handle KV cache. Our extensive experiments and ablation across benchmarks like MT-Bench, Factoid-QA, and variable-length text summarization illustrate how our simple and ease-at-use method can facilitate faster autoregressive decoding.

A* Search Without Expansions: Learning Heuristic Functions with Deep Q-Networks

Efficiently solving problems with large action spaces using A* search has been of importance to the artificial intelligence community for decades. This is because the computation and memory requirements of A* search grow linearly with the size of the action space. This burden becomes even more apparent when A* search uses a heuristic function learned by computationally expensive function approximators, such as deep neural networks. To address this problem, we introduce Q* search, a search algorithm that uses deep Q-networks to guide search in order to take advantage of the fact that the sum of the transition costs and heuristic values of the children of a node can be computed with a single forward pass through a deep Q-network without explicitly generating those children. This significantly reduces computation time and requires only one node to be generated per iteration. We use Q* search to solve the Rubik's cube when formulated with a large action space that includes 1872 meta-actions and find that this 157-fold increase in the size of the action space incurs less than a 4-fold increase in computation time and less than a 3-fold increase in number of nodes generated when performing Q* search. Furthermore, Q* search is up to 129 times faster and generates up to 1288 times fewer nodes than A* search. Finally, although obtaining admissible heuristic functions from deep neural networks is an ongoing area of research, we prove that Q* search is guaranteed to find a shortest path given a heuristic function that neither overestimates the cost of a shortest path nor underestimates the transition cost.

NiNformer: A Network in Network Transformer with Token Mixing Generated Gating Function

The Attention mechanism is the main component of the Transformer architecture, and since its introduction, it has led to significant advancements in Deep Learning that span many domains and multiple tasks. The Attention Mechanism was utilized in Computer Vision as the Vision Transformer ViT, and its usage has expanded into many tasks in the vision domain, such as classification, segmentation, object detection, and image generation. While this mechanism is very expressive and capable, it comes with the drawback of being computationally expensive and requiring datasets of considerable size for effective optimization. To address these shortcomings, many designs have been proposed in the literature to reduce the computational burden and alleviate the data size requirements. Examples of such attempts in the vision domain are the MLP-Mixer, the Conv-Mixer, the Perciver-IO, and many more. This paper introduces a new computational block as an alternative to the standard ViT block that reduces the compute burdens by replacing the normal Attention layers with a Network in Network structure that enhances the static approach of the MLP Mixer with a dynamic system of learning an element-wise gating function by a token mixing process. Extensive experimentation shows that the proposed design provides better performance than the baseline architectures on multiple datasets applied in the image classification task of the vision domain.

Observable Propagation: A Data-Efficient Approach to Uncover Feature Vectors in Transformers

A key goal of current mechanistic interpretability research in NLP is to find linear features (also called "feature vectors") for transformers: directions in activation space corresponding to concepts that are used by a given model in its computation. Present state-of-the-art methods for finding linear features require large amounts of labelled data -- both laborious to acquire and computationally expensive to utilize. In this work, we introduce a novel method, called "observable propagation" (in short: ObsProp), for finding linear features used by transformer language models in computing a given task -- using almost no data. Our paradigm centers on the concept of observables, linear functionals corresponding to given tasks. We then introduce a mathematical theory for the analysis of feature vectors: we provide theoretical motivation for why LayerNorm nonlinearities do not affect the direction of feature vectors; we also introduce a similarity metric between feature vectors called the coupling coefficient which estimates the degree to which one feature's output correlates with another's. We use ObsProp to perform extensive qualitative investigations into several tasks, including gendered occupational bias, political party prediction, and programming language detection. Our results suggest that ObsProp surpasses traditional approaches for finding feature vectors in the low-data regime, and that ObsProp can be used to better understand the mechanisms responsible for bias in large language models. Code for experiments can be found at github.com/jacobdunefsky/ObservablePropagation.

MixtureGrowth: Growing Neural Networks by Recombining Learned Parameters

Most deep neural networks are trained under fixed network architectures and require retraining when the architecture changes. If expanding the network's size is needed, it is necessary to retrain from scratch, which is expensive. To avoid this, one can grow from a small network by adding random weights over time to gradually achieve the target network size. However, this naive approach falls short in practice as it brings too much noise to the growing process. Prior work tackled this issue by leveraging the already learned weights and training data for generating new weights through conducting a computationally expensive analysis step. In this paper, we introduce MixtureGrowth, a new approach to growing networks that circumvents the initialization overhead in prior work. Before growing, each layer in our model is generated with a linear combination of parameter templates. Newly grown layer weights are generated by using a new linear combination of existing templates for a layer. On one hand, these templates are already trained for the task, providing a strong initialization. On the other, the new coefficients provide flexibility for the added layer weights to learn something new. We show that our approach boosts top-1 accuracy over the state-of-the-art by 2-2.5% on CIFAR-100 and ImageNet datasets, while achieving comparable performance with fewer FLOPs to a larger network trained from scratch. Code is available at https://github.com/chaudatascience/mixturegrowth.

Maestro: Uncovering Low-Rank Structures via Trainable Decomposition

Deep Neural Networks (DNNs) have been a large driver and enabler for AI breakthroughs in recent years. These models have been getting larger in their attempt to become more accurate and tackle new upcoming use-cases, including AR/VR and intelligent assistants. However, the training process of such large models is a costly and time-consuming process, which typically yields a single model to fit all targets. To mitigate this, various techniques have been proposed in the literature, including pruning, sparsification or quantization of the model weights and updates. While able to achieve high compression rates, they often incur computational overheads or accuracy penalties. Alternatively, factorization methods have been leveraged to incorporate low-rank compression in the training process. Similarly, such techniques (e.g.,~SVD) frequently rely on the computationally expensive decomposition of layers and are potentially sub-optimal for non-linear models, such as DNNs. In this work, we take a further step in designing efficient low-rank models and propose Maestro, a framework for trainable low-rank layers. Instead of regularly applying a priori decompositions such as SVD, the low-rank structure is built into the training process through a generalized variant of Ordered Dropout. This method imposes an importance ordering via sampling on the decomposed DNN structure. Our theoretical analysis demonstrates that our method recovers the SVD decomposition of linear mapping on uniformly distributed data and PCA for linear autoencoders. We further apply our technique on DNNs and empirically illustrate that Maestro enables the extraction of lower footprint models that preserve model performance while allowing for graceful accuracy-latency tradeoff for the deployment to devices of different capabilities.

Taming Feed-forward Reconstruction Models as Latent Encoders for 3D Generative Models

Recent AI-based 3D content creation has largely evolved along two paths: feed-forward image-to-3D reconstruction approaches and 3D generative models trained with 2D or 3D supervision. In this work, we show that existing feed-forward reconstruction methods can serve as effective latent encoders for training 3D generative models, thereby bridging these two paradigms. By reusing powerful pre-trained reconstruction models, we avoid computationally expensive encoder network training and obtain rich 3D latent features for generative modeling for free. However, the latent spaces of reconstruction models are not well-suited for generative modeling due to their unstructured nature. To enable flow-based model training on these latent features, we develop post-processing pipelines, including protocols to standardize the features and spatial weighting to concentrate on important regions. We further incorporate a 2D image space perceptual rendering loss to handle the high-dimensional latent spaces. Finally, we propose a multi-stream transformer-based rectified flow architecture to achieve linear scaling and high-quality text-conditioned 3D generation. Our framework leverages the advancements of feed-forward reconstruction models to enhance the scalability of 3D generative modeling, achieving both high computational efficiency and state-of-the-art performance in text-to-3D generation.

TransformLLM: Adapting Large Language Models via LLM-Transformed Reading Comprehension Text

Large Language Models (LLMs) have shown promise in highly-specialized domains, however challenges are still present in aspects of accuracy and costs. These limitations restrict the usage of existing models in domain-specific tasks. While fine-tuning pre-trained models have shown promising results, this process can be computationally expensive and require massive datasets of the specialized application in hand. In this work, we bridge that gap. We have developed Phi-2-Legal and Mistral-Legal-7B, which are language models specifically designed for legal applications. These models are based on Phi-2 and Mistral-7B-v0.1, and have gone through continued pre-training with over 500 million tokens of legal texts. Our innovative approach significantly improves capabilities in legal tasks by using Large Language Models (LLMs) to convert raw training data into reading comprehension text. Our legal LLMs have demonstrated superior performance in legal benchmarks, even outperforming models trained on much larger datasets with more resources. This work emphasizes the effectiveness of continued pre-training on domain-specific texts, while using affordable LLMs for data conversion, which gives these models domain expertise while retaining general language understanding capabilities. While this work uses the legal domain as a test case, our method can be scaled and applied to any pre-training dataset, resulting in significant improvements across different tasks. These findings underscore the potential of domain-adaptive pre-training and reading comprehension for the development of highly effective domain-specific language models.

Divide, Conquer and Combine: A Training-Free Framework for High-Resolution Image Perception in Multimodal Large Language Models

Multimodal large language models (MLLMs) have experienced significant advancements recently, but still struggle to recognize and interpret intricate details in high-resolution (HR) images effectively. While state-of-the-art (SOTA) MLLMs claim to process images at 4K resolution, existing MLLM benchmarks only support up to 2K, leaving the capabilities of SOTA models on true HR images largely untested. Furthermore, existing methods for enhancing HR image perception in MLLMs rely on computationally expensive visual instruction tuning. To address these limitations, we introduce HR-Bench, the first deliberately designed benchmark to rigorously evaluate MLLM performance on 4K&8K images. Through extensive experiments, we demonstrate that while downsampling HR images leads to vision information loss, leveraging complementary modalities, e.g., text, can effectively compensate for this loss. Building upon this insight, we propose Divide, Conquer and Combine (DC^2), a novel training-free framework for enhancing MLLM perception of HR images. DC^2 follows a three-staged approach: 1) Divide: recursively partitioning the HR image into patches and merging similar patches to minimize computational overhead, 2) Conquer: leveraging the MLLM to generate accurate textual descriptions for each image patch, and 3) Combine: utilizing the generated text descriptions to enhance the MLLM's understanding of the overall HR image. Extensive experiments show that: 1) the SOTA MLLM achieves 63% accuracy, which is markedly lower than the 87% accuracy achieved by humans on HR-Bench; 2) our DC^2 brings consistent and significant improvements (a relative increase of +6% on HR-Bench and +8% on general multimodal benchmarks). The benchmark and code will be released to facilitate the multimodal R&D community.

The Need for Speed: Pruning Transformers with One Recipe

We introduce the One-shot Pruning Technique for Interchangeable Networks (OPTIN) framework as a tool to increase the efficiency of pre-trained transformer architectures without requiring re-training. Recent works have explored improving transformer efficiency, however often incur computationally expensive re-training procedures or depend on architecture-specific characteristics, thus impeding practical wide-scale adoption. To address these shortcomings, the OPTIN framework leverages intermediate feature distillation, capturing the long-range dependencies of model parameters (coined trajectory), to produce state-of-the-art results on natural language, image classification, transfer learning, and semantic segmentation tasks without re-training. Given a FLOP constraint, the OPTIN framework will compress the network while maintaining competitive accuracy performance and improved throughput. Particularly, we show a leq 2% accuracy degradation from NLP baselines and a 0.5% improvement from state-of-the-art methods on image classification at competitive FLOPs reductions. We further demonstrate the generalization of tasks and architecture with comparative performance using Mask2Former for semantic segmentation and cnn-style networks. OPTIN presents one of the first one-shot efficient frameworks for compressing transformer architectures that generalizes well across different class domains, in particular: natural language and image-related tasks, without re-training.

Order-Preserving GFlowNets

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

SkeletonMAE: Graph-based Masked Autoencoder for Skeleton Sequence Pre-training

Skeleton sequence representation learning has shown great advantages for action recognition due to its promising ability to model human joints and topology. However, the current methods usually require sufficient labeled data for training computationally expensive models, which is labor-intensive and time-consuming. Moreover, these methods ignore how to utilize the fine-grained dependencies among different skeleton joints to pre-train an efficient skeleton sequence learning model that can generalize well across different datasets. In this paper, we propose an efficient skeleton sequence learning framework, named Skeleton Sequence Learning (SSL). To comprehensively capture the human pose and obtain discriminative skeleton sequence representation, we build an asymmetric graph-based encoder-decoder pre-training architecture named SkeletonMAE, which embeds skeleton joint sequence into Graph Convolutional Network (GCN) and reconstructs the masked skeleton joints and edges based on the prior human topology knowledge. Then, the pre-trained SkeletonMAE encoder is integrated with the Spatial-Temporal Representation Learning (STRL) module to build the SSL framework. Extensive experimental results show that our SSL generalizes well across different datasets and outperforms the state-of-the-art self-supervised skeleton-based action recognition methods on FineGym, Diving48, NTU 60 and NTU 120 datasets. Additionally, we obtain comparable performance to some fully supervised methods. The code is avaliable at https://github.com/HongYan1123/SkeletonMAE.

Crystal Structure Generation with Autoregressive Large Language Modeling

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. Quickly generating and predicting inorganic crystal structures is important for the discovery of new materials, which can target applications such as energy or electronic devices. However, most current methods for crystal structure prediction are computationally expensive, slowing the pace of innovation. Seeding structure prediction algorithms with quality generated candidates can overcome a major bottleneck. Here, we introduce CrystaLLM, a methodology for the versatile generation of crystal structures, based on the autoregressive large language modeling (LLM) of the Crystallographic Information File (CIF) format. Trained on millions of CIF files, CrystaLLM focuses on modeling crystal structures through text. CrystaLLM can produce plausible crystal structures for a wide range of inorganic compounds unseen in training, as demonstrated by ab initio simulations. The integration with predictors of formation energy permits the use of a Monte Carlo Tree Search algorithm to improve the generation of meaningful structures. Our approach challenges conventional representations of crystals, and demonstrates the potential of LLMs for learning effective 'world models' of crystal chemistry, which will lead to accelerated discovery and innovation in materials science.

Performance Scaling via Optimal Transport: Enabling Data Selection from Partially Revealed Sources

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

Bioformer: an efficient transformer language model for biomedical text mining

Pretrained language models such as Bidirectional Encoder Representations from Transformers (BERT) have achieved state-of-the-art performance in natural language processing (NLP) tasks. Recently, BERT has been adapted to the biomedical domain. Despite the effectiveness, these models have hundreds of millions of parameters and are computationally expensive when applied to large-scale NLP applications. We hypothesized that the number of parameters of the original BERT can be dramatically reduced with minor impact on performance. In this study, we present Bioformer, a compact BERT model for biomedical text mining. We pretrained two Bioformer models (named Bioformer8L and Bioformer16L) which reduced the model size by 60% compared to BERTBase. Bioformer uses a biomedical vocabulary and was pre-trained from scratch on PubMed abstracts and PubMed Central full-text articles. We thoroughly evaluated the performance of Bioformer as well as existing biomedical BERT models including BioBERT and PubMedBERT on 15 benchmark datasets of four different biomedical NLP tasks: named entity recognition, relation extraction, question answering and document classification. The results show that with 60% fewer parameters, Bioformer16L is only 0.1% less accurate than PubMedBERT while Bioformer8L is 0.9% less accurate than PubMedBERT. Both Bioformer16L and Bioformer8L outperformed BioBERTBase-v1.1. In addition, Bioformer16L and Bioformer8L are 2-3 fold as fast as PubMedBERT/BioBERTBase-v1.1. Bioformer has been successfully deployed to PubTator Central providing gene annotations over 35 million PubMed abstracts and 5 million PubMed Central full-text articles. We make Bioformer publicly available via https://github.com/WGLab/bioformer, including pre-trained models, datasets, and instructions for downstream use.

On Distillation of Guided Diffusion Models

Classifier-free guided diffusion models have recently been shown to be highly effective at high-resolution image generation, and they have been widely used in large-scale diffusion frameworks including DALLE-2, Stable Diffusion and Imagen. However, a downside of classifier-free guided diffusion models is that they are computationally expensive at inference time since they require evaluating two diffusion models, a class-conditional model and an unconditional model, tens to hundreds of times. To deal with this limitation, we propose an approach to distilling classifier-free guided diffusion models into models that are fast to sample from: Given a pre-trained classifier-free guided model, we first learn a single model to match the output of the combined conditional and unconditional models, and then we progressively distill that model to a diffusion model that requires much fewer sampling steps. For standard diffusion models trained on the pixel-space, our approach is able to generate images visually comparable to that of the original model using as few as 4 sampling steps on ImageNet 64x64 and CIFAR-10, achieving FID/IS scores comparable to that of the original model while being up to 256 times faster to sample from. For diffusion models trained on the latent-space (e.g., Stable Diffusion), our approach is able to generate high-fidelity images using as few as 1 to 4 denoising steps, accelerating inference by at least 10-fold compared to existing methods on ImageNet 256x256 and LAION datasets. We further demonstrate the effectiveness of our approach on text-guided image editing and inpainting, where our distilled model is able to generate high-quality results using as few as 2-4 denoising steps.

Challenging Common Assumptions about Catastrophic Forgetting

Building learning agents that can progressively learn and accumulate knowledge is the core goal of the continual learning (CL) research field. Unfortunately, training a model on new data usually compromises the performance on past data. In the CL literature, this effect is referred to as catastrophic forgetting (CF). CF has been largely studied, and a plethora of methods have been proposed to address it on short sequences of non-overlapping tasks. In such setups, CF always leads to a quick and significant drop in performance in past tasks. Nevertheless, despite CF, recent work showed that SGD training on linear models accumulates knowledge in a CL regression setup. This phenomenon becomes especially visible when tasks reoccur. We might then wonder if DNNs trained with SGD or any standard gradient-based optimization accumulate knowledge in such a way. Such phenomena would have interesting consequences for applying DNNs to real continual scenarios. Indeed, standard gradient-based optimization methods are significantly less computationally expensive than existing CL algorithms. In this paper, we study the progressive knowledge accumulation (KA) in DNNs trained with gradient-based algorithms in long sequences of tasks with data re-occurrence. We propose a new framework, SCoLe (Scaling Continual Learning), to investigate KA and discover that catastrophic forgetting has a limited effect on DNNs trained with SGD. When trained on long sequences with data sparsely re-occurring, the overall accuracy improves, which might be counter-intuitive given the CF phenomenon. We empirically investigate KA in DNNs under various data occurrence frequencies and propose simple and scalable strategies to increase knowledge accumulation in DNNs.

MODNet: Real-Time Trimap-Free Portrait Matting via Objective Decomposition

Existing portrait matting methods either require auxiliary inputs that are costly to obtain or involve multiple stages that are computationally expensive, making them less suitable for real-time applications. In this work, we present a light-weight matting objective decomposition network (MODNet) for portrait matting in real-time with a single input image. The key idea behind our efficient design is by optimizing a series of sub-objectives simultaneously via explicit constraints. In addition, MODNet includes two novel techniques for improving model efficiency and robustness. First, an Efficient Atrous Spatial Pyramid Pooling (e-ASPP) module is introduced to fuse multi-scale features for semantic estimation. Second, a self-supervised sub-objectives consistency (SOC) strategy is proposed to adapt MODNet to real-world data to address the domain shift problem common to trimap-free methods. MODNet is easy to be trained in an end-to-end manner. It is much faster than contemporaneous methods and runs at 67 frames per second on a 1080Ti GPU. Experiments show that MODNet outperforms prior trimap-free methods by a large margin on both Adobe Matting Dataset and a carefully designed photographic portrait matting (PPM-100) benchmark proposed by us. Further, MODNet achieves remarkable results on daily photos and videos. Our code and models are available at https://github.com/ZHKKKe/MODNet, and the PPM-100 benchmark is released at https://github.com/ZHKKKe/PPM.

3D Bounding Box Estimation Using Deep Learning and Geometry

We present a method for 3D object detection and pose estimation from a single image. In contrast to current techniques that only regress the 3D orientation of an object, our method first regresses relatively stable 3D object properties using a deep convolutional neural network and then combines these estimates with geometric constraints provided by a 2D object bounding box to produce a complete 3D bounding box. The first network output estimates the 3D object orientation using a novel hybrid discrete-continuous loss, which significantly outperforms the L2 loss. The second output regresses the 3D object dimensions, which have relatively little variance compared to alternatives and can often be predicted for many object types. These estimates, combined with the geometric constraints on translation imposed by the 2D bounding box, enable us to recover a stable and accurate 3D object pose. We evaluate our method on the challenging KITTI object detection benchmark both on the official metric of 3D orientation estimation and also on the accuracy of the obtained 3D bounding boxes. Although conceptually simple, our method outperforms more complex and computationally expensive approaches that leverage semantic segmentation, instance level segmentation and flat ground priors and sub-category detection. Our discrete-continuous loss also produces state of the art results for 3D viewpoint estimation on the Pascal 3D+ dataset.

Layer Normalization

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

FBNet: Hardware-Aware Efficient ConvNet Design via Differentiable Neural Architecture Search

Designing accurate and efficient ConvNets for mobile devices is challenging because the design space is combinatorially large. Due to this, previous neural architecture search (NAS) methods are computationally expensive. ConvNet architecture optimality depends on factors such as input resolution and target devices. However, existing approaches are too expensive for case-by-case redesigns. Also, previous work focuses primarily on reducing FLOPs, but FLOP count does not always reflect actual latency. To address these, we propose a differentiable neural architecture search (DNAS) framework that uses gradient-based methods to optimize ConvNet architectures, avoiding enumerating and training individual architectures separately as in previous methods. FBNets, a family of models discovered by DNAS surpass state-of-the-art models both designed manually and generated automatically. FBNet-B achieves 74.1% top-1 accuracy on ImageNet with 295M FLOPs and 23.1 ms latency on a Samsung S8 phone, 2.4x smaller and 1.5x faster than MobileNetV2-1.3 with similar accuracy. Despite higher accuracy and lower latency than MnasNet, we estimate FBNet-B's search cost is 420x smaller than MnasNet's, at only 216 GPU-hours. Searched for different resolutions and channel sizes, FBNets achieve 1.5% to 6.4% higher accuracy than MobileNetV2. The smallest FBNet achieves 50.2% accuracy and 2.9 ms latency (345 frames per second) on a Samsung S8. Over a Samsung-optimized FBNet, the iPhone-X-optimized model achieves a 1.4x speedup on an iPhone X.

Adaptive Token Sampling For Efficient Vision Transformers

While state-of-the-art vision transformer models achieve promising results in image classification, they are computationally expensive and require many GFLOPs. Although the GFLOPs of a vision transformer can be decreased by reducing the number of tokens in the network, there is no setting that is optimal for all input images. In this work, we therefore introduce a differentiable parameter-free Adaptive Token Sampler (ATS) module, which can be plugged into any existing vision transformer architecture. ATS empowers vision transformers by scoring and adaptively sampling significant tokens. As a result, the number of tokens is not constant anymore and varies for each input image. By integrating ATS as an additional layer within the current transformer blocks, we can convert them into much more efficient vision transformers with an adaptive number of tokens. Since ATS is a parameter-free module, it can be added to the off-the-shelf pre-trained vision transformers as a plug and play module, thus reducing their GFLOPs without any additional training. Moreover, due to its differentiable design, one can also train a vision transformer equipped with ATS. We evaluate the efficiency of our module in both image and video classification tasks by adding it to multiple SOTA vision transformers. Our proposed module improves the SOTA by reducing their computational costs (GFLOPs) by 2X, while preserving their accuracy on the ImageNet, Kinetics-400, and Kinetics-600 datasets.

Aurora-M: The First Open Source Multilingual Language Model Red-teamed according to the U.S. Executive Order

Pretrained language models underpin several AI applications, but their high computational cost for training limits accessibility. Initiatives such as BLOOM and StarCoder aim to democratize access to pretrained models for collaborative community development. However, such existing models face challenges: limited multilingual capabilities, continual pretraining causing catastrophic forgetting, whereas pretraining from scratch is computationally expensive, and compliance with AI safety and development laws. This paper presents Aurora-M, a 15B parameter multilingual open-source model trained on English, Finnish, Hindi, Japanese, Vietnamese, and code. Continually pretrained from StarCoderPlus on 435 billion additional tokens, Aurora-M surpasses 2 trillion tokens in total training token count. It is the first open-source multilingual model fine-tuned on human-reviewed safety instructions, thus aligning its development not only with conventional red-teaming considerations, but also with the specific concerns articulated in the Biden-Harris Executive Order on the Safe, Secure, and Trustworthy Development and Use of Artificial Intelligence. Aurora-M is rigorously evaluated across various tasks and languages, demonstrating robustness against catastrophic forgetting and outperforming alternatives in multilingual settings, particularly in safety evaluations. To promote responsible open-source LLM development, Aurora-M and its variants are released at https://huggingface.co/collections/aurora-m/aurora-m-models-65fdfdff62471e09812f5407 .

GReaTer: Gradients over Reasoning Makes Smaller Language Models Strong Prompt Optimizers

The effectiveness of large language models (LLMs) is closely tied to the design of prompts, making prompt optimization essential for enhancing their performance across a wide range of tasks. Many existing approaches to automating prompt engineering rely exclusively on textual feedback, refining prompts based solely on inference errors identified by large, computationally expensive LLMs. Unfortunately, smaller models struggle to generate high-quality feedback, resulting in complete dependence on large LLM judgment. Moreover, these methods fail to leverage more direct and finer-grained information, such as gradients, due to operating purely in text space. To this end, we introduce GReaTer, a novel prompt optimization technique that directly incorporates gradient information over task-specific reasoning. By utilizing task loss gradients, GReaTer enables self-optimization of prompts for open-source, lightweight language models without the need for costly closed-source LLMs. This allows high-performance prompt optimization without dependence on massive LLMs, closing the gap between smaller models and the sophisticated reasoning often needed for prompt refinement. Extensive evaluations across diverse reasoning tasks including BBH, GSM8k, and FOLIO demonstrate that GReaTer consistently outperforms previous state-of-the-art prompt optimization methods, even those reliant on powerful LLMs. Additionally, GReaTer-optimized prompts frequently exhibit better transferability and, in some cases, boost task performance to levels comparable to or surpassing those achieved by larger language models, highlighting the effectiveness of prompt optimization guided by gradients over reasoning. Code of GReaTer is available at https://github.com/psunlpgroup/GreaTer.

Efficient Neural Music Generation

Recent progress in music generation has been remarkably advanced by the state-of-the-art MusicLM, which comprises a hierarchy of three LMs, respectively, for semantic, coarse acoustic, and fine acoustic modelings. Yet, sampling with the MusicLM requires processing through these LMs one by one to obtain the fine-grained acoustic tokens, making it computationally expensive and prohibitive for a real-time generation. Efficient music generation with a quality on par with MusicLM remains a significant challenge. In this paper, we present MeLoDy (M for music; L for LM; D for diffusion), an LM-guided diffusion model that generates music audios of state-of-the-art quality meanwhile reducing 95.7% or 99.6% forward passes in MusicLM, respectively, for sampling 10s or 30s music. MeLoDy inherits the highest-level LM from MusicLM for semantic modeling, and applies a novel dual-path diffusion (DPD) model and an audio VAE-GAN to efficiently decode the conditioning semantic tokens into waveform. DPD is proposed to simultaneously model the coarse and fine acoustics by incorporating the semantic information into segments of latents effectively via cross-attention at each denoising step. Our experimental results suggest the superiority of MeLoDy, not only in its practical advantages on sampling speed and infinitely continuable generation, but also in its state-of-the-art musicality, audio quality, and text correlation. Our samples are available at https://Efficient-MeLoDy.github.io/.

TrueTeacher: Learning Factual Consistency Evaluation with Large Language Models

Factual consistency evaluation is often conducted using Natural Language Inference (NLI) models, yet these models exhibit limited success in evaluating summaries. Previous work improved such models with synthetic training data. However, the data is typically based on perturbed human-written summaries, which often differ in their characteristics from real model-generated summaries and have limited coverage of possible factual errors. Alternatively, large language models (LLMs) have recently shown promising results in directly evaluating generative tasks, but are too computationally expensive for practical use. Motivated by these limitations, we introduce TrueTeacher, a method for generating synthetic data by annotating diverse model-generated summaries using a LLM. Unlike prior work, TrueTeacher does not rely on human-written summaries, and is multilingual by nature. Experiments on the TRUE benchmark show that a student model trained using our data, substantially outperforms both the state-of-the-art model with similar capacity, and the LLM teacher. In a systematic study, we compare TrueTeacher to existing synthetic data generation methods and demonstrate its superiority and robustness to domain-shift. Using the the mFACE dataset, we also show that our method generalizes to multilingual scenarios. Finally, we release a large-scale synthetic dataset with 1.4M examples generated using TrueTeacher.

Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

Activator: GLU Activations as The Core Functions of a Vision Transformer

Transformer architecture currently represents the main driver behind many successes in a variety of tasks addressed by deep learning, especially the recent advances in natural language processing (NLP) culminating with large language models (LLM). In addition, transformer architecture has found a wide spread of interest from computer vision (CV) researchers and practitioners, allowing for many advancements in vision-related tasks and opening the door for multi-task and multi-modal deep learning architectures that share the same principle of operation. One drawback to these architectures is their reliance on the scaled dot product attention mechanism with the softmax activation function, which is computationally expensive and requires large compute capabilities both for training and inference. This paper investigates substituting the attention mechanism usually adopted for transformer architecture with an architecture incorporating gated linear unit (GLU) activation within a multi-layer perceptron (MLP) structure in conjunction with the default MLP incorporated in the traditional transformer design. Another step forward taken by this paper is to eliminate the second non-gated MLP to further reduce the computational cost. Experimental assessments conducted by this research show that both proposed modifications and reductions offer competitive performance in relation to baseline architectures, in support of the aims of this work in establishing a more efficient yet capable alternative to the traditional attention mechanism as the core component in designing transformer architectures.

Concise and Organized Perception Facilitates Large Language Models for Deductive Reasoning

Exploiting large language models (LLMs) to tackle deductive reasoning has garnered growing attention. It still remains highly challenging to achieve satisfactory results in complex deductive problems, characterized by plenty of premises (i.e., facts or rules) entailing intricate relationships among entities and requiring multi-hop reasoning. One intuitive solution is to decompose the original task into smaller sub-tasks, and then chain the multiple casual reasoning steps together in a forward (e.g., Selection-Inference) or backward (e.g., LAMBADA) direction. However, these techniques inevitably necessitate a large number of overall stages, leading to computationally expensive operations and a higher possibility of making misleading steps. In addition to stage-by-stage decomposition, we draw inspiration from another aspect of human problem-solving. Humans tend to distill the most relevant information and organize their thoughts systematically (e.g., creating mind maps), which assists them in answering questions or drawing conclusions precisely and quickly. In light of this, we propose a novel reasoning approach named Concise and Organized Perception (COP). COP carefully analyzes the given statements to efficiently identify the most pertinent information while eliminating redundancy. It then prompts the LLMs in a more organized form that adapts to the model's inference process. By perceiving concise and organized proofs, the deductive reasoning abilities of LLMs can be better elicited, and the risk of acquiring errors caused by excessive reasoning stages is mitigated. Furthermore, our approach can be combined with the aforementioned ones to further boost their performance. Extensive experimental results on three popular deductive benchmarks (i.e., ProofWriter, PrOntoQA and PrOntoQA-OOD) show that COP significantly outperforms previous state-of-the-art methods.

Addressing Negative Transfer in Diffusion Models

Diffusion-based generative models have achieved remarkable success in various domains. It trains a shared model on denoising tasks that encompass different noise levels simultaneously, representing a form of multi-task learning (MTL). However, analyzing and improving diffusion models from an MTL perspective remains under-explored. In particular, MTL can sometimes lead to the well-known phenomenon of negative transfer, which results in the performance degradation of certain tasks due to conflicts between tasks. In this paper, we first aim to analyze diffusion training from an MTL standpoint, presenting two key observations: (O1) the task affinity between denoising tasks diminishes as the gap between noise levels widens, and (O2) negative transfer can arise even in diffusion training. Building upon these observations, we aim to enhance diffusion training by mitigating negative transfer. To achieve this, we propose leveraging existing MTL methods, but the presence of a huge number of denoising tasks makes this computationally expensive to calculate the necessary per-task loss or gradient. To address this challenge, we propose clustering the denoising tasks into small task clusters and applying MTL methods to them. Specifically, based on (O2), we employ interval clustering to enforce temporal proximity among denoising tasks within clusters. We show that interval clustering can be solved using dynamic programming, utilizing signal-to-noise ratio, timestep, and task affinity for clustering objectives. Through this, our approach addresses the issue of negative transfer in diffusion models by allowing for efficient computation of MTL methods. We validate the proposed clustering and its integration with MTL methods through various experiments, demonstrating improved sample quality of diffusion models. Our project page is available at https://gohyojun15.github.io/ANT_diffusion/{url}.

AdANNS: A Framework for Adaptive Semantic Search

Web-scale search systems learn an encoder to embed a given query which is then hooked into an approximate nearest neighbor search (ANNS) pipeline to retrieve similar data points. To accurately capture tail queries and data points, learned representations typically are rigid, high-dimensional vectors that are generally used as-is in the entire ANNS pipeline and can lead to computationally expensive retrieval. In this paper, we argue that instead of rigid representations, different stages of ANNS can leverage adaptive representations of varying capacities to achieve significantly better accuracy-compute trade-offs, i.e., stages of ANNS that can get away with more approximate computation should use a lower-capacity representation of the same data point. To this end, we introduce AdANNS, a novel ANNS design framework that explicitly leverages the flexibility of Matryoshka Representations. We demonstrate state-of-the-art accuracy-compute trade-offs using novel AdANNS-based key ANNS building blocks like search data structures (AdANNS-IVF) and quantization (AdANNS-OPQ). For example on ImageNet retrieval, AdANNS-IVF is up to 1.5% more accurate than the rigid representations-based IVF at the same compute budget; and matches accuracy while being up to 90x faster in wall-clock time. For Natural Questions, 32-byte AdANNS-OPQ matches the accuracy of the 64-byte OPQ baseline constructed using rigid representations -- same accuracy at half the cost! We further show that the gains from AdANNS translate to modern-day composite ANNS indices that combine search structures and quantization. Finally, we demonstrate that AdANNS can enable inference-time adaptivity for compute-aware search on ANNS indices built non-adaptively on matryoshka representations. Code is open-sourced at https://github.com/RAIVNLab/AdANNS.

DSI++: Updating Transformer Memory with New Documents

Differentiable Search Indices (DSIs) encode a corpus of documents in model parameters and use the same model to answer user queries directly. Despite the strong performance of DSI models, deploying them in situations where the corpus changes over time is computationally expensive because reindexing the corpus requires re-training the model. In this work, we introduce DSI++, a continual learning challenge for DSI to incrementally index new documents while being able to answer queries related to both previously and newly indexed documents. Across different model scales and document identifier representations, we show that continual indexing of new documents leads to considerable forgetting of previously indexed documents. We also hypothesize and verify that the model experiences forgetting events during training, leading to unstable learning. To mitigate these issues, we investigate two approaches. The first focuses on modifying the training dynamics. Flatter minima implicitly alleviate forgetting, so we optimize for flatter loss basins and show that the model stably memorizes more documents (+12%). Next, we introduce a generative memory to sample pseudo-queries for documents and supplement them during continual indexing to prevent forgetting for the retrieval task. Extensive experiments on novel continual indexing benchmarks based on Natural Questions (NQ) and MS MARCO demonstrate that our proposed solution mitigates forgetting significantly. Concretely, it improves the average Hits@10 by +21.1% over competitive baselines for NQ and requires 6 times fewer model updates compared to re-training the DSI model for incrementally indexing five corpora in a sequence.

DSEE: Dually Sparsity-embedded Efficient Tuning of Pre-trained Language Models

Gigantic pre-trained models have become central to natural language processing (NLP), serving as the starting point for fine-tuning towards a range of downstream tasks. However, two pain points persist for this paradigm: (a) as the pre-trained models grow bigger (e.g., 175B parameters for GPT-3), even the fine-tuning process can be time-consuming and computationally expensive; (b) the fine-tuned model has the same size as its starting point by default, which is neither sensible due to its more specialized functionality, nor practical since many fine-tuned models will be deployed in resource-constrained environments. To address these pain points, we propose a framework for resource- and parameter-efficient fine-tuning by leveraging the sparsity prior in both weight updates and the final model weights. Our proposed framework, dubbed Dually Sparsity-Embedded Efficient Tuning (DSEE), aims to achieve two key objectives: (i) parameter efficient fine-tuning - by enforcing sparsity-aware low-rank updates on top of the pre-trained weights; and (ii) resource-efficient inference - by encouraging a sparse weight structure towards the final fine-tuned model. We leverage sparsity in these two directions by exploiting both unstructured and structured sparse patterns in pre-trained language models via a unified approach. Extensive experiments and in-depth investigations, with diverse network backbones (i.e., BERT, RoBERTa, and GPT-2) on dozens of datasets, consistently demonstrate impressive parameter-/inference-efficiency, while maintaining competitive downstream performance. For instance, DSEE saves about 25% inference FLOPs while achieving comparable performance, with 0.5% trainable parameters on BERT. Codes are available in https://github.com/VITA-Group/DSEE.

Low Rank Factorization for Compact Multi-Head Self-Attention

Effective representation learning from text has been an active area of research in the fields of NLP and text mining. Attention mechanisms have been at the forefront in order to learn contextual sentence representations. Current state-of-the-art approaches for many NLP tasks use large pre-trained language models such as BERT, XLNet and so on for learning representations. These models are based on the Transformer architecture that involves recurrent blocks of computation consisting of multi-head self-attention and feedforward networks. One of the major bottlenecks largely contributing to the computational complexity of the Transformer models is the self-attention layer, that is both computationally expensive and parameter intensive. In this work, we introduce a novel multi-head self-attention mechanism operating on GRUs that is shown to be computationally cheaper and more parameter efficient than self-attention mechanism proposed in Transformers for text classification tasks. The efficiency of our approach mainly stems from two optimizations; 1) we use low-rank matrix factorization of the affinity matrix to efficiently get multiple attention distributions instead of having separate parameters for each head 2) attention scores are obtained by querying a global context vector instead of densely querying all the words in the sentence. We evaluate the performance of the proposed model on tasks such as sentiment analysis from movie reviews, predicting business ratings from reviews and classifying news articles into topics. We find that the proposed approach matches or outperforms a series of strong baselines and is more parameter efficient than comparable multi-head approaches. We also perform qualitative analyses to verify that the proposed approach is interpretable and captures context-dependent word importance.

EigenShield: Causal Subspace Filtering via Random Matrix Theory for Adversarially Robust Vision-Language Models

Vision-Language Models (VLMs) inherit adversarial vulnerabilities of Large Language Models (LLMs), which are further exacerbated by their multimodal nature. Existing defenses, including adversarial training, input transformations, and heuristic detection, are computationally expensive, architecture-dependent, and fragile against adaptive attacks. We introduce EigenShield, an inference-time defense leveraging Random Matrix Theory to quantify adversarial disruptions in high-dimensional VLM representations. Unlike prior methods that rely on empirical heuristics, EigenShield employs the spiked covariance model to detect structured spectral deviations. Using a Robustness-based Nonconformity Score (RbNS) and quantile-based thresholding, it separates causal eigenvectors, which encode semantic information, from correlational eigenvectors that are susceptible to adversarial artifacts. By projecting embeddings onto the causal subspace, EigenShield filters adversarial noise without modifying model parameters or requiring adversarial training. This architecture-independent, attack-agnostic approach significantly reduces the attack success rate, establishing spectral analysis as a principled alternative to conventional defenses. Our results demonstrate that EigenShield consistently outperforms all existing defenses, including adversarial training, UNIGUARD, and CIDER.

Refusal Tokens: A Simple Way to Calibrate Refusals in Large Language Models

A key component of building safe and reliable language models is enabling the models to appropriately refuse to follow certain instructions or answer certain questions. We may want models to output refusal messages for various categories of user queries, for example, ill-posed questions, instructions for committing illegal acts, or queries which require information past the model's knowledge horizon. Engineering models that refuse to answer such questions is complicated by the fact that an individual may want their model to exhibit varying levels of sensitivity for refusing queries of various categories, and different users may want different refusal rates. The current default approach involves training multiple models with varying proportions of refusal messages from each category to achieve the desired refusal rates, which is computationally expensive and may require training a new model to accommodate each user's desired preference over refusal rates. To address these challenges, we propose refusal tokens, one such token for each refusal category or a single refusal token, which are prepended to the model's responses during training. We then show how to increase or decrease the probability of generating the refusal token for each category during inference to steer the model's refusal behavior. Refusal tokens enable controlling a single model's refusal rates without the need of any further fine-tuning, but only by selectively intervening during generation.

GenUP: Generative User Profilers as In-Context Learners for Next POI Recommender Systems

Traditional POI recommendation systems often lack transparency, interpretability, and scrutability due to their reliance on dense vector-based user embeddings. Furthermore, the cold-start problem -- where systems have insufficient data for new users -- limits their ability to generate accurate recommendations. Existing methods often address this by leveraging similar trajectories from other users, but this approach can be computationally expensive and increases the context length for LLM-based methods, making them difficult to scale. To address these limitations, we propose a method that generates natural language (NL) user profiles from large-scale, location-based social network (LBSN) check-ins, utilizing robust personality assessments and behavioral theories. These NL profiles capture user preferences, routines, and behaviors, improving POI prediction accuracy while offering enhanced transparency. By incorporating NL profiles as system prompts to LLMs, our approach reduces reliance on extensive historical data, while remaining flexible, easily updated, and computationally efficient. Our method is not only competitive with other LLM-based and complex agentic frameworks but is also more scalable for real-world scenarios and on-device POI recommendations. Results demonstrate that our approach consistently outperforms baseline methods, offering a more interpretable and resource-efficient solution for POI recommendation systems. Our source code is available at: https://github.com/w11wo/GenUP.

Streaming Deep Reinforcement Learning Finally Works

Natural intelligence processes experience as a continuous stream, sensing, acting, and learning moment-by-moment in real time. Streaming learning, the modus operandi of classic reinforcement learning (RL) algorithms like Q-learning and TD, mimics natural learning by using the most recent sample without storing it. This approach is also ideal for resource-constrained, communication-limited, and privacy-sensitive applications. However, in deep RL, learners almost always use batch updates and replay buffers, making them computationally expensive and incompatible with streaming learning. Although the prevalence of batch deep RL is often attributed to its sample efficiency, a more critical reason for the absence of streaming deep RL is its frequent instability and failure to learn, which we refer to as stream barrier. This paper introduces the stream-x algorithms, the first class of deep RL algorithms to overcome stream barrier for both prediction and control and match sample efficiency of batch RL. Through experiments in Mujoco Gym, DM Control Suite, and Atari Games, we demonstrate stream barrier in existing algorithms and successful stable learning with our stream-x algorithms: stream Q, stream AC, and stream TD, achieving the best model-free performance in DM Control Dog environments. A set of common techniques underlies the stream-x algorithms, enabling their success with a single set of hyperparameters and allowing for easy extension to other algorithms, thereby reviving streaming RL.

Evaluating Language Models for Efficient Code Generation

We introduce Differential Performance Evaluation (DPE), a framework designed to reliably evaluate Large Language Models (LLMs) for efficient code generation. Traditional coding benchmarks often fail to provide reliable insights into code efficiency, due to their reliance on simplistic test inputs and the absence of effective compound metrics. DPE addresses these issues by focusing on efficiency-demanding programming tasks and establishing an insightful compound metric for performance evaluation. DPE operates in two phases: To curate efficiency datasets, it selects efficiency-demanding tasks from existing coding benchmarks and generates computationally expensive inputs to stress the efficiency of LLM solutions. To assess the code efficiency, DPE profiles the new solution and compares it globally against a set of reference solutions that exhibit distinct efficiency levels, where the matched level defines its efficiency score. As a proof of concept, we use DPE to create EvalPerf, a benchmark with 121 performance-challenging coding tasks. Our comprehensive evaluation draws interesting findings on the efficiency impact of model sizes, instruction tuning, and prompting. For example, while the scaling law fails to account for code efficiency, general instruction tuning benefits both code correctness and efficiency. We also evaluate the evaluation by examining the effectiveness of DPE, showing that EvalPerf is reliable and convenient to use even across platforms.

Open-YOLO 3D: Towards Fast and Accurate Open-Vocabulary 3D Instance Segmentation

Recent works on open-vocabulary 3D instance segmentation show strong promise, but at the cost of slow inference speed and high computation requirements. This high computation cost is typically due to their heavy reliance on 3D clip features, which require computationally expensive 2D foundation models like Segment Anything (SAM) and CLIP for multi-view aggregation into 3D. As a consequence, this hampers their applicability in many real-world applications that require both fast and accurate predictions. To this end, we propose a fast yet accurate open-vocabulary 3D instance segmentation approach, named Open-YOLO 3D, that effectively leverages only 2D object detection from multi-view RGB images for open-vocabulary 3D instance segmentation. We address this task by generating class-agnostic 3D masks for objects in the scene and associating them with text prompts. We observe that the projection of class-agnostic 3D point cloud instances already holds instance information; thus, using SAM might only result in redundancy that unnecessarily increases the inference time. We empirically find that a better performance of matching text prompts to 3D masks can be achieved in a faster fashion with a 2D object detector. We validate our Open-YOLO 3D on two benchmarks, ScanNet200 and Replica, under two scenarios: (i) with ground truth masks, where labels are required for given object proposals, and (ii) with class-agnostic 3D proposals generated from a 3D proposal network. Our Open-YOLO 3D achieves state-of-the-art performance on both datasets while obtaining up to sim16times speedup compared to the best existing method in literature. On ScanNet200 val. set, our Open-YOLO 3D achieves mean average precision (mAP) of 24.7\% while operating at 22 seconds per scene. Code and model are available at github.com/aminebdj/OpenYOLO3D.

Parameter-Efficient Fine-Tuning for Large Models: A Comprehensive Survey

Large models represent a groundbreaking advancement in multiple application fields, enabling remarkable achievements across various tasks. However, their unprecedented scale comes with significant computational costs. These models, often consisting of billions of parameters, require vast amounts of computational resources for execution. Especially, the expansive scale and computational demands pose considerable challenges when customizing them for particular downstream tasks, particularly over the hardware platforms constrained by computational capabilities. Parameter Efficient Fine-Tuning (PEFT) provides a practical solution by efficiently adapt the large models over the various downstream tasks. In particular, PEFT refers to the process of adjusting the parameters of a pre-trained large models to adapt it to a specific task while minimizing the number of additional parameters introduced or computational resources required. This approach is particularly important when dealing with large language models with high parameter counts, as fine-tuning these models from scratch can be computationally expensive and resource-intensive, posing considerable challenges in the supporting system platform design. In this survey, we present comprehensive studies of various PEFT algorithms, examining their performance and computational overhead. Moreover, we provide an overview of applications developed using different PEFT algorithms and discuss common techniques employed to mitigate computation costs for PEFT. In addition to the algorithmic perspective, we overview various real-world system designs to investigate the implementation costs associated with different PEFT algorithms. This survey serves as an indispensable resource for researchers aiming to understand both the PEFT algorithm and its system implementation, offering detailed insights into recent advancements and practical applications.

SINDy-RL: Interpretable and Efficient Model-Based Reinforcement Learning

Deep reinforcement learning (DRL) has shown significant promise for uncovering sophisticated control policies that interact in environments with complicated dynamics, such as stabilizing the magnetohydrodynamics of a tokamak fusion reactor or minimizing the drag force exerted on an object in a fluid flow. However, these algorithms require an abundance of training examples and may become prohibitively expensive for many applications. In addition, the reliance on deep neural networks often results in an uninterpretable, black-box policy that may be too computationally expensive to use with certain embedded systems. Recent advances in sparse dictionary learning, such as the sparse identification of nonlinear dynamics (SINDy), have shown promise for creating efficient and interpretable data-driven models in the low-data regime. In this work we introduce SINDy-RL, a unifying framework for combining SINDy and DRL to create efficient, interpretable, and trustworthy representations of the dynamics model, reward function, and control policy. We demonstrate the effectiveness of our approaches on benchmark control environments and challenging fluids problems. SINDy-RL achieves comparable performance to state-of-the-art DRL algorithms using significantly fewer interactions in the environment and results in an interpretable control policy orders of magnitude smaller than a deep neural network policy.

T-TAME: Trainable Attention Mechanism for Explaining Convolutional Networks and Vision Transformers

The development and adoption of Vision Transformers and other deep-learning architectures for image classification tasks has been rapid. However, the "black box" nature of neural networks is a barrier to adoption in applications where explainability is essential. While some techniques for generating explanations have been proposed, primarily for Convolutional Neural Networks, adapting such techniques to the new paradigm of Vision Transformers is non-trivial. This paper presents T-TAME, Transformer-compatible Trainable Attention Mechanism for Explanations, a general methodology for explaining deep neural networks used in image classification tasks. The proposed architecture and training technique can be easily applied to any convolutional or Vision Transformer-like neural network, using a streamlined training approach. After training, explanation maps can be computed in a single forward pass; these explanation maps are comparable to or outperform the outputs of computationally expensive perturbation-based explainability techniques, achieving SOTA performance. We apply T-TAME to three popular deep learning classifier architectures, VGG-16, ResNet-50, and ViT-B-16, trained on the ImageNet dataset, and we demonstrate improvements over existing state-of-the-art explainability methods. A detailed analysis of the results and an ablation study provide insights into how the T-TAME design choices affect the quality of the generated explanation maps.

Locality Sensitive Sparse Encoding for Learning World Models Online

Acquiring an accurate world model online for model-based reinforcement learning (MBRL) is challenging due to data nonstationarity, which typically causes catastrophic forgetting for neural networks (NNs). From the online learning perspective, a Follow-The-Leader (FTL) world model is desirable, which optimally fits all previous experiences at each round. Unfortunately, NN-based models need re-training on all accumulated data at every interaction step to achieve FTL, which is computationally expensive for lifelong agents. In this paper, we revisit models that can achieve FTL with incremental updates. Specifically, our world model is a linear regression model supported by nonlinear random features. The linear part ensures efficient FTL update while the nonlinear random feature empowers the fitting of complex environments. To best trade off model capacity and computation efficiency, we introduce a locality sensitive sparse encoding, which allows us to conduct efficient sparse updates even with very high dimensional nonlinear features. We validate the representation power of our encoding and verify that it allows efficient online learning under data covariate shift. We also show, in the Dyna MBRL setting, that our world models learned online using a single pass of trajectory data either surpass or match the performance of deep world models trained with replay and other continual learning methods.

Are Large Language Models Post Hoc Explainers?

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

DISCO: Distilling Counterfactuals with Large Language Models

Models trained with counterfactually augmented data learn representations of the causal structure of tasks, enabling robust generalization. However, high-quality counterfactual data is scarce for most tasks and not easily generated at scale. When crowdsourced, such data is typically limited in scale and diversity; when generated using supervised methods, it is computationally expensive to extend to new counterfactual dimensions. In this work, we introduce DISCO (DIStilled COunterfactual Data), a new method for automatically generating high quality counterfactual data at scale. DISCO engineers prompts to generate phrasal perturbations with a large general language model. Then, a task-specific teacher model filters these generations to distill high-quality counterfactual data. While task-agnostic, we apply our pipeline to the task of natural language inference (NLI) and find that on challenging evaluations such as the NLI stress test, comparatively smaller student models trained with DISCO generated counterfactuals are more robust (6% absolute) and generalize better across distributions (2%) compared to models trained without data augmentation. Furthermore, DISCO augmented models are 10% more consistent between counterfactual pairs on three evaluation sets, demonstrating that DISCO augmentation enables models to more reliably learn causal representations. Our repository is available at: https://github.com/eric11eca/disco

xTrimoABFold: De novo Antibody Structure Prediction without MSA

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic understanding of its function. Therefore, antibody structure prediction from its sequence alone has always been a highly valuable problem for de novo antibody design. AlphaFold2, a breakthrough in the field of structural biology, provides a solution to predict protein structure based on protein sequences and computationally expensive coevolutionary multiple sequence alignments (MSAs). However, the computational efficiency and undesirable prediction accuracy of antibodies, especially on the complementarity-determining regions (CDRs) of antibodies limit their applications in the industrially high-throughput drug design. To learn an informative representation of antibodies, we employed a deep antibody language model (ALM) on curated sequences from the observed antibody space database via a transformer model. We also developed a novel model named xTrimoABFold to predict antibody structure from antibody sequence based on the pretrained ALM as well as efficient evoformers and structural modules. The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss. xTrimoABFold outperforms AlphaFold2 and other protein language model based SOTAs, e.g., OmegaFold, HelixFold-Single, and IgFold with a large significant margin (30+\% improvement on RMSD) while performing 151 times faster than AlphaFold2. To the best of our knowledge, xTrimoABFold achieved state-of-the-art antibody structure prediction. Its improvement in both accuracy and efficiency makes it a valuable tool for de novo antibody design and could make further improvements in immuno-theory.

Autonomous In-Situ Soundscape Augmentation via Joint Selection of Masker and Gain

The selection of maskers and playback gain levels in a soundscape augmentation system is crucial to its effectiveness in improving the overall acoustic comfort of a given environment. Traditionally, the selection of appropriate maskers and gain levels has been informed by expert opinion, which may not representative of the target population, or by listening tests, which can be time-consuming and labour-intensive. Furthermore, the resulting static choices of masker and gain are often inflexible to the dynamic nature of real-world soundscapes. In this work, we utilized a deep learning model to perform joint selection of the optimal masker and its gain level for a given soundscape. The proposed model was designed with highly modular building blocks, allowing for an optimized inference process that can quickly search through a large number of masker and gain combinations. In addition, we introduced the use of feature-domain soundscape augmentation conditioned on the digital gain level, eliminating the computationally expensive waveform-domain mixing process during inference time, as well as the tedious pre-calibration process required for new maskers. The proposed system was validated on a large-scale dataset of subjective responses to augmented soundscapes with more than 440 participants, ensuring the ability of the model to predict combined effect of the masker and its gain level on the perceptual pleasantness level.

SCGC : Self-Supervised Contrastive Graph Clustering

Graph clustering discovers groups or communities within networks. Deep learning methods such as autoencoders (AE) extract effective clustering and downstream representations but cannot incorporate rich structural information. While Graph Neural Networks (GNN) have shown great success in encoding graph structure, typical GNNs based on convolution or attention variants suffer from over-smoothing, noise, heterophily, are computationally expensive and typically require the complete graph being present. Instead, we propose Self-Supervised Contrastive Graph Clustering (SCGC), which imposes graph-structure via contrastive loss signals to learn discriminative node representations and iteratively refined soft cluster labels. We also propose SCGC*, with a more effective, novel, Influence Augmented Contrastive (IAC) loss to fuse richer structural information, and half the original model parameters. SCGC(*) is faster with simple linear units, completely eliminate convolutions and attention of traditional GNNs, yet efficiently incorporates structure. It is impervious to layer depth and robust to over-smoothing, incorrect edges and heterophily. It is scalable by batching, a limitation in many prior GNN models, and trivially parallelizable. We obtain significant improvements over state-of-the-art on a wide range of benchmark graph datasets, including images, sensor data, text, and citation networks efficiently. Specifically, 20% on ARI and 18% on NMI for DBLP; overall 55% reduction in training time and overall, 81% reduction on inference time. Our code is available at : https://github.com/gayanku/SCGC

DOM-LM: Learning Generalizable Representations for HTML Documents

HTML documents are an important medium for disseminating information on the Web for human consumption. An HTML document presents information in multiple text formats including unstructured text, structured key-value pairs, and tables. Effective representation of these documents is essential for machine understanding to enable a wide range of applications, such as Question Answering, Web Search, and Personalization. Existing work has either represented these documents using visual features extracted by rendering them in a browser, which is typically computationally expensive, or has simply treated them as plain text documents, thereby failing to capture useful information presented in their HTML structure. We argue that the text and HTML structure together convey important semantics of the content and therefore warrant a special treatment for their representation learning. In this paper, we introduce a novel representation learning approach for web pages, dubbed DOM-LM, which addresses the limitations of existing approaches by encoding both text and DOM tree structure with a transformer-based encoder and learning generalizable representations for HTML documents via self-supervised pre-training. We evaluate DOM-LM on a variety of webpage understanding tasks, including Attribute Extraction, Open Information Extraction, and Question Answering. Our extensive experiments show that DOM-LM consistently outperforms all baselines designed for these tasks. In particular, DOM-LM demonstrates better generalization performance both in few-shot and zero-shot settings, making it attractive for making it suitable for real-world application settings with limited labeled data.

Revisiting Transformation Invariant Geometric Deep Learning: Are Initial Representations All You Need?

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

A Text Classification Framework for Simple and Effective Early Depression Detection Over Social Media Streams

With the rise of the Internet, there is a growing need to build intelligent systems that are capable of efficiently dealing with early risk detection (ERD) problems on social media, such as early depression detection, early rumor detection or identification of sexual predators. These systems, nowadays mostly based on machine learning techniques, must be able to deal with data streams since users provide their data over time. In addition, these systems must be able to decide when the processed data is sufficient to actually classify users. Moreover, since ERD tasks involve risky decisions by which people's lives could be affected, such systems must also be able to justify their decisions. However, most standard and state-of-the-art supervised machine learning models are not well suited to deal with this scenario. This is due to the fact that they either act as black boxes or do not support incremental classification/learning. In this paper we introduce SS3, a novel supervised learning model for text classification that naturally supports these aspects. SS3 was designed to be used as a general framework to deal with ERD problems. We evaluated our model on the CLEF's eRisk2017 pilot task on early depression detection. Most of the 30 contributions submitted to this competition used state-of-the-art methods. Experimental results show that our classifier was able to outperform these models and standard classifiers, despite being less computationally expensive and having the ability to explain its rationale.

Supervised learning with quantum enhanced feature spaces

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.

EMMA: End-to-End Multimodal Model for Autonomous Driving

We introduce EMMA, an End-to-end Multimodal Model for Autonomous driving. Built on a multi-modal large language model foundation, EMMA directly maps raw camera sensor data into various driving-specific outputs, including planner trajectories, perception objects, and road graph elements. EMMA maximizes the utility of world knowledge from the pre-trained large language models, by representing all non-sensor inputs (e.g. navigation instructions and ego vehicle status) and outputs (e.g. trajectories and 3D locations) as natural language text. This approach allows EMMA to jointly process various driving tasks in a unified language space, and generate the outputs for each task using task-specific prompts. Empirically, we demonstrate EMMA's effectiveness by achieving state-of-the-art performance in motion planning on nuScenes as well as competitive results on the Waymo Open Motion Dataset (WOMD). EMMA also yields competitive results for camera-primary 3D object detection on the Waymo Open Dataset (WOD). We show that co-training EMMA with planner trajectories, object detection, and road graph tasks yields improvements across all three domains, highlighting EMMA's potential as a generalist model for autonomous driving applications. However, EMMA also exhibits certain limitations: it can process only a small amount of image frames, does not incorporate accurate 3D sensing modalities like LiDAR or radar and is computationally expensive. We hope that our results will inspire further research to mitigate these issues and to further evolve the state of the art in autonomous driving model architectures.

Instructive3D: Editing Large Reconstruction Models with Text Instructions

Transformer based methods have enabled users to create, modify, and comprehend text and image data. Recently proposed Large Reconstruction Models (LRMs) further extend this by providing the ability to generate high-quality 3D models with the help of a single object image. These models, however, lack the ability to manipulate or edit the finer details, such as adding standard design patterns or changing the color and reflectance of the generated objects, thus lacking fine-grained control that may be very helpful in domains such as augmented reality, animation and gaming. Naively training LRMs for this purpose would require generating precisely edited images and 3D object pairs, which is computationally expensive. In this paper, we propose Instructive3D, a novel LRM based model that integrates generation and fine-grained editing, through user text prompts, of 3D objects into a single model. We accomplish this by adding an adapter that performs a diffusion process conditioned on a text prompt specifying edits in the triplane latent space representation of 3D object models. Our method does not require the generation of edited 3D objects. Additionally, Instructive3D allows us to perform geometrically consistent modifications, as the edits done through user-defined text prompts are applied to the triplane latent representation thus enhancing the versatility and precision of 3D objects generated. We compare the objects generated by Instructive3D and a baseline that first generates the 3D object meshes using a standard LRM model and then edits these 3D objects using text prompts when images are provided from the Objaverse LVIS dataset. We find that Instructive3D produces qualitatively superior 3D objects with the properties specified by the edit prompts.

Global-Local Similarity for Efficient Fine-Grained Image Recognition with Vision Transformers

Fine-grained recognition involves the classification of images from subordinate macro-categories, and it is challenging due to small inter-class differences. To overcome this, most methods perform discriminative feature selection enabled by a feature extraction backbone followed by a high-level feature refinement step. Recently, many studies have shown the potential behind vision transformers as a backbone for fine-grained recognition, but their usage of its attention mechanism to select discriminative tokens can be computationally expensive. In this work, we propose a novel and computationally inexpensive metric to identify discriminative regions in an image. We compare the similarity between the global representation of an image given by the CLS token, a learnable token used by transformers for classification, and the local representation of individual patches. We select the regions with the highest similarity to obtain crops, which are forwarded through the same transformer encoder. Finally, high-level features of the original and cropped representations are further refined together in order to make more robust predictions. Through extensive experimental evaluation we demonstrate the effectiveness of our proposed method, obtaining favorable results in terms of accuracy across a variety of datasets. Furthermore, our method achieves these results at a much lower computational cost compared to the alternatives. Code and checkpoints are available at: https://github.com/arkel23/GLSim.

SORRY-Bench: Systematically Evaluating Large Language Model Safety Refusal Behaviors

Evaluating aligned large language models' (LLMs) ability to recognize and reject unsafe user requests is crucial for safe, policy-compliant deployments. Existing evaluation efforts, however, face three limitations that we address with SORRY-Bench, our proposed benchmark. First, existing methods often use coarse-grained taxonomies of unsafe topics, and are over-representing some fine-grained topics. For example, among the ten existing datasets that we evaluated, tests for refusals of self-harm instructions are over 3x less represented than tests for fraudulent activities. SORRY-Bench improves on this by using a fine-grained taxonomy of 45 potentially unsafe topics, and 450 class-balanced unsafe instructions, compiled through human-in-the-loop methods. Second, linguistic characteristics and formatting of prompts are often overlooked, like different languages, dialects, and more -- which are only implicitly considered in many evaluations. We supplement SORRY-Bench with 20 diverse linguistic augmentations to systematically examine these effects. Third, existing evaluations rely on large LLMs (e.g., GPT-4) for evaluation, which can be computationally expensive. We investigate design choices for creating a fast, accurate automated safety evaluator. By collecting 7K+ human annotations and conducting a meta-evaluation of diverse LLM-as-a-judge designs, we show that fine-tuned 7B LLMs can achieve accuracy comparable to GPT-4 scale LLMs, with lower computational cost. Putting these together, we evaluate over 40 proprietary and open-source LLMs on SORRY-Bench, analyzing their distinctive refusal behaviors. We hope our effort provides a building block for systematic evaluations of LLMs' safety refusal capabilities, in a balanced, granular, and efficient manner.

Efficient Bayesian Learning Curve Extrapolation using Prior-Data Fitted Networks

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

Anatomically-aware Uncertainty for Semi-supervised Image Segmentation

Semi-supervised learning relaxes the need of large pixel-wise labeled datasets for image segmentation by leveraging unlabeled data. A prominent way to exploit unlabeled data is to regularize model predictions. Since the predictions of unlabeled data can be unreliable, uncertainty-aware schemes are typically employed to gradually learn from meaningful and reliable predictions. Uncertainty estimation methods, however, rely on multiple inferences from the model predictions that must be computed for each training step, which is computationally expensive. Moreover, these uncertainty maps capture pixel-wise disparities and do not consider global information. This work proposes a novel method to estimate segmentation uncertainty by leveraging global information from the segmentation masks. More precisely, an anatomically-aware representation is first learnt to model the available segmentation masks. The learnt representation thereupon maps the prediction of a new segmentation into an anatomically-plausible segmentation. The deviation from the plausible segmentation aids in estimating the underlying pixel-level uncertainty in order to further guide the segmentation network. The proposed method consequently estimates the uncertainty using a single inference from our representation, thereby reducing the total computation. We evaluate our method on two publicly available segmentation datasets of left atria in cardiac MRIs and of multiple organs in abdominal CTs. Our anatomically-aware method improves the segmentation accuracy over the state-of-the-art semi-supervised methods in terms of two commonly used evaluation metrics.

FlexiBERT: Are Current Transformer Architectures too Homogeneous and Rigid?

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

Evaluating explainable artificial intelligence methods for multi-label deep learning classification tasks in remote sensing

Although deep neural networks hold the state-of-the-art in several remote sensing tasks, their black-box operation hinders the understanding of their decisions, concealing any bias and other shortcomings in datasets and model performance. To this end, we have applied explainable artificial intelligence (XAI) methods in remote sensing multi-label classification tasks towards producing human-interpretable explanations and improve transparency. In particular, we utilized and trained deep learning models with state-of-the-art performance in the benchmark BigEarthNet and SEN12MS datasets. Ten XAI methods were employed towards understanding and interpreting models' predictions, along with quantitative metrics to assess and compare their performance. Numerous experiments were performed to assess the overall performance of XAI methods for straightforward prediction cases, competing multiple labels, as well as misclassification cases. According to our findings, Occlusion, Grad-CAM and Lime were the most interpretable and reliable XAI methods. However, none delivers high-resolution outputs, while apart from Grad-CAM, both Lime and Occlusion are computationally expensive. We also highlight different aspects of XAI performance and elaborate with insights on black-box decisions in order to improve transparency, understand their behavior and reveal, as well, datasets' particularities.

The impact of internal variability on benchmarking deep learning climate emulators

Full-complexity Earth system models (ESMs) are computationally very expensive, limiting their use in exploring the climate outcomes of multiple emission pathways. More efficient emulators that approximate ESMs can directly map emissions onto climate outcomes, and benchmarks are being used to evaluate their accuracy on standardized tasks and datasets. We investigate a popular benchmark in data-driven climate emulation, ClimateBench, on which deep learning-based emulators are currently achieving the best performance. We implement a linear regression-based emulator, akin to pattern scaling, and find that it outperforms the incumbent 100M-parameter deep learning foundation model, ClimaX, on 3 out of 4 regionally-resolved surface-level climate variables. While emulating surface temperature is expected to be predominantly linear, this result is surprising for emulating precipitation. We identify that this outcome is a result of high levels of internal variability in the benchmark targets. To address internal variability, we update the benchmark targets with ensemble averages from the MPI-ESM1.2-LR model that contain 50 instead of 3 climate simulations per emission pathway. Using the new targets, we show that linear pattern scaling continues to be more accurate on temperature, but can be outperformed by a deep learning-based model for emulating precipitation. We publish our code, data, and an interactive tutorial at github.com/blutjens/climate-emulator.

Collapsible Linear Blocks for Super-Efficient Super Resolution

With the advent of smart devices that support 4K and 8K resolution, Single Image Super Resolution (SISR) has become an important computer vision problem. However, most super resolution deep networks are computationally very expensive. In this paper, we propose Super-Efficient Super Resolution (SESR) networks that establish a new state-of-the-art for efficient super resolution. Our approach is based on linear overparameterization of CNNs and creates an efficient model architecture for SISR. With theoretical analysis, we uncover the limitations of existing overparameterization methods and show how the proposed method alleviates them. Detailed experiments across six benchmark datasets demonstrate that SESR achieves similar or better image quality than state-of-the-art models while requiring 2x to 330x fewer Multiply-Accumulate (MAC) operations. As a result, SESR can be used on constrained hardware to perform x2 (1080p to 4K) and x4 (1080p to 8K) SISR. Towards this, we estimate hardware performance numbers for a commercial Arm mobile-Neural Processing Unit (NPU) for 1080p to 4K (x2) and 1080p to 8K (x4) SISR. Our results highlight the challenges faced by super resolution on AI accelerators and demonstrate that SESR is significantly faster (e.g., 6x-8x higher FPS) than existing models on mobile-NPU. Finally, SESR outperforms prior models by 1.5x-2x in latency on Arm CPU and GPU when deployed on a real mobile device. The code for this work is available at https://github.com/ARM-software/sesr.

Trans-Encoder: Unsupervised sentence-pair modelling through self- and mutual-distillations

In NLP, a large volume of tasks involve pairwise comparison between two sequences (e.g. sentence similarity and paraphrase identification). Predominantly, two formulations are used for sentence-pair tasks: bi-encoders and cross-encoders. Bi-encoders produce fixed-dimensional sentence representations and are computationally efficient, however, they usually underperform cross-encoders. Cross-encoders can leverage their attention heads to exploit inter-sentence interactions for better performance but they require task fine-tuning and are computationally more expensive. In this paper, we present a completely unsupervised sentence representation model termed as Trans-Encoder that combines the two learning paradigms into an iterative joint framework to simultaneously learn enhanced bi- and cross-encoders. Specifically, on top of a pre-trained Language Model (PLM), we start with converting it to an unsupervised bi-encoder, and then alternate between the bi- and cross-encoder task formulations. In each alternation, one task formulation will produce pseudo-labels which are used as learning signals for the other task formulation. We then propose an extension to conduct such self-distillation approach on multiple PLMs in parallel and use the average of their pseudo-labels for mutual-distillation. Trans-Encoder creates, to the best of our knowledge, the first completely unsupervised cross-encoder and also a state-of-the-art unsupervised bi-encoder for sentence similarity. Both the bi-encoder and cross-encoder formulations of Trans-Encoder outperform recently proposed state-of-the-art unsupervised sentence encoders such as Mirror-BERT and SimCSE by up to 5% on the sentence similarity benchmarks.

mBLIP: Efficient Bootstrapping of Multilingual Vision-LLMs

Modular vision-language models (Vision-LLMs) align pretrained image encoders with (pretrained) large language models (LLMs), representing a computationally much more efficient alternative to end-to-end training of large vision-language models from scratch, which is prohibitively expensive for most. Vision-LLMs instead post-hoc condition LLMs to `understand' the output of an image encoder. With the abundance of readily available high-quality English image-text data as well as monolingual English LLMs, the research focus has been on English-only Vision-LLMs. Multilingual vision-language models are still predominantly obtained via expensive end-to-end pretraining, resulting in comparatively smaller models, trained on limited multilingual image data supplemented with text-only multilingual corpora. In this work, we present mBLIP, the first multilingual Vision-LLM, which we obtain in a computationally efficient manner -- on consumer hardware using only a few million training examples -- by leveraging a pretrained multilingual LLM. To this end, we re-align an image encoder previously tuned to an English LLM to a new, multilingual LLM -- for this, we leverage multilingual data from a mix of vision-and-language tasks, which we obtain by machine-translating high-quality English data to 95 languages. On the IGLUE benchmark, mBLIP yields results competitive with state-of-the-art models. Moreover, in image captioning on XM3600, mBLIP (zero-shot) even outperforms PaLI-X (a model with 55B parameters). Compared to these very large multilingual vision-language models trained from scratch, we obtain mBLIP by training orders of magnitude fewer parameters on magnitudes less data. We release our model and code at https://github.com/gregor-ge/mBLIP.

Stochastic Policy Gradient Methods: Improved Sample Complexity for Fisher-non-degenerate Policies

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

Rephrasing the Web: A Recipe for Compute and Data-Efficient Language Modeling

Large language models are trained on massive scrapes of the web, which are often unstructured, noisy, and poorly phrased. Current scaling laws show that learning from such data requires an abundance of both compute and data, which grows with the size of the model being trained. This is infeasible both because of the large compute costs and duration associated with pre-training, and the impending scarcity of high-quality data on the web. In this work, we propose Web Rephrase Augmented Pre-training (WRAP) that uses an off-the-shelf instruction-tuned model prompted to paraphrase documents on the web in specific styles such as "like Wikipedia" or in "question-answer format" to jointly pre-train LLMs on real and synthetic rephrases. First, we show that using WRAP on the C4 dataset, which is naturally noisy, speeds up pre-training by sim3x. At the same pre-training compute budget, it improves perplexity by more than 10% on average across different subsets of the Pile, and improves zero-shot question answer accuracy across 13 tasks by more than 2%. Second, we investigate the impact of the re-phrasing style on the performance of the model, offering insights into how the composition of the training data can impact the performance of LLMs in OOD settings. Our gains are attributed to the fact that re-phrased synthetic data has higher utility than just real data because it (i) incorporates style diversity that closely reflects downstream evaluation style, and (ii) has higher 'quality' than web-scraped data.

Fast Passage Re-ranking with Contextualized Exact Term Matching and Efficient Passage Expansion

BERT-based information retrieval models are expensive, in both time (query latency) and computational resources (energy, hardware cost), making many of these models impractical especially under resource constraints. The reliance on a query encoder that only performs tokenization and on the pre-processing of passage representations at indexing, has allowed the recently proposed TILDE method to overcome the high query latency issue typical of BERT-based models. This however is at the expense of a lower effectiveness compared to other BERT-based re-rankers and dense retrievers. In addition, the original TILDE method is characterised by indexes with a very high memory footprint, as it expands each passage into the size of the BERT vocabulary. In this paper, we propose TILDEv2, a new model that stems from the original TILDE but that addresses its limitations. TILDEv2 relies on contextualized exact term matching with expanded passages. This requires to only store in the index the score of tokens that appear in the expanded passages (rather than all the vocabulary), thus producing indexes that are 99% smaller than those of TILDE. This matching mechanism also improves ranking effectiveness by 24%, without adding to the query latency. This makes TILDEv2 the state-of-the-art passage re-ranking method for CPU-only environments, capable of maintaining query latency below 100ms on commodity hardware.

How Does Generative Retrieval Scale to Millions of Passages?

Popularized by the Differentiable Search Index, the emerging paradigm of generative retrieval re-frames the classic information retrieval problem into a sequence-to-sequence modeling task, forgoing external indices and encoding an entire document corpus within a single Transformer. Although many different approaches have been proposed to improve the effectiveness of generative retrieval, they have only been evaluated on document corpora on the order of 100k in size. We conduct the first empirical study of generative retrieval techniques across various corpus scales, ultimately scaling up to the entire MS MARCO passage ranking task with a corpus of 8.8M passages and evaluating model sizes up to 11B parameters. We uncover several findings about scaling generative retrieval to millions of passages; notably, the central importance of using synthetic queries as document representations during indexing, the ineffectiveness of existing proposed architecture modifications when accounting for compute cost, and the limits of naively scaling model parameters with respect to retrieval performance. While we find that generative retrieval is competitive with state-of-the-art dual encoders on small corpora, scaling to millions of passages remains an important and unsolved challenge. We believe these findings will be valuable for the community to clarify the current state of generative retrieval, highlight the unique challenges, and inspire new research directions.

Doing More with Less -- Implementing Routing Strategies in Large Language Model-Based Systems: An Extended Survey

Large Language Models (LLM)-based systems, i.e. interconnected elements that include an LLM as a central component (e.g., conversational agents), are typically monolithic static architectures that rely on a single LLM for all user queries. However, they often require different preprocessing strategies, levels of reasoning, or knowledge. Generalist LLMs (i.e. GPT-4), trained on very large multi-topic corpora, can perform well in a variety of tasks. However, they require significant financial, energy, and hardware resources that may not be justified for basic tasks. This implies potentially investing in unnecessary costs for a given query. To overcome this problem, a routing mechanism routes user queries to the most suitable components, such as smaller LLMs or experts in specific topics. This approach may improve response quality while minimising costs. Routing can be expanded to other components of the conversational agent architecture, such as the selection of optimal embedding strategies. This paper explores key considerations for integrating routing into LLM-based systems, focusing on resource management, cost definition, and strategy selection. Our main contributions include a formalisation of the problem, a novel taxonomy of existing approaches emphasising relevance and resource efficiency, and a comparative analysis of these strategies in relation to industry practices. Finally, we identify critical challenges and directions for future research.

Efficient Nearest Neighbor Search for Cross-Encoder Models using Matrix Factorization

Efficient k-nearest neighbor search is a fundamental task, foundational for many problems in NLP. When the similarity is measured by dot-product between dual-encoder vectors or ell_2-distance, there already exist many scalable and efficient search methods. But not so when similarity is measured by more accurate and expensive black-box neural similarity models, such as cross-encoders, which jointly encode the query and candidate neighbor. The cross-encoders' high computational cost typically limits their use to reranking candidates retrieved by a cheaper model, such as dual encoder or TF-IDF. However, the accuracy of such a two-stage approach is upper-bounded by the recall of the initial candidate set, and potentially requires additional training to align the auxiliary retrieval model with the cross-encoder model. In this paper, we present an approach that avoids the use of a dual-encoder for retrieval, relying solely on the cross-encoder. Retrieval is made efficient with CUR decomposition, a matrix decomposition approach that approximates all pairwise cross-encoder distances from a small subset of rows and columns of the distance matrix. Indexing items using our approach is computationally cheaper than training an auxiliary dual-encoder model through distillation. Empirically, for k > 10, our approach provides test-time recall-vs-computational cost trade-offs superior to the current widely-used methods that re-rank items retrieved using a dual-encoder or TF-IDF.

Scattered or Connected? An Optimized Parameter-efficient Tuning Approach for Information Retrieval

Pre-training and fine-tuning have achieved significant advances in the information retrieval (IR). A typical approach is to fine-tune all the parameters of large-scale pre-trained models (PTMs) on downstream tasks. As the model size and the number of tasks increase greatly, such approach becomes less feasible and prohibitively expensive. Recently, a variety of parameter-efficient tuning methods have been proposed in natural language processing (NLP) that only fine-tune a small number of parameters while still attaining strong performance. Yet there has been little effort to explore parameter-efficient tuning for IR. In this work, we first conduct a comprehensive study of existing parameter-efficient tuning methods at both the retrieval and re-ranking stages. Unlike the promising results in NLP, we find that these methods cannot achieve comparable performance to full fine-tuning at both stages when updating less than 1\% of the original model parameters. More importantly, we find that the existing methods are just parameter-efficient, but not learning-efficient as they suffer from unstable training and slow convergence. To analyze the underlying reason, we conduct a theoretical analysis and show that the separation of the inserted trainable modules makes the optimization difficult. To alleviate this issue, we propose to inject additional modules alongside the PTM to make the original scattered modules connected. In this way, all the trainable modules can form a pathway to smooth the loss surface and thus help stabilize the training process. Experiments at both retrieval and re-ranking stages show that our method outperforms existing parameter-efficient methods significantly, and achieves comparable or even better performance over full fine-tuning.

Dynamic Sparse Learning: A Novel Paradigm for Efficient Recommendation

In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold: reducing the model size while effectively learning user and item representations for efficient recommendations. Despite considerable advancements in model compression and architecture search, prevalent approaches face notable constraints. These include substantial additional computational costs from pre-training/re-training in model compression and an extensive search space in architecture design. Additionally, managing complexity and adhering to memory constraints is problematic, especially in scenarios with strict time or space limitations. Addressing these issues, this paper introduces a novel learning paradigm, Dynamic Sparse Learning (DSL), tailored for recommendation models. DSL innovatively trains a lightweight sparse model from scratch, periodically evaluating and dynamically adjusting each weight's significance and the model's sparsity distribution during the training. This approach ensures a consistent and minimal parameter budget throughout the full learning lifecycle, paving the way for "end-to-end" efficiency from training to inference. Our extensive experimental results underline DSL's effectiveness, significantly reducing training and inference costs while delivering comparable recommendation performance.

On the Provable Advantage of Unsupervised Pretraining

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Optimizing Distributed Training on Frontier for Large Language Models

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

Challenges in Deploying Long-Context Transformers: A Theoretical Peak Performance Analysis

Transformer-based long context generative models power emerging AI applications like hour-long video understanding and project-level coding agent. Deploying long context transformers (e.g., 100K to 10M tokens) is prohibitively expensive compared to short context (e.g., 4K tokens) model variants. Reducing the cost of long-context transformers is becoming a pressing research and engineering challenge starting from the year of 2024. This work describes a concurrent programming framework for quantitatively analyzing the efficiency challenges in serving multiple long-context requests under limited size of GPU high-bandwidth memory (HBM) regime. We give a detailed analysis of how all additional computational costs, compared to 4K context, trace back to one single source: the large size of the KV cache. We use a 34B GPT-3.5 level model of 50K context on A100 NVLink as a running example, and describe how its large KV cache causes four types of deployment challenges: (1) prefilling long inputs takes much longer compute time and GPU memory than short inputs; (2) after prefilling, the large KV cache residing on the GPU HBM substantially restricts the number of concurrent users being served; (3) during decoding, repeatedly reading the KV cache from HBM to SM largely increases latency; (4) when KV cache memory overflows, swapping it from HBM to DDR causes significant context switching latency. We use this framework to analyze existing works and identify possibilities of combining them to build end-to-end systems. Overall, this work offers a foundational framework for analyzing long context transformer deployment and identifies directions towards reducing the inference cost of 1M context to be as cheap as 4K.

Planning In Natural Language Improves LLM Search For Code Generation

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs, leading to inefficient search due to models repeatedly sampling highly similar, yet incorrect generations. We empirically demonstrate that this lack of diversity can be mitigated by searching over candidate plans for solving a problem in natural language. Based on this insight, we propose PLANSEARCH, a novel search algorithm which shows strong results across HumanEval+, MBPP+, and LiveCodeBench (a contamination-free benchmark for competitive coding). PLANSEARCH generates a diverse set of observations about the problem and then uses these observations to construct plans for solving the problem. By searching over plans in natural language rather than directly over code solutions, PLANSEARCH explores a significantly more diverse range of potential solutions compared to baseline search methods. Using PLANSEARCH on top of Claude 3.5 Sonnet achieves a state-of-the-art pass@200 of 77.0% on LiveCodeBench, outperforming both the best score achieved without search (pass@1 = 41.4%) and using standard repeated sampling (pass@200 = 60.6%). Finally, we show that, across all models, search algorithms, and benchmarks analyzed, we can accurately predict performance gains due to search as a direct function of the diversity over generated ideas.

Predictable Scale: Part I -- Optimal Hyperparameter Scaling Law in Large Language Model Pretraining

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

How to Capture Higher-order Correlations? Generalizing Matrix Softmax Attention to Kronecker Computation

In the classical transformer attention scheme, we are given three n times d size matrices Q, K, V (the query, key, and value tokens), and the goal is to compute a new n times d size matrix D^{-1} exp(QK^top) V where D = diag( exp(QK^top) {bf 1}_n ). In this work, we study a generalization of attention which captures triple-wise correlations. This generalization is able to solve problems about detecting triple-wise connections that were shown to be impossible for transformers. The potential downside of this generalization is that it appears as though computations are even more difficult, since the straightforward algorithm requires cubic time in n. However, we show that in the bounded-entry setting (which arises in practice, and which is well-studied in both theory and practice), there is actually a near-linear time algorithm. More precisely, we show that bounded entries are both necessary and sufficient for quickly performing generalized computations: bullet On the positive side, if all entries of the input matrices are bounded above by o(sqrt[3]{log n}) then we show how to approximate the ``tensor-type'' attention matrix in n^{1+o(1)} time. bullet On the negative side, we show that if the entries of the input matrices may be as large as Omega(sqrt[3]{log n}), then there is no algorithm that runs faster than n^{3-o(1)} (assuming the Strong Exponential Time Hypothesis from fine-grained complexity theory). We also show that our construction, algorithms, and lower bounds naturally generalize to higher-order tensors and correlations. Interestingly, the higher the order of the tensors, the lower the bound on the entries needs to be for an efficient algorithm. Our results thus yield a natural tradeoff between the boundedness of the entries, and order of the tensor one may use for more expressive, efficient attention computation.

BRIGHT: A Realistic and Challenging Benchmark for Reasoning-Intensive Retrieval

Existing retrieval benchmarks primarily consist of information-seeking queries (e.g., aggregated questions from search engines) where keyword or semantic-based retrieval is usually sufficient. However, many complex real-world queries require in-depth reasoning to identify relevant documents that go beyond surface form matching. For example, finding documentation for a coding question requires understanding the logic and syntax of the functions involved. To better benchmark retrieval on such challenging queries, we introduce BRIGHT, the first text retrieval benchmark that requires intensive reasoning to retrieve relevant documents. BRIGHT is constructed from the 1,398 real-world queries collected from diverse domains (such as economics, psychology, robotics, software engineering, earth sciences, etc.), sourced from naturally occurring or carefully curated human data. Extensive evaluation reveals that even state-of-the-art retrieval models perform poorly on BRIGHT. The leading model on the MTEB leaderboard [38 ], which achieves a score of 59.0 nDCG@10,2 produces a score of nDCG@10 of 18.0 on BRIGHT. We further demonstrate that augmenting queries with Chain-of-Thought reasoning generated by large language models (LLMs) improves performance by up to 12.2 points. Moreover, BRIGHT is robust against data leakage during pretraining of the benchmarked models as we validate by showing similar performance even when documents from the benchmark are included in the training data. We believe that BRIGHT paves the way for future research on retrieval systems in more realistic and challenging settings. Our code and data are available at https://brightbenchmark.github.io.

Scaling Retrieval-Based Language Models with a Trillion-Token Datastore

Scaling laws with respect to the amount of training data and the number of parameters allow us to predict the cost-benefit trade-offs of pretraining language models (LMs) in different configurations. In this paper, we consider another dimension of scaling: the amount of data available at inference time. Specifically, we find that increasing the size of the datastore used by a retrieval-based LM monotonically improves language modeling and several downstream tasks without obvious saturation, such that a smaller model augmented with a large datastore outperforms a larger LM-only model on knowledge-intensive tasks. By plotting compute-optimal scaling curves with varied datastore, model, and pretraining data sizes, we show that using larger datastores can significantly improve model performance for the same training compute budget. We carry out our study by constructing a 1.4 trillion-token datastore named MassiveDS, which is the largest and the most diverse open-sourced datastore for retrieval-based LMs to date, and designing an efficient pipeline for studying datastore scaling in a computationally accessible manner. Finally, we analyze the effect of improving the retriever, datastore quality filtering, and other design choices on our observed scaling trends. Overall, our results show that datastore size should be considered as an integral part of LM efficiency and performance trade-offs. To facilitate future research, we open-source our datastore and code at https://github.com/RulinShao/retrieval-scaling.

ThinK: Thinner Key Cache by Query-Driven Pruning

Large Language Models (LLMs) have revolutionized the field of natural language processing, achieving unprecedented performance across a variety of applications by leveraging increased model sizes and sequence lengths. However, the associated rise in computational and memory costs poses significant challenges, particularly in managing long sequences due to the quadratic complexity of the transformer attention mechanism. This paper focuses on the long-context scenario, addressing the inefficiencies in KV cache memory consumption during inference. Unlike existing approaches that optimize the memory based on the sequence lengths, we uncover that the channel dimension of the KV cache exhibits significant redundancy, characterized by unbalanced magnitude distribution and low-rank structure in attention weights. Based on these observations, we propose ThinK, a novel query-dependent KV cache pruning method designed to minimize attention weight loss while selectively pruning the least significant channels. Our approach not only maintains or enhances model accuracy but also achieves a reduction in memory costs by over 20% compared with vanilla KV cache eviction methods. Extensive evaluations on the LLaMA3 and Mistral models across various long-sequence datasets confirm the efficacy of ThinK, setting a new precedent for efficient LLM deployment without compromising performance. We also outline the potential of extending our method to value cache pruning, demonstrating ThinK's versatility and broad applicability in reducing both memory and computational overheads.

Duo-LLM: A Framework for Studying Adaptive Computation in Large Language Models

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

CFSP: An Efficient Structured Pruning Framework for LLMs with Coarse-to-Fine Activation Information

The colossal parameters and computational overhead of Large Language Models (LLMs) challenge their real-world applications. Network pruning, which targets unstructured or structured sparsity by removing redundant parameters, has recently been explored for LLM acceleration. Existing LLM pruning works focus on unstructured pruning, which typically requires special hardware support for a practical speed-up. In contrast, structured pruning can reduce latency on general devices. However, it remains a challenge to perform structured pruning efficiently and maintain performance, especially at high sparsity ratios. To this end, we introduce an efficient structured pruning framework named CFSP, which leverages both Coarse (interblock) and Fine-grained (intrablock) activation information as an importance criterion to guide pruning. The pruning is highly efficient, as it only requires one forward pass to compute feature activations. Specifically, we first allocate the sparsity budget across blocks based on their importance and then retain important weights within each block. In addition, we introduce a recovery fine-tuning strategy that adaptively allocates training overhead based on coarse-grained importance to further improve performance. Experimental results demonstrate that CFSP outperforms existing methods on diverse models across various sparsity budgets. Our code will be available at https://github.com/wyxscir/CFSP.

Transcending Scaling Laws with 0.1% Extra Compute

Scaling language models improves performance but comes with significant computational costs. This paper proposes UL2R, a method that substantially improves existing language models and their scaling curves with a relatively tiny amount of extra compute. The key idea is to continue training a state-of-the-art large language model (e.g., PaLM) on a few more steps with UL2's mixture-of-denoiser objective. We show that, with almost negligible extra computational costs and no new sources of data, we are able to substantially improve the scaling properties of large language models on downstream metrics. In this paper, we continue training PaLM with UL2R, introducing a new set of models at 8B, 62B, and 540B scale which we call U-PaLM. Impressively, at 540B scale, we show an approximately 2x computational savings rate where U-PaLM achieves the same performance as the final PaLM 540B model at around half its computational budget (i.e., saving sim4.4 million TPUv4 hours). We further show that this improved scaling curve leads to 'emergent abilities' on challenging BIG-Bench tasks -- for instance, U-PaLM does much better than PaLM on some tasks or demonstrates better quality at much smaller scale (62B as opposed to 540B). Overall, we show that U-PaLM outperforms PaLM on many few-shot setups, i.e., English NLP tasks (e.g., commonsense reasoning, question answering), reasoning tasks with chain-of-thought (e.g., GSM8K), multilingual tasks (MGSM, TydiQA), MMLU and challenging BIG-Bench tasks. Finally, we provide qualitative examples showing the new capabilities of U-PaLM for single and multi-span infilling.

Greenformers: Improving Computation and Memory Efficiency in Transformer Models via Low-Rank Approximation

In this thesis, we introduce Greenformers, a collection of model efficiency methods to improve the model efficiency of the recently renowned transformer models with a low-rank approximation approach. The development trend of deep learning models tends to results in a more complex and larger model. Although it leads to a better and more accurate prediction, the resulting model becomes even more costly, as it requires weeks of training with a huge amount of GPU resources. Particularly, the size and computational cost of transformer-based models have increased tremendously since its first debut in 2017 from ~100 million parameters up to ~1.6 trillion parameters in early 2021. This computationally hungry model also incurs a substantial cost to the environment and even reaches an alarming level of carbon footprint. Some of these models are so massive that it is even impossible to run the model without a GPU cluster. Greenformers improve the model efficiency of transformer models by applying low-rank approximation approaches. Specifically, we propose a low-rank factorization approach to improve the efficiency of the transformer model called Low-Rank Transformer. We further compare our model with an existing low-rank factorization approach called Linformer. Based on our analysis, the Low-Rank Transformer model is suitable for improving both the time and memory efficiency in processing short-sequence (<= 512) input data, while the Linformer model is suitable for improving the efficiency in processing long-sequence input data (>= 512). We also show that Low-Rank Transformer is more suitable for on-device deployment, as it significantly reduces the model size. Additionally, we estimate that applying LRT to the existing BERT-base model can significantly reduce the computational, economical, and environmental costs for developing such models by more than 30% of its original costs.

DART-Math: Difficulty-Aware Rejection Tuning for Mathematical Problem-Solving

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Rethinking Large Language Model Architectures for Sequential Recommendations

Recently, sequential recommendation has been adapted to the LLM paradigm to enjoy the power of LLMs. LLM-based methods usually formulate recommendation information into natural language and the model is trained to predict the next item in an auto-regressive manner. Despite their notable success, the substantial computational overhead of inference poses a significant obstacle to their real-world applicability. In this work, we endeavor to streamline existing LLM-based recommendation models and propose a simple yet highly effective model Lite-LLM4Rec. The primary goal of Lite-LLM4Rec is to achieve efficient inference for the sequential recommendation task. Lite-LLM4Rec circumvents the beam search decoding by using a straight item projection head for ranking scores generation. This design stems from our empirical observation that beam search decoding is ultimately unnecessary for sequential recommendations. Additionally, Lite-LLM4Rec introduces a hierarchical LLM structure tailored to efficiently handle the extensive contextual information associated with items, thereby reducing computational overhead while enjoying the capabilities of LLMs. Experiments on three publicly available datasets corroborate the effectiveness of Lite-LLM4Rec in both performance and inference efficiency (notably 46.8% performance improvement and 97.28% efficiency improvement on ML-1m) over existing LLM-based methods. Our implementations will be open sourced.

HyperAttention: Long-context Attention in Near-Linear Time

We present an approximate attention mechanism named HyperAttention to address the computational challenges posed by the growing complexity of long contexts used in Large Language Models (LLMs). Recent work suggests that in the worst-case scenario, quadratic time is necessary unless the entries of the attention matrix are bounded or the matrix has low stable rank. We introduce two parameters which measure: (1) the max column norm in the normalized attention matrix, and (2) the ratio of row norms in the unnormalized attention matrix after detecting and removing large entries. We use these fine-grained parameters to capture the hardness of the problem. Despite previous lower bounds, we are able to achieve a linear time sampling algorithm even when the matrix has unbounded entries or a large stable rank, provided the above parameters are small. HyperAttention features a modular design that easily accommodates integration of other fast low-level implementations, particularly FlashAttention. Empirically, employing Locality Sensitive Hashing (LSH) to identify large entries, HyperAttention outperforms existing methods, giving significant speed improvements compared to state-of-the-art solutions like FlashAttention. We validate the empirical performance of HyperAttention on a variety of different long-context length datasets. For example, HyperAttention makes the inference time of ChatGLM2 50\% faster on 32k context length while perplexity increases from 5.6 to 6.3. On larger context length, e.g., 131k, with causal masking, HyperAttention offers 5-fold speedup on a single attention layer.

RetrievalAttention: Accelerating Long-Context LLM Inference via Vector Retrieval

Transformer-based large Language Models (LLMs) become increasingly important in various domains. However, the quadratic time complexity of attention operation poses a significant challenge for scaling to longer contexts due to the extremely high inference latency and GPU memory consumption for caching key-value (KV) vectors. This paper proposes RetrievalAttention, a training-free approach to accelerate attention computation. To leverage the dynamic sparse property of attention, RetrievalAttention builds approximate nearest neighbor search (ANNS) indexes upon KV vectors in CPU memory and retrieves the most relevant ones via vector search during generation. Due to the out-of-distribution (OOD) between query vectors and key vectors, off-the-shelf ANNS indexes still need to scan O(N) (usually 30% of all keys) data for accurate retrieval, which fails to exploit the high sparsity. RetrievalAttention first identifies the OOD challenge of ANNS-based attention, and addresses it via an attention-aware vector search algorithm that can adapt to queries and only access 1--3% of data, thus achieving a sub-linear time complexity. RetrievalAttention greatly reduces the inference cost of long-context LLM with much lower GPU memory requirements while maintaining the model accuracy. Especially, RetrievalAttention only needs 16GB GPU memory for serving 128K tokens in LLMs with 8B parameters, which is capable of generating one token in 0.188 seconds on a single NVIDIA RTX4090 (24GB).

Unified Functional Hashing in Automatic Machine Learning

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

Dissecting the Runtime Performance of the Training, Fine-tuning, and Inference of Large Language Models

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and deploying LLMs are expensive as it requires considerable computing resources and memory, hence many efficient approaches have been developed for improving system pipelines as well as operators. However, the runtime performance can vary significantly across hardware and software stacks, which makes it difficult to choose the best configuration. In this work, we aim to benchmark the performance from both macro and micro perspectives. First, we benchmark the end-to-end performance of pre-training, fine-tuning, and serving LLMs in different sizes , i.e., 7, 13, and 70 billion parameters (7B, 13B, and 70B) on three 8-GPU platforms with and without individual optimization techniques, including ZeRO, quantization, recomputation, FlashAttention. Then, we dive deeper to provide a detailed runtime analysis of the sub-modules, including computing and communication operators in LLMs. For end users, our benchmark and findings help better understand different optimization techniques, training and inference frameworks, together with hardware platforms in choosing configurations for deploying LLMs. For researchers, our in-depth module-wise analyses discover potential opportunities for future work to further optimize the runtime performance of LLMs.

OpenMedLM: Prompt engineering can out-perform fine-tuning in medical question-answering with open-source large language models

LLMs have become increasingly capable at accomplishing a range of specialized-tasks and can be utilized to expand equitable access to medical knowledge. Most medical LLMs have involved extensive fine-tuning, leveraging specialized medical data and significant, thus costly, amounts of computational power. Many of the top performing LLMs are proprietary and their access is limited to very few research groups. However, open-source (OS) models represent a key area of growth for medical LLMs due to significant improvements in performance and an inherent ability to provide the transparency and compliance required in healthcare. We present OpenMedLM, a prompting platform which delivers state-of-the-art (SOTA) performance for OS LLMs on medical benchmarks. We evaluated a range of OS foundation LLMs (7B-70B) on four medical benchmarks (MedQA, MedMCQA, PubMedQA, MMLU medical-subset). We employed a series of prompting strategies, including zero-shot, few-shot, chain-of-thought (random selection and kNN selection), and ensemble/self-consistency voting. We found that OpenMedLM delivers OS SOTA results on three common medical LLM benchmarks, surpassing the previous best performing OS models that leveraged computationally costly extensive fine-tuning. The model delivers a 72.6% accuracy on the MedQA benchmark, outperforming the previous SOTA by 2.4%, and achieves 81.7% accuracy on the MMLU medical-subset, establishing itself as the first OS LLM to surpass 80% accuracy on this benchmark. Our results highlight medical-specific emergent properties in OS LLMs which have not yet been documented to date elsewhere, and showcase the benefits of further leveraging prompt engineering to improve the performance of accessible LLMs for medical applications.

Scaling Laws for Data Filtering -- Data Curation cannot be Compute Agnostic

Vision-language models (VLMs) are trained for thousands of GPU hours on carefully curated web datasets. In recent times, data curation has gained prominence with several works developing strategies to retain 'high-quality' subsets of 'raw' scraped data. For instance, the LAION public dataset retained only 10% of the total crawled data. However, these strategies are typically developed agnostic of the available compute for training. In this paper, we first demonstrate that making filtering decisions independent of training compute is often suboptimal: the limited high-quality data rapidly loses its utility when repeated, eventually requiring the inclusion of 'unseen' but 'lower-quality' data. To address this quality-quantity tradeoff (QQT), we introduce neural scaling laws that account for the non-homogeneous nature of web data, an angle ignored in existing literature. Our scaling laws (i) characterize the differing 'utility' of various quality subsets of web data; (ii) account for how utility diminishes for a data point at its 'nth' repetition; and (iii) formulate the mutual interaction of various data pools when combined, enabling the estimation of model performance on a combination of multiple data pools without ever jointly training on them. Our key message is that data curation cannot be agnostic of the total compute that a model will be trained for. Our scaling laws allow us to curate the best possible pool for achieving top performance on Datacomp at various compute budgets, carving out a pareto-frontier for data curation. Code is available at https://github.com/locuslab/scaling_laws_data_filtering.

Improving Retrieval-Augmented Large Language Models via Data Importance Learning

Retrieval augmentation enables large language models to take advantage of external knowledge, for example on tasks like question answering and data imputation. However, the performance of such retrieval-augmented models is limited by the data quality of their underlying retrieval corpus. In this paper, we propose an algorithm based on multilinear extension for evaluating the data importance of retrieved data points. There are exponentially many terms in the multilinear extension, and one key contribution of this paper is a polynomial time algorithm that computes exactly, given a retrieval-augmented model with an additive utility function and a validation set, the data importance of data points in the retrieval corpus using the multilinear extension of the model's utility function. We further proposed an even more efficient ({\epsilon}, {\delta})-approximation algorithm. Our experimental results illustrate that we can enhance the performance of large language models by only pruning or reweighting the retrieval corpus, without requiring further training. For some tasks, this even allows a small model (e.g., GPT-JT), augmented with a search engine API, to outperform GPT-3.5 (without retrieval augmentation). Moreover, we show that weights based on multilinear extension can be computed efficiently in practice (e.g., in less than ten minutes for a corpus with 100 million elements).

Towards Efficient Fine-tuning of Pre-trained Code Models: An Experimental Study and Beyond

Recently, fine-tuning pre-trained code models such as CodeBERT on downstream tasks has achieved great success in many software testing and analysis tasks. While effective and prevalent, fine-tuning the pre-trained parameters incurs a large computational cost. In this paper, we conduct an extensive experimental study to explore what happens to layer-wise pre-trained representations and their encoded code knowledge during fine-tuning. We then propose efficient alternatives to fine-tune the large pre-trained code model based on the above findings. Our experimental study shows that (1) lexical, syntactic and structural properties of source code are encoded in the lower, intermediate, and higher layers, respectively, while the semantic property spans across the entire model. (2) The process of fine-tuning preserves most of the code properties. Specifically, the basic code properties captured by lower and intermediate layers are still preserved during fine-tuning. Furthermore, we find that only the representations of the top two layers change most during fine-tuning for various downstream tasks. (3) Based on the above findings, we propose Telly to efficiently fine-tune pre-trained code models via layer freezing. The extensive experimental results on five various downstream tasks demonstrate that training parameters and the corresponding time cost are greatly reduced, while performances are similar or better. Replication package including source code, datasets, and online Appendix is available at: https://github.com/DeepSoftwareAnalytics/Telly.

ScalingNote: Scaling up Retrievers with Large Language Models for Real-World Dense Retrieval

Dense retrieval in most industries employs dual-tower architectures to retrieve query-relevant documents. Due to online deployment requirements, existing real-world dense retrieval systems mainly enhance performance by designing negative sampling strategies, overlooking the advantages of scaling up. Recently, Large Language Models (LLMs) have exhibited superior performance that can be leveraged for scaling up dense retrieval. However, scaling up retrieval models significantly increases online query latency. To address this challenge, we propose ScalingNote, a two-stage method to exploit the scaling potential of LLMs for retrieval while maintaining online query latency. The first stage is training dual towers, both initialized from the same LLM, to unlock the potential of LLMs for dense retrieval. Then, we distill only the query tower using mean squared error loss and cosine similarity to reduce online costs. Through theoretical analysis and comprehensive offline and online experiments, we show the effectiveness and efficiency of ScalingNote. Our two-stage scaling method outperforms end-to-end models and verifies the scaling law of dense retrieval with LLMs in industrial scenarios, enabling cost-effective scaling of dense retrieval systems. Our online method incorporating ScalingNote significantly enhances the relevance between retrieved documents and queries.

Model Compression and Efficient Inference for Large Language Models: A Survey

Transformer based large language models have achieved tremendous success. However, the significant memory and computational costs incurred during the inference process make it challenging to deploy large models on resource-constrained devices. In this paper, we investigate compression and efficient inference methods for large language models from an algorithmic perspective. Regarding taxonomy, similar to smaller models, compression and acceleration algorithms for large language models can still be categorized into quantization, pruning, distillation, compact architecture design, dynamic networks. However, Large language models have two prominent characteristics compared to smaller models: (1) Most of compression algorithms require finetuning or even retraining the model after compression. The most notable aspect of large models is the very high cost associated with model finetuning or training. Therefore, many algorithms for large models, such as quantization and pruning, start to explore tuning-free algorithms. (2) Large models emphasize versatility and generalization rather than performance on a single task. Hence, many algorithms, such as knowledge distillation, focus on how to preserving their versatility and generalization after compression. Since these two characteristics were not very pronounced in early large models, we further distinguish large language models into medium models and ``real'' large models. Additionally, we also provide an introduction to some mature frameworks for efficient inference of large models, which can support basic compression or acceleration algorithms, greatly facilitating model deployment for users.

Inference Scaling for Long-Context Retrieval Augmented Generation

The scaling of inference computation has unlocked the potential of long-context large language models (LLMs) across diverse settings. For knowledge-intensive tasks, the increased compute is often allocated to incorporate more external knowledge. However, without effectively utilizing such knowledge, solely expanding context does not always enhance performance. In this work, we investigate inference scaling for retrieval augmented generation (RAG), exploring strategies beyond simply increasing the quantity of knowledge. We focus on two inference scaling strategies: in-context learning and iterative prompting. These strategies provide additional flexibility to scale test-time computation (e.g., by increasing retrieved documents or generation steps), thereby enhancing LLMs' ability to effectively acquire and utilize contextual information. We address two key questions: (1) How does RAG performance benefit from the scaling of inference computation when optimally configured? (2) Can we predict the optimal test-time compute allocation for a given budget by modeling the relationship between RAG performance and inference parameters? Our observations reveal that increasing inference computation leads to nearly linear gains in RAG performance when optimally allocated, a relationship we describe as the inference scaling laws for RAG. Building on this, we further develop the computation allocation model to estimate RAG performance across different inference configurations. The model predicts optimal inference parameters under various computation constraints, which align closely with the experimental results. By applying these optimal configurations, we demonstrate that scaling inference compute on long-context LLMs achieves up to 58.9% gains on benchmark datasets compared to standard RAG.

Progressively Optimized Bi-Granular Document Representation for Scalable Embedding Based Retrieval

Ad-hoc search calls for the selection of appropriate answers from a massive-scale corpus. Nowadays, the embedding-based retrieval (EBR) becomes a promising solution, where deep learning based document representation and ANN search techniques are allied to handle this task. However, a major challenge is that the ANN index can be too large to fit into memory, given the considerable size of answer corpus. In this work, we tackle this problem with Bi-Granular Document Representation, where the lightweight sparse embeddings are indexed and standby in memory for coarse-grained candidate search, and the heavyweight dense embeddings are hosted in disk for fine-grained post verification. For the best of retrieval accuracy, a Progressive Optimization framework is designed. The sparse embeddings are learned ahead for high-quality search of candidates. Conditioned on the candidate distribution induced by the sparse embeddings, the dense embeddings are continuously learned to optimize the discrimination of ground-truth from the shortlisted candidates. Besides, two techniques: the contrastive quantization and the locality-centric sampling are introduced for the learning of sparse and dense embeddings, which substantially contribute to their performances. Thanks to the above features, our method effectively handles massive-scale EBR with strong advantages in accuracy: with up to +4.3% recall gain on million-scale corpus, and up to +17.5% recall gain on billion-scale corpus. Besides, Our method is applied to a major sponsored search platform with substantial gains on revenue (+1.95%), Recall (+1.01%) and CTR (+0.49%). Our code is available at https://github.com/microsoft/BiDR.

Scaling LLM Test-Time Compute Optimally can be More Effective than Scaling Model Parameters

Enabling LLMs to improve their outputs by using more test-time computation is a critical step towards building generally self-improving agents that can operate on open-ended natural language. In this paper, we study the scaling of inference-time computation in LLMs, with a focus on answering the question: if an LLM is allowed to use a fixed but non-trivial amount of inference-time compute, how much can it improve its performance on a challenging prompt? Answering this question has implications not only on the achievable performance of LLMs, but also on the future of LLM pretraining and how one should tradeoff inference-time and pre-training compute. Despite its importance, little research attempted to understand the scaling behaviors of various test-time inference methods. Moreover, current work largely provides negative results for a number of these strategies. In this work, we analyze two primary mechanisms to scale test-time computation: (1) searching against dense, process-based verifier reward models; and (2) updating the model's distribution over a response adaptively, given the prompt at test time. We find that in both cases, the effectiveness of different approaches to scaling test-time compute critically varies depending on the difficulty of the prompt. This observation motivates applying a "compute-optimal" scaling strategy, which acts to most effectively allocate test-time compute adaptively per prompt. Using this compute-optimal strategy, we can improve the efficiency of test-time compute scaling by more than 4x compared to a best-of-N baseline. Additionally, in a FLOPs-matched evaluation, we find that on problems where a smaller base model attains somewhat non-trivial success rates, test-time compute can be used to outperform a 14x larger model.

Beyond Efficiency: A Systematic Survey of Resource-Efficient Large Language Models

The burgeoning field of Large Language Models (LLMs), exemplified by sophisticated models like OpenAI's ChatGPT, represents a significant advancement in artificial intelligence. These models, however, bring forth substantial challenges in the high consumption of computational, memory, energy, and financial resources, especially in environments with limited resource capabilities. This survey aims to systematically address these challenges by reviewing a broad spectrum of techniques designed to enhance the resource efficiency of LLMs. We categorize methods based on their optimization focus: computational, memory, energy, financial, and network resources and their applicability across various stages of an LLM's lifecycle, including architecture design, pretraining, finetuning, and system design. Additionally, the survey introduces a nuanced categorization of resource efficiency techniques by their specific resource types, which uncovers the intricate relationships and mappings between various resources and corresponding optimization techniques. A standardized set of evaluation metrics and datasets is also presented to facilitate consistent and fair comparisons across different models and techniques. By offering a comprehensive overview of the current sota and identifying open research avenues, this survey serves as a foundational reference for researchers and practitioners, aiding them in developing more sustainable and efficient LLMs in a rapidly evolving landscape.

Long-Context Inference with Retrieval-Augmented Speculative Decoding

The emergence of long-context large language models (LLMs) offers a promising alternative to traditional retrieval-augmented generation (RAG) for processing extensive documents. However, the computational overhead of long-context inference, particularly in managing key-value (KV) caches, presents significant efficiency challenges. While Speculative Decoding (SD) traditionally accelerates inference using smaller draft models, its effectiveness diminishes substantially in long-context scenarios due to memory-bound KV cache operations. We present Retrieval-Augmented Speculative Decoding (RAPID), which leverages RAG for both accelerating and enhancing generation quality in long-context inference. RAPID introduces the RAG drafter-a draft LLM operating on shortened retrieval contexts-to speculate on the generation of long-context target LLMs. Our approach enables a new paradigm where same-scale or even larger LLMs can serve as RAG drafters while maintaining computational efficiency. To fully leverage the potentially superior capabilities from stronger RAG drafters, we develop an inference-time knowledge transfer dynamic that enriches the target distribution by RAG. Extensive experiments on the LLaMA-3.1 and Qwen2.5 backbones demonstrate that RAPID effectively integrates the strengths of both approaches, achieving significant performance improvements (e.g., from 39.33 to 42.83 on InfiniteBench for LLaMA-3.1-8B) with more than 2x speedups. Our analyses reveal that RAPID achieves robust acceleration beyond 32K context length and demonstrates superior generation quality in real-world applications.

Fine Tuning LLM for Enterprise: Practical Guidelines and Recommendations

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

Autoregressive Search Engines: Generating Substrings as Document Identifiers

Knowledge-intensive language tasks require NLP systems to both provide the correct answer and retrieve supporting evidence for it in a given corpus. Autoregressive language models are emerging as the de-facto standard for generating answers, with newer and more powerful systems emerging at an astonishing pace. In this paper we argue that all this (and future) progress can be directly applied to the retrieval problem with minimal intervention to the models' architecture. Previous work has explored ways to partition the search space into hierarchical structures and retrieve documents by autoregressively generating their unique identifier. In this work we propose an alternative that doesn't force any structure in the search space: using all ngrams in a passage as its possible identifiers. This setup allows us to use an autoregressive model to generate and score distinctive ngrams, that are then mapped to full passages through an efficient data structure. Empirically, we show this not only outperforms prior autoregressive approaches but also leads to an average improvement of at least 10 points over more established retrieval solutions for passage-level retrieval on the KILT benchmark, establishing new state-of-the-art downstream performance on some datasets, while using a considerably lighter memory footprint than competing systems. Code and pre-trained models at https://github.com/facebookresearch/SEAL.

A Probabilistic Inference Approach to Inference-Time Scaling of LLMs using Particle-Based Monte Carlo Methods

Large language models (LLMs) have achieved significant performance gains via scaling up model sizes and/or data. However, recent evidence suggests diminishing returns from such approaches, motivating scaling the computation spent at inference time. Existing inference-time scaling methods, usually with reward models, cast the task as a search problem, which tends to be vulnerable to reward hacking as a consequence of approximation errors in reward models. In this paper, we instead cast inference-time scaling as a probabilistic inference task and leverage sampling-based techniques to explore the typical set of the state distribution of a state-space model with an approximate likelihood, rather than optimize for its mode directly. We propose a novel inference-time scaling approach by adapting particle-based Monte Carlo methods to this task. Our empirical evaluation demonstrates that our methods have a 4-16x better scaling rate over our deterministic search counterparts on various challenging mathematical reasoning tasks. Using our approach, we show that Qwen2.5-Math-1.5B-Instruct can surpass GPT-4o accuracy in only 4 rollouts, while Qwen2.5-Math-7B-Instruct scales to o1 level accuracy in only 32 rollouts. Our work not only presents an effective method to inference-time scaling, but also connects the rich literature in probabilistic inference with inference-time scaling of LLMs to develop more robust algorithms in future work. Code and further information is available at https://probabilistic-inference-scaling.github.io.

BARS-CTR: Open Benchmarking for Click-Through Rate Prediction

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

Intra-Document Cascading: Learning to Select Passages for Neural Document Ranking

An emerging recipe for achieving state-of-the-art effectiveness in neural document re-ranking involves utilizing large pre-trained language models - e.g., BERT - to evaluate all individual passages in the document and then aggregating the outputs by pooling or additional Transformer layers. A major drawback of this approach is high query latency due to the cost of evaluating every passage in the document with BERT. To make matters worse, this high inference cost and latency varies based on the length of the document, with longer documents requiring more time and computation. To address this challenge, we adopt an intra-document cascading strategy, which prunes passages of a candidate document using a less expensive model, called ESM, before running a scoring model that is more expensive and effective, called ETM. We found it best to train ESM (short for Efficient Student Model) via knowledge distillation from the ETM (short for Effective Teacher Model) e.g., BERT. This pruning allows us to only run the ETM model on a smaller set of passages whose size does not vary by document length. Our experiments on the MS MARCO and TREC Deep Learning Track benchmarks suggest that the proposed Intra-Document Cascaded Ranking Model (IDCM) leads to over 400% lower query latency by providing essentially the same effectiveness as the state-of-the-art BERT-based document ranking models.

Sliding Windows Are Not the End: Exploring Full Ranking with Long-Context Large Language Models

Large Language Models (LLMs) have shown exciting performance in listwise passage ranking. Due to the limited input length, existing methods often adopt the sliding window strategy. Such a strategy, though effective, is inefficient as it involves repetitive and serialized processing, which usually re-evaluates relevant passages multiple times. As a result, it incurs redundant API costs, which are proportional to the number of inference tokens. The development of long-context LLMs enables the full ranking of all passages within a single inference, avoiding redundant API costs. In this paper, we conduct a comprehensive study of long-context LLMs for ranking tasks in terms of efficiency and effectiveness. Surprisingly, our experiments reveal that full ranking with long-context LLMs can deliver superior performance in the supervised fine-tuning setting with a huge efficiency improvement. Furthermore, we identify two limitations of fine-tuning the full ranking model based on existing methods: (1) sliding window strategy fails to produce a full ranking list as a training label, and (2) the language modeling loss cannot emphasize top-ranked passage IDs in the label. To alleviate these issues, we propose a new complete listwise label construction approach and a novel importance-aware learning objective for full ranking. Experiments show the superior performance of our method over baselines. Our codes are available at https://github.com/8421BCD/fullrank.

Lets keep it simple, Using simple architectures to outperform deeper and more complex architectures

Major winning Convolutional Neural Networks (CNNs), such as AlexNet, VGGNet, ResNet, GoogleNet, include tens to hundreds of millions of parameters, which impose considerable computation and memory overhead. This limits their practical use for training, optimization and memory efficiency. On the contrary, light-weight architectures, being proposed to address this issue, mainly suffer from low accuracy. These inefficiencies mostly stem from following an ad hoc procedure. We propose a simple architecture, called SimpleNet, based on a set of designing principles, with which we empirically show, a well-crafted yet simple and reasonably deep architecture can perform on par with deeper and more complex architectures. SimpleNet provides a good tradeoff between the computation/memory efficiency and the accuracy. Our simple 13-layer architecture outperforms most of the deeper and complex architectures to date such as VGGNet, ResNet, and GoogleNet on several well-known benchmarks while having 2 to 25 times fewer number of parameters and operations. This makes it very handy for embedded systems or systems with computational and memory limitations. We achieved state-of-the-art result on CIFAR10 outperforming several heavier architectures, near state of the art on MNIST and competitive results on CIFAR100 and SVHN. We also outperformed the much larger and deeper architectures such as VGGNet and popular variants of ResNets among others on the ImageNet dataset. Models are made available at: https://github.com/Coderx7/SimpleNet

On the Efficiency of Convolutional Neural Networks

Since the breakthrough performance of AlexNet in 2012, convolutional neural networks (convnets) have grown into extremely powerful vision models. Deep learning researchers have used convnets to perform vision tasks with accuracy that was unachievable a decade ago. Confronted with the immense computation that convnets use, deep learning researchers also became interested in efficiency. However, the engineers who deployed efficient convnets soon realized that they were slower than the previous generation, despite using fewer operations. Many reverted to older models that ran faster. Hence researchers switched the objective of their search from arithmetic complexity to latency and produced a new wave of models that performed better. Paradoxically, these models also used more operations. Skepticism grew among researchers and engineers alike about the relevance of arithmetic complexity. Contrary to the prevailing view that latency and arithmetic complexity are irreconcilable, a simple formula relates both through computational efficiency. This insight enabled us to co-optimize the separate factors that determine latency. We observed that the degenerate conv2d layers that produce the best accuracy--complexity trade-off also use significant memory resources and have low computational efficiency. We devised block fusion algorithms to implement all the layers of a residual block in a single kernel, thereby creating temporal locality, avoiding communication, and reducing workspace size. Our ConvFirst model with block-fusion kernels has less arithmetic complexity and greater computational efficiency than baseline models and kernels, and ran approximately four times as fast as ConvNeXt. We also created novel tools, including efficiency gap plots and waterline analysis. Our unified approach to convnet efficiency envisions a new era of models and kernels that achieve greater accuracy at lower cost.

Compressing Pre-trained Models of Code into 3 MB

Although large pre-trained models of code have delivered significant advancements in various code processing tasks, there is an impediment to the wide and fluent adoption of these powerful models in software developers' daily workflow: these large models consume hundreds of megabytes of memory and run slowly on personal devices, which causes problems in model deployment and greatly degrades the user experience. It motivates us to propose Compressor, a novel approach that can compress the pre-trained models of code into extremely small models with negligible performance sacrifice. Our proposed method formulates the design of tiny models as simplifying the pre-trained model architecture: searching for a significantly smaller model that follows an architectural design similar to the original pre-trained model. Compressor proposes a genetic algorithm (GA)-based strategy to guide the simplification process. Prior studies found that a model with higher computational cost tends to be more powerful. Inspired by this insight, the GA algorithm is designed to maximize a model's Giga floating-point operations (GFLOPs), an indicator of the model computational cost, to satisfy the constraint of the target model size. Then, we use the knowledge distillation technique to train the small model: unlabelled data is fed into the large model and the outputs are used as labels to train the small model. We evaluate Compressor with two state-of-the-art pre-trained models, i.e., CodeBERT and GraphCodeBERT, on two important tasks, i.e., vulnerability prediction and clone detection. We use our method to compress pre-trained models to a size (3 MB), which is 160times smaller than the original size. The results show that compressed CodeBERT and GraphCodeBERT are 4.31times and 4.15times faster than the original model at inference, respectively. More importantly, ...

Scalable MatMul-free Language Modeling

Matrix multiplication (MatMul) typically dominates the overall computational cost of large language models (LLMs). This cost only grows as LLMs scale to larger embedding dimensions and context lengths. In this work, we show that MatMul operations can be completely eliminated from LLMs while maintaining strong performance at billion-parameter scales. Our experiments show that our proposed MatMul-free models achieve performance on-par with state-of-the-art Transformers that require far more memory during inference at a scale up to at least 2.7B parameters. We investigate the scaling laws and find that the performance gap between our MatMul-free models and full precision Transformers narrows as the model size increases. We also provide a GPU-efficient implementation of this model which reduces memory usage by up to 61% over an unoptimized baseline during training. By utilizing an optimized kernel during inference, our model's memory consumption can be reduced by more than 10x compared to unoptimized models. To properly quantify the efficiency of our architecture, we build a custom hardware solution on an FPGA which exploits lightweight operations beyond what GPUs are capable of. We processed billion-parameter scale models at 13W beyond human readable throughput, moving LLMs closer to brain-like efficiency. This work not only shows how far LLMs can be stripped back while still performing effectively, but also points at the types of operations future accelerators should be optimized for in processing the next generation of lightweight LLMs. Our code implementation is available at https://github.com/ridgerchu/matmulfreellm.

Read-ME: Refactorizing LLMs as Router-Decoupled Mixture of Experts with System Co-Design

The proliferation of large language models (LLMs) has led to the adoption of Mixture-of-Experts (MoE) architectures that dynamically leverage specialized subnetworks for improved efficiency and performance. Despite their benefits, MoE models face significant challenges during inference, including inefficient memory management and suboptimal batching, due to misaligned design choices between the model architecture and the system policies. Furthermore, the conventional approach of training MoEs from scratch is increasingly prohibitive in terms of cost. In this paper, we propose a novel framework Read-ME that transforms pre-trained dense LLMs into smaller MoE models (in contrast to "upcycling" generalist MoEs), avoiding the high costs of ground-up training. Our approach employs activation sparsity to extract experts. To compose experts, we examine the widely-adopted layer-wise router design and show its redundancy, and thus we introduce the pre-gating router decoupled from the MoE backbone that facilitates system-friendly pre-computing and lookahead scheduling, enhancing expert-aware batching and caching. Our codesign therefore addresses critical gaps on both the algorithmic and system fronts, establishing a scalable and efficient alternative for LLM inference in resource-constrained settings. Read-ME outperforms other popular open-source dense models of similar scales, achieving improvements of up to 10.1% on MMLU, and improving mean end-to-end latency up to 6.1%. Codes are available at: https://github.com/VITA-Group/READ-ME.

Squeezed Attention: Accelerating Long Context Length LLM Inference

Emerging Large Language Model (LLM) applications require long input prompts to perform complex downstream tasks like document analysis and code generation. For these long context length applications, the length of the input prompt poses a significant challenge in terms of inference efficiency since the inference costs increase linearly with sequence length. However, for many of these applications, much of the context in the prompt is fixed across different user inputs, thereby providing the opportunity to perform offline optimizations to process user inputs quickly, as they are received. In this work, we propose Squeezed Attention as a mechanism to accelerate LLM applications where a large portion of the input prompt is fixed. We first leverage K-means clustering offline to group the keys for the fixed context based on semantic similarity and represent each cluster with a single centroid value. During inference, we compare query tokens from the user input with the centroids to predict which of the keys from the fixed context are semantically relevant and need to be loaded during inference. We then compute exact attention using only these important keys from the fixed context, thereby reducing bandwidth and computational costs. We also extend our method to use a hierarchical centroid lookup to identify important keys, which can reduce the complexity of attention from linear to logarithmic with respect to the context length. We implement optimized Triton kernels for centroid comparison and sparse FlashAttention with important keys, achieving more than 4x speedups during both the prefill and generation phases for long-context inference. Furthermore, we have extensively evaluated our method on various long-context benchmarks including LongBench, where it achieves a 3x reduction in KV cache budget without accuracy loss and up to an 8x reduction with <0.5 point accuracy gap for various models.

eDKM: An Efficient and Accurate Train-time Weight Clustering for Large Language Models

Since Large Language Models or LLMs have demonstrated high-quality performance on many complex language tasks, there is a great interest in bringing these LLMs to mobile devices for faster responses and better privacy protection. However, the size of LLMs (i.e., billions of parameters) requires highly effective compression to fit into storage-limited devices. Among many compression techniques, weight-clustering, a form of non-linear quantization, is one of the leading candidates for LLM compression, and supported by modern smartphones. Yet, its training overhead is prohibitively significant for LLM fine-tuning. Especially, Differentiable KMeans Clustering, or DKM, has shown the state-of-the-art trade-off between compression ratio and accuracy regression, but its large memory complexity makes it nearly impossible to apply to train-time LLM compression. In this paper, we propose a memory-efficient DKM implementation, eDKM powered by novel techniques to reduce the memory footprint of DKM by orders of magnitudes. For a given tensor to be saved on CPU for the backward pass of DKM, we compressed the tensor by applying uniquification and sharding after checking if there is no duplicated tensor previously copied to CPU. Our experimental results demonstrate that \prjname can fine-tune and compress a pretrained LLaMA 7B model from 12.6 GB to 2.5 GB (3bit/weight) with the Alpaca dataset by reducing the train-time memory footprint of a decoder layer by 130times, while delivering good accuracy on broader LLM benchmarks (i.e., 77.7% for PIQA, 66.1% for Winograde, and so on).