Daily Papers

Human similarity judgments are a powerful supervision signal for machine learning applications based on techniques such as contrastive learning, information retrieval, and model alignment, but classical methods for collecting human similarity judgments are too expensive to be used at scale. Recent methods propose using pre-trained deep neural networks (DNNs) to approximate human similarity, but pre-trained DNNs may not be available for certain domains (e.g., medical images, low-resource languages) and their performance in approximating human similarity has not been extensively tested. We conducted an evaluation of 611 pre-trained models across three domains -- images, audio, video -- and found that there is a large gap in performance between human similarity judgments and pre-trained DNNs. To address this gap, we propose a new class of similarity approximation methods based on language. To collect the language data required by these new methods, we also developed and validated a novel adaptive tag collection pipeline. We find that our proposed language-based methods are significantly cheaper, in the number of human judgments, than classical methods, but still improve performance over the DNN-based methods. Finally, we also develop `stacked' methods that combine language embeddings with DNN embeddings, and find that these consistently provide the best approximations for human similarity across all three of our modalities. Based on the results of this comprehensive study, we provide a concise guide for researchers interested in collecting or approximating human similarity data. To accompany this guide, we also release all of the similarity and language data, a total of 206,339 human judgments, that we collected in our experiments, along with a detailed breakdown of all modeling results.

The costly self-attention layers in modern Transformers require memory and compute quadratic in sequence length. Existing approximation methods usually underperform and fail to obtain significant speedups in practice. Here we present SwitchHead - a novel method that reduces both compute and memory requirements and achieves wall-clock speedup, while matching the language modeling performance of baseline Transformers with the same parameter budget. SwitchHead uses Mixture-of-Experts (MoE) layers for the value and output projections and requires 4 to 8 times fewer attention matrices than standard Transformers. Our novel attention can also be combined with MoE MLP layers, resulting in an efficient fully-MoE "SwitchAll" Transformer model. Our code is public.

Optimizing inference for long-context Large Language Models (LLMs) is increasingly important due to the quadratic compute and linear memory complexity of Transformers. Existing approximation methods, such as key-value (KV) cache dropping, sparse attention, and prompt compression, typically rely on rough predictions of token or KV pair importance. We propose a novel framework for approximate LLM inference that leverages small draft models to more accurately predict the importance of tokens and KV pairs. Specifically, we introduce two instantiations of our proposed framework: (i) SpecKV, which leverages a draft output to accurately assess the importance of each KV pair for more effective KV cache dropping, and (ii) SpecPC, which uses the draft model's attention activations to identify and discard unimportant prompt tokens. To the best of our knowledge, this is the first work to use draft models for approximate LLM inference acceleration, extending their utility beyond traditional lossless speculative decoding. We motivate our methods with theoretical and empirical analyses, and show a strong correlation between the attention patterns of draft and target models. Extensive experiments on long-context benchmarks show that our methods consistently achieve higher accuracy than existing baselines, while preserving the same improvements in memory usage, latency, and throughput. Our code is available at https://github.com/furiosa-ai/draft-based-approx-llm.

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

This paper presents a method that can quickly adapt dynamic 3D avatars to arbitrary text descriptions of novel styles. Among existing approaches for avatar stylization, direct optimization methods can produce excellent results for arbitrary styles but they are unpleasantly slow. Furthermore, they require redoing the optimization process from scratch for every new input. Fast approximation methods using feed-forward networks trained on a large dataset of style images can generate results for new inputs quickly, but tend not to generalize well to novel styles and fall short in quality. We therefore investigate a new approach, AlteredAvatar, that combines those two approaches using the meta-learning framework. In the inner loop, the model learns to optimize to match a single target style well; while in the outer loop, the model learns to stylize efficiently across many styles. After training, AlteredAvatar learns an initialization that can quickly adapt within a small number of update steps to a novel style, which can be given using texts, a reference image, or a combination of both. We show that AlteredAvatar can achieve a good balance between speed, flexibility and quality, while maintaining consistency across a wide range of novel views and facial expressions.

With the blossom of large language models (LLMs), inference efficiency becomes increasingly important. Various approximation methods are proposed to reduce the cost at inference time. Contextual Sparsity (CS) is appealing for its training-free nature and its ability to reach a higher compression ratio seemingly without quality degradation. However, after a comprehensive evaluation of contextual sparsity methods on various complex generation tasks, we find that although CS succeeds in prompt-understanding tasks, CS significantly degrades the model performance for reasoning, deduction, and knowledge-based tasks. Despite the gap in end-to-end accuracy, we observed that sparse models often share general problem-solving logic and require only a few token corrections to recover the original model performance. This paper introduces Sirius, an efficient correction mechanism, which significantly recovers CS models quality on reasoning tasks while maintaining its efficiency gain. Sirius is evaluated on 6 models with 8 difficult generation tasks in reasoning, math, and coding and shows consistent effectiveness and efficiency. Also, we carefully develop a system implementation for Sirius and show that Sirius achieves roughly 20% reduction in latency for 8B model on-chip and 35% reduction for 70B model offloading. We open-source our implementation of Sirius at https://github.com/Infini-AI-Lab/Sirius.git.

Large language models (LLMs) with long context windows have gained significant attention. However, the KV cache, stored to avoid re-computation, becomes a bottleneck. Various dynamic sparse or TopK-based attention approximation methods have been proposed to leverage the common insight that attention is sparse. In this paper, we first show that TopK attention itself suffers from quality degradation in certain downstream tasks because attention is not always as sparse as expected. Rather than selecting the keys and values with the highest attention scores, sampling with theoretical guarantees can provide a better estimation for attention output. To make the sampling-based approximation practical in LLM generation, we propose MagicPIG, a heterogeneous system based on Locality Sensitive Hashing (LSH). MagicPIG significantly reduces the workload of attention computation while preserving high accuracy for diverse tasks. MagicPIG stores the LSH hash tables and runs the attention computation on the CPU, which allows it to serve longer contexts and larger batch sizes with high approximation accuracy. MagicPIG can improve decoding throughput by up to 5times across various GPU hardware and achieve 54ms decoding latency on a single RTX 4090 for Llama-3.1-8B-Instruct model with a context of 96k tokens. The code is available at https://github.com/Infini-AI-Lab/MagicPIG.

Transformer based models, like BERT and RoBERTa, have achieved state-of-the-art results in many Natural Language Processing tasks. However, their memory footprint, inference latency, and power consumption are prohibitive efficient inference at the edge, and even at the data center. While quantization can be a viable solution for this, previous work on quantizing Transformer based models use floating-point arithmetic during inference, which cannot efficiently utilize integer-only logical units such as the recent Turing Tensor Cores, or traditional integer-only ARM processors. In this work, we propose I-BERT, a novel quantization scheme for Transformer based models that quantizes the entire inference with integer-only arithmetic. Based on lightweight integer-only approximation methods for nonlinear operations, e.g., GELU, Softmax, and Layer Normalization, I-BERT performs an end-to-end integer-only BERT inference without any floating point calculation. We evaluate our approach on GLUE downstream tasks using RoBERTa-Base/Large. We show that for both cases, I-BERT achieves similar (and slightly higher) accuracy as compared to the full-precision baseline. Furthermore, our preliminary implementation of I-BERT shows a speedup of 2.4-4.0x for INT8 inference on a T4 GPU system as compared to FP32 inference. The framework has been developed in PyTorch and has been open-sourced.

In recent years, denoising diffusion models have become a crucial area of research due to their abundance in the rapidly expanding field of generative AI. While recent statistical advances have delivered explanations for the generation ability of idealised denoising diffusion models for high-dimensional target data, implementations introduce thresholding procedures for the generating process to overcome issues arising from the unbounded state space of such models. This mismatch between theoretical design and implementation of diffusion models has been addressed empirically by using a reflected diffusion process as the driver of noise instead. In this paper, we study statistical guarantees of these denoising reflected diffusion models. In particular, we establish minimax optimal rates of convergence in total variation, up to a polylogarithmic factor, under Sobolev smoothness assumptions. Our main contributions include the statistical analysis of this novel class of denoising reflected diffusion models and a refined score approximation method in both time and space, leveraging spectral decomposition and rigorous neural network analysis.

Modern-day time-domain photometric surveys collect a lot of observations of various astronomical objects and the coming era of large-scale surveys will provide even more information on their properties. Spectroscopic follow-ups are especially crucial for transients such as supernovae and most of these objects have not been subject to such studies. }{Flux time series are actively used as an affordable alternative for photometric classification and characterization, for instance, peak identifications and luminosity decline estimations. However, the collected time series are multidimensional and irregularly sampled, while also containing outliers and without any well-defined systematic uncertainties. This paper presents a search for the best-performing methods to approximate the observed light curves over time and wavelength for the purpose of generating time series with regular time steps in each passband.}{We examined several light curve approximation methods based on neural networks such as multilayer perceptrons, Bayesian neural networks, and normalizing flows to approximate observations of a single light curve. Test datasets include simulated PLAsTiCC and real Zwicky Transient Facility Bright Transient Survey light curves of transients.}{The tests demonstrate that even just a few observations are enough to fit the networks and improve the quality of approximation, compared to state-of-the-art models. The methods described in this work have a low computational complexity and are significantly faster than Gaussian processes. Additionally, we analyzed the performance of the approximation techniques from the perspective of further peak identification and transients classification. The study results have been released in an open and user-friendly Fulu Python library available on GitHub for the scientific community.

Cross-validation (CV) is one of the most popular tools for assessing and selecting predictive models. However, standard CV suffers from high computational cost when the number of folds is large. Recently, under the empirical risk minimization (ERM) framework, a line of works proposed efficient methods to approximate CV based on the solution of the ERM problem trained on the full dataset. However, in large-scale problems, it can be hard to obtain the exact solution of the ERM problem, either due to limited computational resources or due to early stopping as a way of preventing overfitting. In this paper, we propose a new paradigm to efficiently approximate CV when the ERM problem is solved via an iterative first-order algorithm, without running until convergence. Our new method extends existing guarantees for CV approximation to hold along the whole trajectory of the algorithm, including at convergence, thus generalizing existing CV approximation methods. Finally, we illustrate the accuracy and computational efficiency of our method through a range of empirical studies.

Inference on large language models can be expensive in terms of the compute and memory costs involved, especially when long sequence lengths are used. In particular, the self-attention mechanism used in such models contributes significantly to these costs, which has resulted in several recent works that propose sparse attention approximations for inference. In this work, we propose to approximate the self-attention computation by focusing on the dimensionality of key vectors computed in the attention block. Our analysis reveals that the key vectors lie in a significantly lower-dimensional space, consistently across several datasets and models. Exploiting this observation, we propose Loki, a novel sparse attention method that ranks and selects tokens in the KV-cache based on attention scores computed in low-dimensional space. Our evaluations show that Loki is able to maintain the efficacy of the models better than other popular approximation methods, while speeding up the attention computation due to reduced data movement (load/store) and compute costs.

Aligning language models with preferences can be posed as approximating a target distribution representing some desired behavior. Existing approaches differ both in the functional form of the target distribution and the algorithm used to approximate it. For instance, Reinforcement Learning from Human Feedback (RLHF) corresponds to minimizing a reverse KL from an implicit target distribution arising from a KL penalty in the objective. On the other hand, Generative Distributional Control (GDC) has an explicit target distribution and minimizes a forward KL from it using the Distributional Policy Gradient (DPG) algorithm. In this paper, we propose a new approach, f-DPG, which allows the use of any f-divergence to approximate any target distribution that can be evaluated. f-DPG unifies both frameworks (RLHF, GDC) and the approximation methods (DPG, RL with KL penalties). We show the practical benefits of various choices of divergence objectives and demonstrate that there is no universally optimal objective but that different divergences present different alignment and diversity trade-offs. We show that Jensen-Shannon divergence strikes a good balance between these objectives, and frequently outperforms forward KL divergence by a wide margin, leading to significant improvements over prior work. These distinguishing characteristics between divergences persist as the model size increases, highlighting the importance of selecting appropriate divergence objectives.

The distribution of the weights of modern deep neural networks (DNNs) - crucial for uncertainty quantification and robustness - is an eminently complex object due to its extremely high dimensionality. This paper proposes one of the first large-scale explorations of the posterior distribution of deep Bayesian Neural Networks (BNNs), expanding its study to real-world vision tasks and architectures. Specifically, we investigate the optimal approach for approximating the posterior, analyze the connection between posterior quality and uncertainty quantification, delve into the impact of modes on the posterior, and explore methods for visualizing the posterior. Moreover, we uncover weight-space symmetries as a critical aspect for understanding the posterior. To this extent, we develop an in-depth assessment of the impact of both permutation and scaling symmetries that tend to obfuscate the Bayesian posterior. While the first type of transformation is known for duplicating modes, we explore the relationship between the latter and L2 regularization, challenging previous misconceptions. Finally, to help the community improve our understanding of the Bayesian posterior, we will shortly release the first large-scale checkpoint dataset, including thousands of real-world models and our codes.

Transformer-based large language models (LLMs) demonstrate impressive performance in long context generation. Extending the context length has disproportionately shifted the memory footprint of LLMs during inference to the key-value cache (KV cache). In this paper, we propose HEADINFER, which offloads the KV cache to CPU RAM while avoiding the need to fully store the KV cache for any transformer layer on the GPU. HEADINFER employs a fine-grained, head-wise offloading strategy, maintaining only selective attention heads KV cache on the GPU while computing attention output dynamically. Through roofline analysis, we demonstrate that HEADINFER maintains computational efficiency while significantly reducing memory footprint. We evaluate HEADINFER on the Llama-3-8B model with a 1-million-token sequence, reducing the GPU memory footprint of the KV cache from 128 GB to 1 GB and the total GPU memory usage from 207 GB to 17 GB, achieving a 92% reduction compared to BF16 baseline inference. Notably, HEADINFER enables 4-million-token inference with an 8B model on a single consumer GPU with 24GB memory (e.g., NVIDIA RTX 4090) without approximation methods.

Understanding and analyzing markets is crucial, yet analytical equilibrium solutions remain largely infeasible. Recent breakthroughs in equilibrium computation rely on zeroth-order policy gradient estimation. These approaches commonly suffer from high variance and are computationally expensive. The use of fully differentiable simulators would enable more efficient gradient estimation. However, the discrete allocation of goods in economic simulations is a non-differentiable operation. This renders the first-order Monte Carlo gradient estimator inapplicable and the learning feedback systematically misleading. We propose a novel smoothing technique that creates a surrogate market game, in which first-order methods can be applied. We provide theoretical bounds on the resulting bias which justifies solving the smoothed game instead. These bounds also allow choosing the smoothing strength a priori such that the resulting estimate has low variance. Furthermore, we validate our approach via numerous empirical experiments. Our method theoretically and empirically outperforms zeroth-order methods in approximation quality and computational efficiency.

Large language models (LLMs) struggle with precise length control, particularly in zero-shot settings. We conduct a comprehensive study evaluating LLMs' length control capabilities across multiple measures and propose practical methods to improve controllability. Our experiments with LLaMA 3 reveal stark differences in length adherence across measures and highlight inherent biases of the model. To address these challenges, we introduce a set of methods: length approximation, target adjustment, sample filtering, and automated revisions. By combining these methods, we demonstrate substantial improvements in length compliance while maintaining or enhancing summary quality, providing highly effective zero-shot strategies for precise length control without the need for model fine-tuning or architectural changes. With our work, we not only advance our understanding of LLM behavior in controlled text generation but also pave the way for more reliable and adaptable summarization systems in real-world applications.

In value-based reinforcement learning methods such as deep Q-learning, function approximation errors are known to lead to overestimated value estimates and suboptimal policies. We show that this problem persists in an actor-critic setting and propose novel mechanisms to minimize its effects on both the actor and the critic. Our algorithm builds on Double Q-learning, by taking the minimum value between a pair of critics to limit overestimation. We draw the connection between target networks and overestimation bias, and suggest delaying policy updates to reduce per-update error and further improve performance. We evaluate our method on the suite of OpenAI gym tasks, outperforming the state of the art in every environment tested.

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

In this paper we address the solution of the popular Wordle puzzle, using new reinforcement learning methods, which apply more generally to adaptive control of dynamic systems and to classes of Partially Observable Markov Decision Process (POMDP) problems. These methods are based on approximation in value space and the rollout approach, admit a straightforward implementation, and provide improved performance over various heuristic approaches. For the Wordle puzzle, they yield on-line solution strategies that are very close to optimal at relatively modest computational cost. Our methods are viable for more complex versions of Wordle and related search problems, for which an optimal strategy would be impossible to compute. They are also applicable to a wide range of adaptive sequential decision problems that involve an unknown or frequently changing environment whose parameters are estimated on-line.

Due to growing privacy concerns, machine unlearning, which aims at enabling machine learning models to ``forget" specific training data, has received increasing attention. Among existing methods, influence-based unlearning has emerged as a prominent approach due to its ability to estimate the impact of individual training samples on model parameters without retraining. However, this approach suffers from prohibitive computational overhead arising from the necessity to compute the Hessian matrix and its inverse across all training samples and parameters, rendering it impractical for large-scale models and scenarios involving frequent data deletion requests. This highlights the difficulty of forgetting. Inspired by cognitive science, which suggests that memorizing is easier than forgetting, this paper establishes a theoretical link between memorizing (incremental learning) and forgetting (unlearning). This connection allows machine unlearning to be addressed from the perspective of incremental learning. Unlike the time-consuming Hessian computations in unlearning (forgetting), incremental learning (memorizing) typically relies on more efficient gradient optimization, which supports the aforementioned cognitive theory. Based on this connection, we introduce the Influence Approximation Unlearning (IAU) algorithm for efficient machine unlearning from the incremental perspective. Extensive empirical evaluations demonstrate that IAU achieves a superior balance among removal guarantee, unlearning efficiency, and comparable model utility, while outperforming state-of-the-art methods across diverse datasets and model architectures. Our code is available at https://github.com/Lolo1222/IAU.

We introduce for continual learning Autodiff Quadratic Consolidation (AQC), which approximates the previous loss function with a quadratic function, and Neural Consolidation (NC), which approximates the previous loss function with a neural network. Although they are not scalable to large neural networks, they can be used with a fixed pre-trained feature extractor. We empirically study these methods in class-incremental learning, for which regularization-based methods produce unsatisfactory results, unless combined with replay. We find that for small datasets, quadratic approximation of the previous loss function leads to poor results, even with full Hessian computation, and NC could significantly improve the predictive performance, while for large datasets, when used with a fixed pre-trained feature extractor, AQC provides superior predictive performance. We also find that using tanh-output features can improve the predictive performance of AQC. In particular, in class-incremental Split MNIST, when a Convolutional Neural Network (CNN) with tanh-output features is pre-trained on EMNIST Letters and used as a fixed pre-trained feature extractor, AQC can achieve predictive performance comparable to joint training.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.

Existing methods of pruning deep neural networks focus on removing unnecessary parameters of the trained network and fine tuning the model afterwards to find a good solution that recovers the initial performance of the trained model. Unlike other works, our method pays special attention to the quality of the solution in the compressed model and inference computation time by pruning neurons. The proposed algorithm directs the parameters of the compressed model toward a flatter solution by exploring the spectral radius of Hessian which results in better generalization on unseen data. Moreover, the method does not work with a pre-trained network and performs training and pruning simultaneously. Our result shows that it improves the state-of-the-art results on neuron compression. The method is able to achieve very small networks with small accuracy degradation across different neural network models.

This paper provides a non-asymptotic analysis of linear stochastic approximation (LSA) algorithms with fixed stepsize. This family of methods arises in many machine learning tasks and is used to obtain approximate solutions of a linear system Atheta = b for which A and b can only be accessed through random estimates {({bf A}_n, {bf b}_n): n in N^*}. Our analysis is based on new results regarding moments and high probability bounds for products of matrices which are shown to be tight. We derive high probability bounds on the performance of LSA under weaker conditions on the sequence {({bf A}_n, {bf b}_n): n in N^*} than previous works. However, in contrast, we establish polynomial concentration bounds with order depending on the stepsize. We show that our conclusions cannot be improved without additional assumptions on the sequence of random matrices {{bf A}_n: n in N^*}, and in particular that no Gaussian or exponential high probability bounds can hold. Finally, we pay a particular attention to establishing bounds with sharp order with respect to the number of iterations and the stepsize and whose leading terms contain the covariance matrices appearing in the central limit theorems.

In this work, we re-formulate the model compression problem into the customized compensation problem: Given a compressed model, we aim to introduce residual low-rank paths to compensate for compression errors under customized requirements from users (e.g., tasks, compression ratios), resulting in greater flexibility in adjusting overall capacity without being constrained by specific compression formats. However, naively applying SVD to derive residual paths causes suboptimal utilization of the low-rank representation capacity. Instead, we propose Training-free Eigenspace Low-Rank Approximation (EoRA), a method that directly minimizes compression-induced errors without requiring gradient-based training, achieving fast optimization in minutes using a small amount of calibration data. EoRA projects compression errors into the eigenspace of input activations, leveraging eigenvalues to effectively prioritize the reconstruction of high-importance error components. Moreover, EoRA can be seamlessly integrated with fine-tuning and quantization to further improve effectiveness and efficiency. EoRA consistently outperforms previous methods in compensating errors for compressed LLaMA2/3 models on various tasks, such as language generation, commonsense reasoning, and math reasoning tasks (e.g., 31.31%/12.88% and 9.69% improvements on ARC-Easy/ARC-Challenge and MathQA when compensating LLaMA3-8B that is quantized to 4-bit and pruned to 2:4 sparsity). EoRA offers a scalable, training-free solution to compensate for compression errors, making it a powerful tool to deploy LLMs in various capacity and efficiency requirements.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Although large language models (LLMs) have achieved remarkable success across various domains, their considerable scale necessitates substantial computational resources, posing significant challenges for deployment in resource-constrained environments. Layer pruning, as a simple yet effective compression method, removes layers of a model directly, reducing computational overhead. However, what are the best practices for layer pruning in LLMs? Are sophisticated layer selection metrics truly effective? Does the LoRA (Low-Rank Approximation) family, widely regarded as a leading method for pruned model fine-tuning, truly meet expectations when applied to post-pruning fine-tuning? To answer these questions, we dedicate thousands of GPU hours to benchmarking layer pruning in LLMs and gaining insights across multiple dimensions. Our results demonstrate that a simple approach, i.e., pruning the final 25\% of layers followed by fine-tuning the lm\_head and the remaining last three layer, yields remarkably strong performance. Following this guide, we prune Llama-3.1-8B-It and obtain a model that outperforms many popular LLMs of similar size, such as ChatGLM2-6B, Vicuna-7B-v1.5, Qwen1.5-7B and Baichuan2-7B. We release the optimal model weights on Huggingface, and the code is available on GitHub.

A popular approach to sample a diffusion-based generative model is to solve an ordinary differential equation (ODE). In existing samplers, the coefficients of the ODE solvers are pre-determined by the ODE formulation, the reverse discrete timesteps, and the employed ODE methods. In this paper, we consider accelerating several popular ODE-based sampling processes (including EDM, DDIM, and DPM-Solver) by optimizing certain coefficients via improved integration approximation (IIA). We propose to minimize, for each time step, a mean squared error (MSE) function with respect to the selected coefficients. The MSE is constructed by applying the original ODE solver for a set of fine-grained timesteps, which in principle provides a more accurate integration approximation in predicting the next diffusion state. The proposed IIA technique does not require any change of a pre-trained model, and only introduces a very small computational overhead for solving a number of quadratic optimization problems. Extensive experiments show that considerably better FID scores can be achieved by using IIA-EDM, IIA-DDIM, and IIA-DPM-Solver than the original counterparts when the neural function evaluation (NFE) is small (i.e., less than 25).

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate for stationary kernels than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

Recently, various methods have been proposed to address the inconsistency issue of DDIM inversion to enable image editing, such as EDICT [36] and Null-text inversion [22]. However, the above methods introduce considerable computational overhead. In this paper, we propose a new technique, named bi-directional integration approximation (BDIA), to perform exact diffusion inversion with neglible computational overhead. Suppose we would like to estimate the next diffusion state z_{i-1} at timestep t_i with the historical information (i,z_i) and (i+1,z_{i+1}). We first obtain the estimated Gaussian noise boldsymbol{epsilon}(z_i,i), and then apply the DDIM update procedure twice for approximating the ODE integration over the next time-slot [t_i, t_{i-1}] in the forward manner and the previous time-slot [t_i, t_{t+1}] in the backward manner. The DDIM step for the previous time-slot is used to refine the integration approximation made earlier when computing z_i. A nice property of BDIA-DDIM is that the update expression for z_{i-1} is a linear combination of (z_{i+1}, z_i, boldsymbol{epsilon}(z_i,i)). This allows for exact backward computation of z_{i+1} given (z_i, z_{i-1}), thus leading to exact diffusion inversion. It is demonstrated with experiments that (round-trip) BDIA-DDIM is particularly effective for image editing. Our experiments further show that BDIA-DDIM produces markedly better image sampling qualities than DDIM for text-to-image generation. BDIA can also be applied to improve the performance of other ODE solvers in addition to DDIM. In our work, it is found that applying BDIA to the EDM sampling procedure produces consistently better performance over four pre-trained models.

We study the conformal bootstrap of 1D CFTs on the straight Maldacena-Wilson line in 4D {cal N}=4 super-Yang-Mills theory. We introduce an improved truncation scheme with an 'OPE tail' approximation and use it to reproduce the 'bootstrability' results of Cavagli\`a et al. for the OPE-coefficients squared of the first three unprotected operators. For example, for the first OPE-coefficient squared at 't Hooft coupling (4pi)^2, linear-functional methods with two sum rules from integrated correlators give the rigorous result 0.294014873 pm 4.88 cdot 10^{-8}, whereas our methods give with machine-precision computations 0.294014228 pm 6.77 cdot 10^{-7}. For our numerical searches, we benchmark the Reinforcement Learning Soft Actor-Critic algorithm against an Interior Point Method algorithm (IPOPT) and comment on the merits of each algorithm.

Photometric data-driven classification of supernovae becomes a challenge due to the appearance of real-time processing of big data in astronomy. Recent studies have demonstrated the superior quality of solutions based on various machine learning models. These models learn to classify supernova types using their light curves as inputs. Preprocessing these curves is a crucial step that significantly affects the final quality. In this talk, we study the application of multilayer perceptron (MLP), bayesian neural network (BNN), and normalizing flows (NF) to approximate observations for a single light curve. We use these approximations as inputs for supernovae classification models and demonstrate that the proposed methods outperform the state-of-the-art based on Gaussian processes applying to the Zwicky Transient Facility Bright Transient Survey light curves. MLP demonstrates similar quality as Gaussian processes and speed increase. Normalizing Flows exceeds Gaussian processes in terms of approximation quality as well.

We propose the use of low bit-depth Sigma-Delta and distributed noise-shaping methods for quantizing the Random Fourier features (RFFs) associated with shift-invariant kernels. We prove that our quantized RFFs -- even in the case of 1-bit quantization -- allow a high accuracy approximation of the underlying kernels, and the approximation error decays at least polynomially fast as the dimension of the RFFs increases. We also show that the quantized RFFs can be further compressed, yielding an excellent trade-off between memory use and accuracy. Namely, the approximation error now decays exponentially as a function of the bits used. Moreover, we empirically show by testing the performance of our methods on several machine learning tasks that our method compares favorably to other state of the art quantization methods in this context.

Recently, Large Language Models (LLMs) have rapidly evolved, approaching Artificial General Intelligence (AGI) while benefiting from large-scale reinforcement learning to enhance Human Alignment (HA) and Reasoning. Recent reward-based optimization algorithms, such as Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO) have achieved significant performance on reasoning tasks, whereas preference-based optimization algorithms such as Direct Preference Optimization (DPO) significantly improve the performance of LLMs on human alignment. However, despite the strong performance of reward-based optimization methods in alignment tasks , they remain vulnerable to reward hacking. Furthermore, preference-based algorithms (such as Online DPO) haven't yet matched the performance of reward-based optimization algorithms (like PPO) on reasoning tasks, making their exploration in this specific area still a worthwhile pursuit. Motivated by these challenges, we propose the Trust Region Preference Approximation (TRPA) algorithm, which integrates rule-based optimization with preference-based optimization for reasoning tasks. As a preference-based algorithm, TRPA naturally eliminates the reward hacking issue. TRPA constructs preference levels using predefined rules, forms corresponding preference pairs, and leverages a novel optimization algorithm for RL training with a theoretical monotonic improvement guarantee. Experimental results demonstrate that TRPA not only achieves competitive performance on reasoning tasks but also exhibits robust stability. The code of this paper are released and updating on https://github.com/XueruiSu/Trust-Region-Preference-Approximation.git.

We investigate a primal-dual (PD) method for the saddle point problem (SPP) that uses a linear approximation of the primal function instead of the standard proximal step, resulting in a linearized PD (LPD) method. For convex-strongly concave SPP, we observe that the LPD method has a suboptimal dependence on the Lipschitz constant of the primal function. To fix this issue, we combine features of Accelerated Gradient Descent with the LPD method resulting in a single-loop Accelerated Linearized Primal-Dual (ALPD) method. ALPD method achieves the optimal gradient complexity when the SPP has a semi-linear coupling function. We also present an inexact ALPD method for SPPs with a general nonlinear coupling function that maintains the optimal gradient evaluations of the primal parts and significantly improves the gradient evaluations of the coupling term compared to the ALPD method. We verify our findings with numerical experiments.

In this work, we focus on a fractional differential equation in Riesz form discretized by a polynomial B-spline collocation method. For an arbitrary polynomial degree p, we show that the resulting coefficient matrices possess a Toeplitz-like structure. We investigate their spectral properties via their symbol and we prove that, like for second order differential problems, also in this case the given matrices are ill-conditioned both in the low and high frequencies for large p. More precisely, in the fractional scenario the symbol has a single zero at 0 of order α, with α the fractional derivative order that ranges from 1 to 2, and it presents an exponential decay to zero at π for increasing p that becomes faster as α approaches 1. This translates in a mitigated conditioning in the low frequencies and in a deterioration in the high frequencies when compared to second order problems. Furthermore, the derivation of the symbol reveals another similarity of our problem with a classical diffusion problem. Since the entries of the coefficient matrices are defined as evaluations of fractional derivatives of the B-spline basis at the collocation points, we are able to express the central entries of the coefficient matrix as inner products of two fractional derivatives of cardinal B-splines. Finally, we perform a numerical study of the approximation behavior of polynomial B-spline collocation. This study suggests that, in line with non-fractional diffusion problems, the approximation order for smooth solutions in the fractional case is p+2-α for even p, and p+1-α for odd p.

In this paper, we develop an approximation scheme for solving bilevel programs with equilibrium constraints, which are generally difficult to solve. Among other things, calculating the first-order derivative in such a problem requires differentiation across the hierarchy, which is computationally intensive, if not prohibitive. To bypass the hierarchy, we propose to bound such bilevel programs, equivalent to multiple-followers Stackelberg games, with two new hierarchy-free problems: a T-step Cournot game and a T-step monopoly model. Since they are standard equilibrium or optimization problems, both can be efficiently solved via first-order methods. Importantly, we show that the bounds provided by these problems -- the upper bound by the T-step Cournot game and the lower bound by the T-step monopoly model -- can be made arbitrarily tight by increasing the step parameter T for a wide range of problems. We prove that a small T usually suffices under appropriate conditions to reach an approximation acceptable for most practical purposes. Eventually, the analytical insights are highlighted through numerical examples.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

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.

Post-training quantization (PTQ) has stood out as a cost-effective and promising model compression paradigm in recent years, as it avoids computationally intensive model retraining. Nevertheless, current PTQ methods for Vision Transformers (ViTs) still suffer from significant accuracy degradation, especially under low-bit quantization. To address these shortcomings, we analyze the prevailing Hessian-guided quantization loss, and uncover certain limitations of conventional Hessian approximations. By following the block-wise reconstruction framework, we propose a novel PTQ method for ViTs, dubbed FIMA-Q. Specifically, we firstly establish the connection between KL divergence and FIM, which enables fast computation of the quantization loss during reconstruction. We further propose an efficient FIM approximation method, namely DPLR-FIM, by employing the diagonal plus low-rank principle, and formulate the ultimate quantization loss. Our extensive experiments, conducted across various vision tasks with representative ViT-based architectures on public datasets, demonstrate that our method substantially promotes the accuracy compared to the state-of-the-art approaches, especially in the case of low-bit quantization. The source code is available at https://github.com/ShiheWang/FIMA-Q.

Fine-tuning large-scale pretrained models is prohibitively expensive in terms of computational and memory costs. LoRA, as one of the most popular Parameter-Efficient Fine-Tuning (PEFT) methods, offers a cost-effective alternative by fine-tuning an auxiliary low-rank model that has significantly fewer parameters. Although LoRA reduces the computational and memory requirements significantly at each iteration, extensive empirical evidence indicates that it converges at a considerably slower rate compared to full fine-tuning, ultimately leading to increased overall compute and often worse test performance. In our paper, we perform an in-depth investigation of the initialization method of LoRA and show that careful initialization (without any change of the architecture and the training algorithm) can significantly enhance both efficiency and performance. In particular, we introduce a novel initialization method, LoRA-GA (Low Rank Adaptation with Gradient Approximation), which aligns the gradients of low-rank matrix product with those of full fine-tuning at the first step. Our extensive experiments demonstrate that LoRA-GA achieves a convergence rate comparable to that of full fine-tuning (hence being significantly faster than vanilla LoRA as well as various recent improvements) while simultaneously attaining comparable or even better performance. For example, on the subset of the GLUE dataset with T5-Base, LoRA-GA outperforms LoRA by 5.69% on average. On larger models such as Llama 2-7B, LoRA-GA shows performance improvements of 0.34, 11.52%, and 5.05% on MT-bench, GSM8K, and Human-eval, respectively. Additionally, we observe up to 2-4 times convergence speed improvement compared to vanilla LoRA, validating its effectiveness in accelerating convergence and enhancing model performance. Code is available at https://github.com/Outsider565/LoRA-GA.

Recent advances in natural language processing, primarily propelled by Large Language Models (LLMs), have showcased their remarkable capabilities grounded in in-context learning. A promising avenue for guiding LLMs in intricate reasoning tasks involves the utilization of intermediate reasoning steps within the Chain-of-Thought (CoT) paradigm. Nevertheless, the central challenge lies in the effective selection of exemplars for facilitating in-context learning. In this study, we introduce a framework that leverages Dual Queries and Low-rank approximation Re-ranking (DQ-LoRe) to automatically select exemplars for in-context learning. Dual Queries first query LLM to obtain LLM-generated knowledge such as CoT, then query the retriever to obtain the final exemplars via both question and the knowledge. Moreover, for the second query, LoRe employs dimensionality reduction techniques to refine exemplar selection, ensuring close alignment with the input question's knowledge. Through extensive experiments, we demonstrate that DQ-LoRe significantly outperforms prior state-of-the-art methods in the automatic selection of exemplars for GPT-4, enhancing performance from 92.5% to 94.2%. Our comprehensive analysis further reveals that DQ-LoRe consistently outperforms retrieval-based approaches in terms of both performance and adaptability, especially in scenarios characterized by distribution shifts. DQ-LoRe pushes the boundary of in-context learning and opens up new avenues for addressing complex reasoning challenges. Our code is released at https://github.com/AI4fun/DQ-LoRe}{https://github.com/AI4fun/DQ-LoRe.

Integral to recent successes in deep reinforcement learning has been a class of temporal difference methods that use infrequently updated target values for policy evaluation in a Markov Decision Process. Yet a complete theoretical explanation for the effectiveness of target networks remains elusive. In this work, we provide an analysis of this popular class of algorithms, to finally answer the question: `why do target networks stabilise TD learning'? To do so, we formalise the notion of a partially fitted policy evaluation method, which describes the use of target networks and bridges the gap between fitted methods and semigradient temporal difference algorithms. Using this framework we are able to uniquely characterise the so-called deadly triad - the use of TD updates with (nonlinear) function approximation and off-policy data - which often leads to nonconvergent algorithms. This insight leads us to conclude that the use of target networks can mitigate the effects of poor conditioning in the Jacobian of the TD update. Instead, we show that under mild regularity conditions and a well tuned target network update frequency, convergence can be guaranteed even in the extremely challenging off-policy sampling and nonlinear function approximation setting.

In this work, we consider rather general and broad class of Markov chains, Ito chains, that look like Euler-Maryama discretization of some Stochastic Differential Equation. The chain we study is a unified framework for theoretical analysis. It comes with almost arbitrary isotropic and state-dependent noise instead of normal and state-independent one as in most related papers. Moreover, in our chain the drift and diffusion coefficient can be inexact in order to cover wide range of applications as Stochastic Gradient Langevin Dynamics, sampling, Stochastic Gradient Descent or Stochastic Gradient Boosting. We prove the bound in W_{2}-distance between the laws of our Ito chain and corresponding differential equation. These results improve or cover most of the known estimates. And for some particular cases, our analysis is the first.

Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

Labeling neural network submodules with human-legible descriptions is useful for many downstream tasks: such descriptions can surface failures, guide interventions, and perhaps even explain important model behaviors. To date, most mechanistic descriptions of trained networks have involved small models, narrowly delimited phenomena, and large amounts of human labor. Labeling all human-interpretable sub-computations in models of increasing size and complexity will almost certainly require tools that can generate and validate descriptions automatically. Recently, techniques that use learned models in-the-loop for labeling have begun to gain traction, but methods for evaluating their efficacy are limited and ad-hoc. How should we validate and compare open-ended labeling tools? This paper introduces FIND (Function INterpretation and Description), a benchmark suite for evaluating the building blocks of automated interpretability methods. FIND contains functions that resemble components of trained neural networks, and accompanying descriptions of the kind we seek to generate. The functions are procedurally constructed across textual and numeric domains, and involve a range of real-world complexities, including noise, composition, approximation, and bias. We evaluate new and existing methods that use language models (LMs) to produce code-based and language descriptions of function behavior. We find that an off-the-shelf LM augmented with only black-box access to functions can sometimes infer their structure, acting as a scientist by forming hypotheses, proposing experiments, and updating descriptions in light of new data. However, LM-based descriptions tend to capture global function behavior and miss local corruptions. These results show that FIND will be useful for characterizing the performance of more sophisticated interpretability methods before they are applied to real-world models.

Diffusion models have significantly advanced the state of the art in image, audio, and video generation tasks. However, their applications in practical scenarios are hindered by slow inference speed. Drawing inspiration from the approximation strategies utilized in consistency models, we propose the Sub-path Linear Approximation Model (SLAM), which accelerates diffusion models while maintaining high-quality image generation. SLAM treats the PF-ODE trajectory as a series of PF-ODE sub-paths divided by sampled points, and harnesses sub-path linear (SL) ODEs to form a progressive and continuous error estimation along each individual PF-ODE sub-path. The optimization on such SL-ODEs allows SLAM to construct denoising mappings with smaller cumulative approximated errors. An efficient distillation method is also developed to facilitate the incorporation of more advanced diffusion models, such as latent diffusion models. Our extensive experimental results demonstrate that SLAM achieves an efficient training regimen, requiring only 6 A100 GPU days to produce a high-quality generative model capable of 2 to 4-step generation with high performance. Comprehensive evaluations on LAION, MS COCO 2014, and MS COCO 2017 datasets also illustrate that SLAM surpasses existing acceleration methods in few-step generation tasks, achieving state-of-the-art performance both on FID and the quality of the generated images.

General function approximation is a powerful tool to handle large state and action spaces in a broad range of reinforcement learning (RL) scenarios. However, theoretical understanding of non-stationary MDPs with general function approximation is still limited. In this paper, we make the first such an attempt. We first propose a new complexity metric called dynamic Bellman Eluder (DBE) dimension for non-stationary MDPs, which subsumes majority of existing tractable RL problems in static MDPs as well as non-stationary MDPs. Based on the proposed complexity metric, we propose a novel confidence-set based model-free algorithm called SW-OPEA, which features a sliding window mechanism and a new confidence set design for non-stationary MDPs. We then establish an upper bound on the dynamic regret for the proposed algorithm, and show that SW-OPEA is provably efficient as long as the variation budget is not significantly large. We further demonstrate via examples of non-stationary linear and tabular MDPs that our algorithm performs better in small variation budget scenario than the existing UCB-type algorithms. To the best of our knowledge, this is the first dynamic regret analysis in non-stationary MDPs with general function 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.

Machine learning approaches relying on such criteria as adversarial robustness or multi-agent settings have raised the need for solving game-theoretic equilibrium problems. Of particular relevance to these applications are methods targeting finite-sum structure, which generically arises in empirical variants of learning problems in these contexts. Further, methods with computable approximation errors are highly desirable, as they provide verifiable exit criteria. Motivated by these applications, we study finite-sum monotone inclusion problems, which model broad classes of equilibrium problems. Our main contributions are variants of the classical Halpern iteration that employ variance reduction to obtain improved complexity guarantees in which n component operators in the finite sum are ``on average'' either cocoercive or Lipschitz continuous and monotone, with parameter L. The resulting oracle complexity of our methods, which provide guarantees for the last iterate and for a (computable) operator norm residual, is mathcal{O}( n + nLvarepsilon^{-1}), which improves upon existing methods by a factor up to n. This constitutes the first variance reduction-type result for general finite-sum monotone inclusions and for more specific problems such as convex-concave optimization when operator norm residual is the optimality measure. We further argue that, up to poly-logarithmic factors, this complexity is unimprovable in the monotone Lipschitz setting; i.e., the provided result is near-optimal.

Circuit analysis of any certain model behavior is a central task in mechanistic interpretability. We introduce our circuit discovery pipeline with Sparse Autoencoders (SAEs) and a variant called Transcoders. With these two modules inserted into the model, the model's computation graph with respect to OV and MLP circuits becomes strictly linear. Our methods do not require linear approximation to compute the causal effect of each node. This fine-grained graph identifies both end-to-end and local circuits accounting for either logits or intermediate features. We can scalably apply this pipeline with a technique called Hierarchical Attribution. We analyze three kinds of circuits in GPT-2 Small: bracket, induction, and Indirect Object Identification circuits. Our results reveal new findings underlying existing discoveries.

This work examines the challenges of training neural networks using vector quantization using straight-through estimation. We find that a primary cause of training instability is the discrepancy between the model embedding and the code-vector distribution. We identify the factors that contribute to this issue, including the codebook gradient sparsity and the asymmetric nature of the commitment loss, which leads to misaligned code-vector assignments. We propose to address this issue via affine re-parameterization of the code vectors. Additionally, we introduce an alternating optimization to reduce the gradient error introduced by the straight-through estimation. Moreover, we propose an improvement to the commitment loss to ensure better alignment between the codebook representation and the model embedding. These optimization methods improve the mathematical approximation of the straight-through estimation and, ultimately, the model performance. We demonstrate the effectiveness of our methods on several common model architectures, such as AlexNet, ResNet, and ViT, across various tasks, including image classification and generative modeling.

Policy optimization methods with function approximation are widely used in multi-agent reinforcement learning. However, it remains elusive how to design such algorithms with statistical guarantees. Leveraging a multi-agent performance difference lemma that characterizes the landscape of multi-agent policy optimization, we find that the localized action value function serves as an ideal descent direction for each local policy. Motivated by the observation, we present a multi-agent PPO algorithm in which the local policy of each agent is updated similarly to vanilla PPO. We prove that with standard regularity conditions on the Markov game and problem-dependent quantities, our algorithm converges to the globally optimal policy at a sublinear rate. We extend our algorithm to the off-policy setting and introduce pessimism to policy evaluation, which aligns with experiments. To our knowledge, this is the first provably convergent multi-agent PPO algorithm in cooperative Markov games.

Key-value (KV) caching has become the de-facto to accelerate generation speed for large language models (LLMs) inference. However, the growing cache demand with increasing sequence length has transformed LLM inference to be a memory bound problem, significantly constraining the system throughput. Existing methods rely on dropping unimportant tokens or quantizing all entries uniformly. Such methods, however, often incur high approximation errors to represent the compressed matrices. The autoregressive decoding process further compounds the error of each step, resulting in critical deviation in model generation and deterioration of performance. To tackle this challenge, we propose GEAR, an efficient KV cache compression framework that achieves near-lossless high-ratio compression. GEAR first applies quantization to majority of entries of similar magnitudes to ultra-low precision. It then employs a low rank matrix to approximate the quantization error, and a sparse matrix to remedy individual errors from outlier entries. By adeptly integrating three techniques, GEAR is able to fully exploit their synergistic potentials. Our experiments demonstrate that compared to alternatives, GEAR achieves near-lossless 4-bit KV cache compression with up to 2.38x throughput improvement, while reducing peak-memory size up to 2.29x. Our code is publicly available at https://github.com/HaoKang-Timmy/GEAR.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

We investigate the problem of stochastic, combinatorial multi-armed bandits where the learner only has access to bandit feedback and the reward function can be non-linear. We provide a general framework for adapting discrete offline approximation algorithms into sublinear alpha-regret methods that only require bandit feedback, achieving Oleft(T^2{3}log(T)^1{3}right) expected cumulative alpha-regret dependence on the horizon T. The framework only requires the offline algorithms to be robust to small errors in function evaluation. The adaptation procedure does not even require explicit knowledge of the offline approximation algorithm -- the offline algorithm can be used as black box subroutine. To demonstrate the utility of the proposed framework, the proposed framework is applied to multiple problems in submodular maximization, adapting approximation algorithms for cardinality and for knapsack constraints. The new CMAB algorithms for knapsack constraints outperform a full-bandit method developed for the adversarial setting in experiments with real-world data.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.

We propose a method, named DualMesh-UDF, to extract a surface from unsigned distance functions (UDFs), encoded by neural networks, or neural UDFs. Neural UDFs are becoming increasingly popular for surface representation because of their versatility in presenting surfaces with arbitrary topologies, as opposed to the signed distance function that is limited to representing a closed surface. However, the applications of neural UDFs are hindered by the notorious difficulty in extracting the target surfaces they represent. Recent methods for surface extraction from a neural UDF suffer from significant geometric errors or topological artifacts due to two main difficulties: (1) A UDF does not exhibit sign changes; and (2) A neural UDF typically has substantial approximation errors. DualMesh-UDF addresses these two difficulties. Specifically, given a neural UDF encoding a target surface S to be recovered, we first estimate the tangent planes of S at a set of sample points close to S. Next, we organize these sample points into local clusters, and for each local cluster, solve a linear least squares problem to determine a final surface point. These surface points are then connected to create the output mesh surface, which approximates the target surface. The robust estimation of the tangent planes of the target surface and the subsequent minimization problem constitute our core strategy, which contributes to the favorable performance of DualMesh-UDF over other competing methods. To efficiently implement this strategy, we employ an adaptive Octree. Within this framework, we estimate the location of a surface point in each of the octree cells identified as containing part of the target surface. Extensive experiments show that our method outperforms existing methods in terms of surface reconstruction quality while maintaining comparable computational efficiency.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

Compared with full client participation, partial client participation is a more practical scenario in federated learning, but it may amplify some challenges in federated learning, such as data heterogeneity. The lack of inactive clients' updates in partial client participation makes it more likely for the model aggregation to deviate from the aggregation based on full client participation. Training with large batches on individual clients is proposed to address data heterogeneity in general, but their effectiveness under partial client participation is not clear. Motivated by these challenges, we propose to develop a novel federated learning framework, referred to as FedAMD, for partial client participation. The core idea is anchor sampling, which separates partial participants into anchor and miner groups. Each client in the anchor group aims at the local bullseye with the gradient computation using a large batch. Guided by the bullseyes, clients in the miner group steer multiple near-optimal local updates using small batches and update the global model. By integrating the results of the two groups, FedAMD is able to accelerate the training process and improve the model performance. Measured by epsilon-approximation and compared to the state-of-the-art methods, FedAMD achieves the convergence by up to O(1/epsilon) fewer communication rounds under non-convex objectives. Empirical studies on real-world datasets validate the effectiveness of FedAMD and demonstrate the superiority of the proposed algorithm: Not only does it considerably save computation and communication costs, but also the test accuracy significantly improves.

In dynamic programming (DP) and reinforcement learning (RL), an agent learns to act optimally in terms of expected long-term return by sequentially interacting with its environment modeled by a Markov decision process (MDP). More generally in distributional reinforcement learning (DRL), the focus is on the whole distribution of the return, not just its expectation. Although DRL-based methods produced state-of-the-art performance in RL with function approximation, they involve additional quantities (compared to the non-distributional setting) that are still not well understood. As a first contribution, we introduce a new class of distributional operators, together with a practical DP algorithm for policy evaluation, that come with a robust MDP interpretation. Indeed, our approach reformulates through an augmented state space where each state is split into a worst-case substate and a best-case substate, whose values are maximized by safe and risky policies respectively. Finally, we derive distributional operators and DP algorithms solving a new control task: How to distinguish safe from risky optimal actions in order to break ties in the space of optimal policies?

We introduce a new family of particle evolution samplers suitable for constrained domains and non-Euclidean geometries. Stein Variational Mirror Descent and Mirrored Stein Variational Gradient Descent minimize the Kullback-Leibler (KL) divergence to constrained target distributions by evolving particles in a dual space defined by a mirror map. Stein Variational Natural Gradient exploits non-Euclidean geometry to more efficiently minimize the KL divergence to unconstrained targets. We derive these samplers from a new class of mirrored Stein operators and adaptive kernels developed in this work. We demonstrate that these new samplers yield accurate approximations to distributions on the simplex, deliver valid confidence intervals in post-selection inference, and converge more rapidly than prior methods in large-scale unconstrained posterior inference. Finally, we establish the convergence of our new procedures under verifiable conditions on the target distribution.

Large Language Models (LLMs) such as ChatGPT and LlaMA are advancing rapidly in generative Artificial Intelligence (AI), but their immense size poses significant challenges, such as huge training and inference costs, substantial energy demands, and limitations for on-site deployment. Traditional compression methods such as pruning, distillation, and low-rank approximation focus on reducing the effective number of neurons in the network, while quantization focuses on reducing the numerical precision of individual weights to reduce the model size while keeping the number of neurons fixed. While these compression methods have been relatively successful in practice, there is no compelling reason to believe that truncating the number of neurons is an optimal strategy. In this context, this paper introduces CompactifAI, an innovative LLM compression approach using quantum-inspired Tensor Networks that focuses on the model's correlation space instead, allowing for a more controlled, refined and interpretable model compression. Our method is versatile and can be implemented with - or on top of - other compression techniques. As a benchmark, we demonstrate that a combination of CompactifAI with quantization allows to reduce a 93% the memory size of LlaMA 7B, reducing also 70% the number of parameters, accelerating 50% the training and 25% the inference times of the model, and just with a small accuracy drop of 2% - 3%, going much beyond of what is achievable today by other compression techniques. Our methods also allow to perform a refined layer sensitivity profiling, showing that deeper layers tend to be more suitable for tensor network compression, which is compatible with recent observations on the ineffectiveness of those layers for LLM performance. Our results imply that standard LLMs are, in fact, heavily overparametrized, and do not need to be large at all.

Histograms provide a powerful means of summarizing large data sets by representing their distribution in a compact, binned form. The HistogramTools R package enhances R built-in histogram functionality, offering advanced methods for manipulating and analyzing histograms, especially in large-scale data environments. Key features include the ability to serialize histograms using Protocol Buffers for distributed computing tasks, tools for merging and modifying histograms, and techniques for measuring and visualizing information loss in histogram representations. The package is particularly suited for environments utilizing MapReduce, where efficient storage and data sharing are critical. This paper presents various methods of histogram bin manipulation, distance measures, quantile approximation, and error estimation in cumulative distribution functions (CDFs) derived from histograms. Visualization techniques and efficient storage representations are also discussed alongside applications for large data processing and distributed computing tasks.

Post-training has emerged as a crucial paradigm for adapting large-scale pre-trained models to various tasks, whose effects are fully reflected by delta parameters (i.e., the disparity between post-trained and pre-trained parameters). While numerous studies have explored delta parameter properties via operations like pruning, quantization, low-rank approximation, and extrapolation, a unified framework for systematically examining these characteristics has been lacking. In this paper, we propose a novel perspective based on Riemann sum approximation of the loss function to elucidate delta parameter editing operations. Our analysis categorizes existing methods into three classes based on their post-editing performance: competitive, decreased, and improved, explaining how they are expressed by the Riemann sum approximation term and how they alter the model performance. Extensive experiments on both visual and language models, including ViT, LLaMA 3, Qwen 2, and Mistral, corroborate our theoretical findings. Furthermore, we introduce extensions to existing techniques like DARE and BitDelta, highlighting their limitations in leveraging the properties of delta parameters and reorganizing them into general expressions to enhance the applicability and effectiveness of delta parameter editing in post-trained models.

Efficient long-sequence generation is a critical challenge for Large Language Models. While recent sparse decoding methods improve efficiency, they suffer from KV cache misalignment, where approximation errors accumulate and degrade generation quality. In this work, we propose Rectified Sparse Attention (ReSA), a simple yet effective method that combines block-sparse attention with periodic dense rectification. By refreshing the KV cache at fixed intervals using a dense forward pass, ReSA bounds error accumulation and preserves alignment with the pretraining distribution. Experiments across math reasoning, language modeling, and retrieval tasks demonstrate that ReSA achieves near-lossless generation quality with significantly improved efficiency. Notably, ReSA delivers up to 2.42times end-to-end speedup under decoding at 256K sequence length, making it a practical solution for scalable long-context inference. Code is available at https://aka.ms/ReSA-LM.

We propose Quantum-informed Tensor Adaptation (QuanTA), a novel, easy-to-implement, fine-tuning method with no inference overhead for large-scale pre-trained language models. By leveraging quantum-inspired methods derived from quantum circuit structures, QuanTA enables efficient high-rank fine-tuning, surpassing the limitations of Low-Rank Adaptation (LoRA)--low-rank approximation may fail for complicated downstream tasks. Our approach is theoretically supported by the universality theorem and the rank representation theorem to achieve efficient high-rank adaptations. Experiments demonstrate that QuanTA significantly enhances commonsense reasoning, arithmetic reasoning, and scalability compared to traditional methods. Furthermore, QuanTA shows superior performance with fewer trainable parameters compared to other approaches and can be designed to integrate with existing fine-tuning algorithms for further improvement, providing a scalable and efficient solution for fine-tuning large language models and advancing state-of-the-art in natural language processing.

In this paper, we present a pure-Python library called PyPop7 for black-box optimization (BBO). As population-based methods are becoming increasingly popular for BBO, our design goal is to provide a unified API and elegant implementations for them, particularly in high-dimensional cases. Since population-based methods suffer easily from the curse of dimensionality owing to their random sampling nature, various improvements have been proposed to alleviate this issue via exploiting possible problem structures: such as space decomposition, low-memory approximation, low-rank metric learning, variance reduction, ensemble of random subspaces, model self-adaptation, and smoothing. Now PyPop7 has covered these advances with >72 versions and variants of 13 BBO algorithm families from different research communities. Its open-source code and full-fledged documents are available at https://github.com/Evolutionary-Intelligence/pypop and https://pypop.readthedocs.io, respectively.

Video restoration (VR) aims to recover high-quality videos from degraded ones. Although recent zero-shot VR methods using pre-trained diffusion models (DMs) show good promise, they suffer from approximation errors during reverse diffusion and insufficient temporal consistency. Moreover, dealing with 3D video data, VR is inherently computationally intensive. In this paper, we advocate viewing the reverse process in DMs as a function and present a novel Maximum a Posterior (MAP) framework that directly parameterizes video frames in the seed space of DMs, eliminating approximation errors. We also introduce strategies to promote bilevel temporal consistency: semantic consistency by leveraging clustering structures in the seed space, and pixel-level consistency by progressive warping with optical flow refinements. Extensive experiments on multiple virtual reality tasks demonstrate superior visual quality and temporal consistency achieved by our method compared to the state-of-the-art.

Majorities of distillation methods on pre-trained diffusion models or on pre-trained rectified flow, focus on either the distillation outputs or the trajectories between random noises and clean images to speed up sample generations from pre-trained models. In those trajectory-based distillation methods, consistency distillation requires the self-consistent trajectory projection to regulate the trajectory, which might avoid the common ODE approximation error {while still be concerning about sampling efficiencies}. At the same time, rectified flow distillations enforce straight trajectory for fast sampling, although an ODE solver is still required. In this work, we propose a trajectory distillation method, \modelname, that enjoys the benefits of both and enables few-step generations. TraFlow adopts the settings of consistency trajectory models, and further enforces the properties of self-consistency and straightness throughout the entire trajectory. These two properties are pursued by reaching a balance with following three targets: (1) reconstruct the output from pre-trained models; (2) learn the amount of changes by pre-trained models; (3) satisfy the self-consistency over its trajectory. Extensive experimental results have shown the effectiveness of our proposed method.

Off-policy dynamic programming (DP) techniques such as Q-learning have proven to be important in sequential decision-making problems. In the presence of function approximation, however, these techniques often diverge due to the absence of Bellman completeness in the function classes considered, a crucial condition for the success of DP-based methods. In this paper, we show how off-policy learning techniques based on return-conditioned supervised learning (RCSL) are able to circumvent these challenges of Bellman completeness, converging under significantly more relaxed assumptions inherited from supervised learning. We prove there exists a natural environment in which if one uses two-layer multilayer perceptron as the function approximator, the layer width needs to grow linearly with the state space size to satisfy Bellman completeness while a constant layer width is enough for RCSL. These findings take a step towards explaining the superior empirical performance of RCSL methods compared to DP-based methods in environments with near-optimal datasets. Furthermore, in order to learn from sub-optimal datasets, we propose a simple framework called MBRCSL, granting RCSL methods the ability of dynamic programming to stitch together segments from distinct trajectories. MBRCSL leverages learned dynamics models and forward sampling to accomplish trajectory stitching while avoiding the need for Bellman completeness that plagues all dynamic programming algorithms. We propose both theoretical analysis and experimental evaluation to back these claims, outperforming state-of-the-art model-free and model-based offline RL algorithms across several simulated robotics problems.

Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product between a divergence function and the posterior. Current methods such as Deep Ensembles or MC dropout underperform at estimating the epistemic uncertainty, since they primarily consider the posterior when sampling models. We suggest Quantification of Uncertainty with Adversarial Models (QUAM) to better estimate the epistemic uncertainty. QUAM identifies regions where the whole product under the integral is large, not just the posterior. Consequently, QUAM has lower approximation error of the epistemic uncertainty compared to previous methods. Models for which the product is large correspond to adversarial models (not adversarial examples!). Adversarial models have both a high posterior as well as a high divergence between their predictions and that of a reference model. Our experiments show that QUAM excels in capturing epistemic uncertainty for deep learning models and outperforms previous methods on challenging tasks in the vision domain.

The Shapley value is arguably the most popular approach for assigning a meaningful contribution value to players in a cooperative game, which has recently been used intensively in explainable artificial intelligence. The meaningfulness is due to axiomatic properties that only the Shapley value satisfies, which, however, comes at the expense of an exact computation growing exponentially with the number of agents. Accordingly, a number of works are devoted to the efficient approximation of the Shapley values, most of them revolve around the notion of an agent's marginal contribution. In this paper, we propose with SVARM and Stratified SVARM two parameter-free and domain-independent approximation algorithms based on a representation of the Shapley value detached from the notion of marginal contributions. We prove unmatched theoretical guarantees regarding their approximation quality and provide empirical results including synthetic games as well as common explainability use cases comparing ourselves with state-of-the-art methods.

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

The growing computational demands of large language models (LLMs) make efficient inference and activation strategies increasingly critical. While recent approaches, such as Mixture-of-Experts (MoE), leverage selective activation but require specialized training, training-free sparse activation methods offer broader applicability and superior resource efficiency through their plug-and-play design. However, many existing methods rely solely on hidden state magnitudes to determine activation, resulting in high approximation errors and suboptimal inference accuracy. To address these limitations, we propose WINA (Weight Informed Neuron Activation), a novel, simple, and training-free sparse activation framework that jointly considers hidden state magnitudes and the column-wise ell_2-norms of weight matrices. We show that this leads to a sparsification strategy that obtains optimal approximation error bounds with theoretical guarantees tighter than existing techniques. Empirically, WINA also outperforms state-of-the-art methods (e.g., TEAL) by up to 2.94% in average performance at the same sparsity levels, across a diverse set of LLM architectures and datasets. These results position WINA as a new performance frontier for training-free sparse activation in LLM inference, advancing training-free sparse activation methods and setting a robust baseline for efficient inference. The source code is available at https://github.com/microsoft/wina.

Monte Carlo (MC) integration has been employed as the standard approximation method for the Sliced Wasserstein (SW) distance, whose analytical expression involves an intractable expectation. However, MC integration is not optimal in terms of absolute approximation error. To provide a better class of empirical SW, we propose quasi-sliced Wasserstein (QSW) approximations that rely on Quasi-Monte Carlo (QMC) methods. For a comprehensive investigation of QMC for SW, we focus on the 3D setting, specifically computing the SW between probability measures in three dimensions. In greater detail, we empirically evaluate various methods to construct QMC point sets on the 3D unit-hypersphere, including the Gaussian-based and equal area mappings, generalized spiral points, and optimizing discrepancy energies. Furthermore, to obtain an unbiased estimator for stochastic optimization, we extend QSW to Randomized Quasi-Sliced Wasserstein (RQSW) by introducing randomness in the discussed point sets. Theoretically, we prove the asymptotic convergence of QSW and the unbiasedness of RQSW. Finally, we conduct experiments on various 3D tasks, such as point-cloud comparison, point-cloud interpolation, image style transfer, and training deep point-cloud autoencoders, to demonstrate the favorable performance of the proposed QSW and RQSW variants.

Sampling from the posterior distribution poses a major computational challenge in solving inverse problems using latent diffusion models. Common methods rely on Tweedie's first-order moments, which are known to induce a quality-limiting bias. Existing second-order approximations are impractical due to prohibitive computational costs, making standard reverse diffusion processes intractable for posterior sampling. This paper introduces Second-order Tweedie sampler from Surrogate Loss (STSL), a novel sampler that offers efficiency comparable to first-order Tweedie with a tractable reverse process using second-order approximation. Our theoretical results reveal that the second-order approximation is lower bounded by our surrogate loss that only requires O(1) compute using the trace of the Hessian, and by the lower bound we derive a new drift term to make the reverse process tractable. Our method surpasses SoTA solvers PSLD and P2L, achieving 4X and 8X reduction in neural function evaluations, respectively, while notably enhancing sampling quality on FFHQ, ImageNet, and COCO benchmarks. In addition, we show STSL extends to text-guided image editing and addresses residual distortions present from corrupted images in leading text-guided image editing methods. To our best knowledge, this is the first work to offer an efficient second-order approximation in solving inverse problems using latent diffusion and editing real-world images with corruptions.

COMpression with Bayesian Implicit NEural Representations (COMBINER) is a recent data compression method that addresses a key inefficiency of previous Implicit Neural Representation (INR)-based approaches: it avoids quantization and enables direct optimization of the rate-distortion performance. However, COMBINER still has significant limitations: 1) it uses factorized priors and posterior approximations that lack flexibility; 2) it cannot effectively adapt to local deviations from global patterns in the data; and 3) its performance can be susceptible to modeling choices and the variational parameters' initializations. Our proposed method, Robust and Enhanced COMBINER (RECOMBINER), addresses these issues by 1) enriching the variational approximation while retaining a low computational cost via a linear reparameterization of the INR weights, 2) augmenting our INRs with learnable positional encodings that enable them to adapt to local details and 3) splitting high-resolution data into patches to increase robustness and utilizing expressive hierarchical priors to capture dependency across patches. We conduct extensive experiments across several data modalities, showcasing that RECOMBINER achieves competitive results with the best INR-based methods and even outperforms autoencoder-based codecs on low-resolution images at low bitrates. Our PyTorch implementation is available at https://github.com/cambridge-mlg/RECOMBINER/.

Recent reinforcement learning (RL) methods have achieved success in various domains. However, multi-agent RL (MARL) remains a challenge in terms of decentralization, partial observability and scalability to many agents. Meanwhile, collective behavior requires resolution of the aforementioned challenges, and remains of importance to many state-of-the-art applications such as active matter physics, self-organizing systems, opinion dynamics, and biological or robotic swarms. Here, MARL via mean field control (MFC) offers a potential solution to scalability, but fails to consider decentralized and partially observable systems. In this paper, we enable decentralized behavior of agents under partial information by proposing novel models for decentralized partially observable MFC (Dec-POMFC), a broad class of problems with permutation-invariant agents allowing for reduction to tractable single-agent Markov decision processes (MDP) with single-agent RL solution. We provide rigorous theoretical results, including a dynamic programming principle, together with optimality guarantees for Dec-POMFC solutions applied to finite swarms of interest. Algorithmically, we propose Dec-POMFC-based policy gradient methods for MARL via centralized training and decentralized execution, together with policy gradient approximation guarantees. In addition, we improve upon state-of-the-art histogram-based MFC by kernel methods, which is of separate interest also for fully observable MFC. We evaluate numerically on representative collective behavior tasks such as adapted Kuramoto and Vicsek swarming models, being on par with state-of-the-art MARL. Overall, our framework takes a step towards RL-based engineering of artificial collective behavior via MFC.

Asymmetrical distance structures (quasimetrics) are ubiquitous in our lives and are gaining more attention in machine learning applications. Imposing such quasimetric structures in model representations has been shown to improve many tasks, including reinforcement learning (RL) and causal relation learning. In this work, we present four desirable properties in such quasimetric models, and show how prior works fail at them. We propose Interval Quasimetric Embedding (IQE), which is designed to satisfy all four criteria. On three quasimetric learning experiments, IQEs show strong approximation and generalization abilities, leading to better performance and improved efficiency over prior methods. Project Page: https://www.tongzhouwang.info/interval_quasimetric_embedding Quasimetric Learning Code Package: https://www.github.com/quasimetric-learning/torch-quasimetric

Motor impairments, frequently caused by neurological incidents like strokes or traumatic brain injuries, present substantial obstacles in rehabilitation therapy. This research aims to elevate the field by optimizing motor imagery classification algorithms within Brain-Computer Interfaces (BCIs). By improving the efficiency of BCIs, we offer a novel approach that holds significant promise for enhancing motor rehabilitation outcomes. Utilizing unsupervised techniques for dimensionality reduction, namely Uniform Manifold Approximation and Projection (UMAP) coupled with K-Nearest Neighbors (KNN), we evaluate the necessity of employing supervised methods such as Long Short-Term Memory (LSTM) and Convolutional Neural Networks (CNNs) for classification tasks. Importantly, participants who exhibited high KNN scores following UMAP dimensionality reduction also achieved high accuracy in supervised deep learning (DL) models. Due to individualized model requirements and massive neural training data, dimensionality reduction becomes an effective preprocessing step that minimizes the need for extensive data labeling and supervised deep learning techniques. This approach has significant implications not only for targeted therapies in motor dysfunction but also for addressing regulatory, safety, and reliability concerns in the rapidly evolving BCI field.

Posterior sampling, i.e., exponential mechanism to sample from the posterior distribution, provides varepsilon-pure differential privacy (DP) guarantees and does not suffer from potentially unbounded privacy breach introduced by (varepsilon,delta)-approximate DP. In practice, however, one needs to apply approximate sampling methods such as Markov chain Monte Carlo (MCMC), thus re-introducing the unappealing delta-approximation error into the privacy guarantees. To bridge this gap, we propose the Approximate SAample Perturbation (abbr. ASAP) algorithm which perturbs an MCMC sample with noise proportional to its Wasserstein-infinity (W_infty) distance from a reference distribution that satisfies pure DP or pure Gaussian DP (i.e., delta=0). We then leverage a Metropolis-Hastings algorithm to generate the sample and prove that the algorithm converges in W_infty distance. We show that by combining our new techniques with a careful localization step, we obtain the first nearly linear-time algorithm that achieves the optimal rates in the DP-ERM problem with strongly convex and smooth losses.

Image inpainting refers to the task of generating a complete, natural image based on a partially revealed reference image. Recently, many research interests have been focused on addressing this problem using fixed diffusion models. These approaches typically directly replace the revealed region of the intermediate or final generated images with that of the reference image or its variants. However, since the unrevealed regions are not directly modified to match the context, it results in incoherence between revealed and unrevealed regions. To address the incoherence problem, a small number of methods introduce a rigorous Bayesian framework, but they tend to introduce mismatches between the generated and the reference images due to the approximation errors in computing the posterior distributions. In this paper, we propose COPAINT, which can coherently inpaint the whole image without introducing mismatches. COPAINT also uses the Bayesian framework to jointly modify both revealed and unrevealed regions, but approximates the posterior distribution in a way that allows the errors to gradually drop to zero throughout the denoising steps, thus strongly penalizing any mismatches with the reference image. Our experiments verify that COPAINT can outperform the existing diffusion-based methods under both objective and subjective metrics. The codes are available at https://github.com/UCSB-NLP-Chang/CoPaint/.

Advanced applied mathematics problems are underrepresented in existing Large Language Model (LLM) benchmark datasets. To address this, we introduce HARDMath, a dataset inspired by a graduate course on asymptotic methods, featuring challenging applied mathematics problems that require analytical approximation techniques. These problems demand a combination of mathematical reasoning, computational tools, and subjective judgment, making them difficult for LLMs. Our framework auto-generates a large number of problems with solutions validated against numerical ground truths. We evaluate both open- and closed-source LLMs on HARDMath-mini, a sub-sampled test set of 366 problems, as well as on 40 word problems formulated in applied science contexts. Even leading closed-source models like GPT-4 achieve only 43.8% overall accuracy with few-shot Chain-of-Thought prompting, and all models demonstrate significantly lower performance compared to results on existing mathematics benchmark datasets. We additionally conduct a detailed error analysis to gain insights into the failure cases of LLMs. These results demonstrate limitations of current LLM performance on advanced graduate-level applied math problems and underscore the importance of datasets like HARDMath to advance mathematical abilities of LLMs.

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

In this paper we study the out-of-equilibrium phase diagram of the quantum version of Derrida's Random Energy Model, which is the simplest model of mean-field spin glasses. We interpret its corresponding quantum dynamics in Fock space as a one-particle problem in very high dimension to which we apply different theoretical methods tailored for high-dimensional lattices: the Forward-Scattering Approximation, a mapping to the Rosenzweig-Porter model, and the cavity method. Our results indicate the existence of two transition lines and three distinct dynamical phases: a completely many-body localized phase at low energy, a fully ergodic phase at high energy, and a multifractal "bad metal" phase at intermediate energy. In the latter, eigenfunctions occupy a diverging volume, yet an exponentially vanishing fraction of the total Hilbert space. We discuss the limitations of our approximations and the relationship with previous studies.

We derive a Fast Multipole Method (FMM) where a low-rank approximation of the kernel is obtained using the Empirical Interpolation Method (EIM). Contrary to classical interpolation-based FMM, where the interpolation points and basis are fixed beforehand, the EIM is a nonlinear approximation method which constructs interpolation points and basis which are adapted to the kernel under consideration. The basis functions are obtained using evaluations of the kernel itself. We restrict ourselves to translation-invariant kernels, for which a modified version of the EIM approximation can be used in a multilevel FMM context; we call the obtained algorithm Empirical Interpolation Fast Multipole Method (EIFMM). An important feature of the EIFMM is a built-in error estimation of the interpolation error made by the low-rank approximation of the far-field behavior of the kernel: the algorithm selects the optimal number of interpolation points required to ensure a given accuracy for the result, leading to important gains for inhomogeneous kernels.

Large language models (LLMs) have had a profound impact on numerous aspects of daily life including natural language processing, content generation, research methodologies and so on. However, one crucial issue concerning the inference results of large language models is security and privacy. In many scenarios, the results generated by LLMs could possibly leak many confidential or copyright information. A recent beautiful and breakthrough work [Vyas, Kakade and Barak 2023] focus on such privacy issue of the LLMs from theoretical perspective. It is well-known that computing the attention matrix is one of the major task during the LLMs computation. Thus, how to give a provable privately guarantees of computing the attention matrix is an important research direction. Previous work [Alman and Song 2023, Brand, Song and Zhou 2023] have proposed provable tight result for fast computation of attention without considering privacy concerns. One natural mathematical formulation to quantity the privacy in theoretical computer science graduate school textbook is differential privacy. Inspired by [Vyas, Kakade and Barak 2023], in this work, we provide a provable result for showing how to differentially private approximate the attention matrix. From technique perspective, our result replies on a pioneering work in the area of differential privacy by [Alabi, Kothari, Tankala, Venkat and Zhang 2022].

KV cache stores key and value states from previous tokens to avoid re-computation, yet it demands substantial storage space, especially for long sequences. Adaptive KV cache compression seeks to discern the saliency of tokens, preserving vital information while aggressively compressing those of less importance. However, previous methods of this approach exhibit significant performance degradation at high compression ratios due to inaccuracies in identifying salient tokens. In this paper, we present ZipCache, an accurate and efficient KV cache quantization method for LLMs. First, we construct a strong baseline for quantizing KV cache. Through the proposed channel-separable tokenwise quantization scheme, the memory overhead of quantization parameters are substantially reduced compared to fine-grained groupwise quantization. To enhance the compression ratio, we propose normalized attention score as an effective metric for identifying salient tokens by considering the lower triangle characteristics of the attention matrix. Moreover, we develop an efficient approximation method that decouples the saliency metric from full attention scores, enabling compatibility with fast attention implementations like FlashAttention. Extensive experiments demonstrate that ZipCache achieves superior compression ratios, fast generation speed and minimal performance losses compared with previous KV cache compression methods. For instance, when evaluating Mistral-7B model on GSM8k dataset, ZipCache is capable of compressing the KV cache by 4.98times, with only a 0.38% drop in accuracy. In terms of efficiency, ZipCache also showcases a 37.3% reduction in prefill-phase latency, a 56.9% reduction in decoding-phase latency, and a 19.8% reduction in GPU memory usage when evaluating LLaMA3-8B model with a input length of 4096.

This paper introduces Uniform Orthogonal Reinitialization Adaptation (UORA), a novel parameter-efficient fine-tuning (PEFT) approach for Large Language Models (LLMs). UORA achieves state-of-the-art performance and parameter efficiency by leveraging a low-rank approximation method to reduce the number of trainable parameters. Unlike existing methods such as LoRA and VeRA, UORA employs an interpolation-based reparametrization mechanism that selectively reinitializes rows and columns in frozen projection matrices, guided by the vector magnitude heuristic. This results in substantially fewer trainable parameters compared to LoRA and outperforms VeRA in computation and storage efficiency. Comprehensive experiments across various benchmarks demonstrate UORA's superiority in achieving competitive fine-tuning performance with negligible computational overhead. We demonstrate its performance on GLUE and E2E benchmarks and its effectiveness in instruction-tuning large language models and image classification models. Our contributions establish a new paradigm for scalable and resource-efficient fine-tuning of LLMs.

Quantifying the impact of training data points is crucial for understanding the outputs of machine learning models and for improving the transparency of the AI pipeline. The influence function is a principled and popular data attribution method, but its computational cost often makes it challenging to use. This issue becomes more pronounced in the setting of large language models and text-to-image models. In this work, we propose DataInf, an efficient influence approximation method that is practical for large-scale generative AI models. Leveraging an easy-to-compute closed-form expression, DataInf outperforms existing influence computation algorithms in terms of computational and memory efficiency. Our theoretical analysis shows that DataInf is particularly well-suited for parameter-efficient fine-tuning techniques such as LoRA. Through systematic empirical evaluations, we show that DataInf accurately approximates influence scores and is orders of magnitude faster than existing methods. In applications to RoBERTa-large, Llama-2-13B-chat, and stable-diffusion-v1.5 models, DataInf effectively identifies the most influential fine-tuning examples better than other approximate influence scores. Moreover, it can help to identify which data points are mislabeled.

We introduce a new class of algorithms, Stochastic Generalized Method of Moments (SGMM), for estimation and inference on (overidentified) moment restriction models. Our SGMM is a novel stochastic approximation alternative to the popular Hansen (1982) (offline) GMM, and offers fast and scalable implementation with the ability to handle streaming datasets in real time. We establish the almost sure convergence, and the (functional) central limit theorem for the inefficient online 2SLS and the efficient SGMM. Moreover, we propose online versions of the Durbin-Wu-Hausman and Sargan-Hansen tests that can be seamlessly integrated within the SGMM framework. Extensive Monte Carlo simulations show that as the sample size increases, the SGMM matches the standard (offline) GMM in terms of estimation accuracy and gains over computational efficiency, indicating its practical value for both large-scale and online datasets. We demonstrate the efficacy of our approach by a proof of concept using two well known empirical examples with large sample sizes.