Daily Papers

Diffusion models achieve remarkable generation quality but suffer from computational intensive sampling due to suboptimal step discretization. While existing works focus on optimizing denoising directions, we address the principled design of stepsize schedules. This paper proposes Optimal Stepsize Distillation, a dynamic programming framework that extracts theoretically optimal schedules by distilling knowledge from reference trajectories. By reformulating stepsize optimization as recursive error minimization, our method guarantees global discretization bounds through optimal substructure exploitation. Crucially, the distilled schedules demonstrate strong robustness across architectures, ODE solvers, and noise schedules. Experiments show 10x accelerated text-to-image generation while preserving 99.4% performance on GenEval. Our code is available at https://github.com/bebebe666/OptimalSteps.

Flow matching is a powerful framework for generating high-quality samples in various applications, especially image synthesis. However, the intensive computational demands of these models, especially during the fine-tuning process and sampling processes, pose significant challenges for low-resource scenarios. This paper introduces Bellman Optimal Step-size Straightening (BOSS) technique for distilling flow-matching generative models: it aims specifically for a few-step efficient image sampling while adhering to a computational budget constraint. First, this technique involves a dynamic programming algorithm that optimizes the step sizes of the pretrained network. Then, it refines the velocity network to match the optimal step sizes, aiming to straighten the generation paths. Extensive experimental evaluations across image generation tasks demonstrate the efficacy of BOSS in terms of both resource utilization and image quality. Our results reveal that BOSS achieves substantial gains in efficiency while maintaining competitive sample quality, effectively bridging the gap between low-resource constraints and the demanding requirements of flow-matching generative models. Our paper also fortifies the responsible development of artificial intelligence, offering a more sustainable generative model that reduces computational costs and environmental footprints. Our code can be found at https://github.com/nguyenngocbaocmt02/BOSS.

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

Autonomous agents powered by multimodal large language models have been developed to facilitate task execution on mobile devices. However, prior work has predominantly focused on atomic tasks -- such as shot-chain execution tasks and single-screen grounding tasks -- while overlooking the generalization to compositional tasks, which are indispensable for real-world applications. This work introduces UI-NEXUS, a comprehensive benchmark designed to evaluate mobile agents on three categories of compositional operations: Simple Concatenation, Context Transition, and Deep Dive. UI-NEXUS supports interactive evaluation in 20 fully controllable local utility app environments, as well as 30 online Chinese and English service apps. It comprises 100 interactive task templates with an average optimal step count of 14.05. Experimental results across a range of mobile agents with agentic workflow or agent-as-a-model show that UI-NEXUS presents significant challenges. Specifically, existing agents generally struggle to balance performance and efficiency, exhibiting representative failure modes such as under-execution, over-execution, and attention drift, causing visible atomic-to-compositional generalization gap. Inspired by these findings, we propose AGENT-NEXUS, a lightweight and efficient scheduling system to tackle compositional mobile tasks. AGENT-NEXUS extrapolates the abilities of existing mobile agents by dynamically decomposing long-horizon tasks to a series of self-contained atomic subtasks. AGENT-NEXUS achieves 24% to 40% task success rate improvement for existing mobile agents on compositional operation tasks within the UI-NEXUS benchmark without significantly sacrificing inference overhead. The demo video, dataset, and code are available on the project page at https://ui-nexus.github.io.

Federated learning (FL) allows training machine learning models on distributed data without compromising privacy. However, FL is vulnerable to model-poisoning attacks where malicious clients tamper with their local models to manipulate the global model. In this work, we investigate the resilience of the partial-sharing online FL (PSO-Fed) algorithm against such attacks. PSO-Fed reduces communication overhead by allowing clients to share only a fraction of their model updates with the server. We demonstrate that this partial sharing mechanism has the added advantage of enhancing PSO-Fed's robustness to model-poisoning attacks. Through theoretical analysis, we show that PSO-Fed maintains convergence even under Byzantine attacks, where malicious clients inject noise into their updates. Furthermore, we derive a formula for PSO-Fed's mean square error, considering factors like stepsize, attack probability, and the number of malicious clients. Interestingly, we find a non-trivial optimal stepsize that maximizes PSO-Fed's resistance to these attacks. Extensive numerical experiments confirm our theoretical findings and showcase PSO-Fed's superior performance against model-poisoning attacks compared to other leading FL algorithms.

Morphing attacks are an emerging threat to state-of-the-art Face Recognition (FR) systems, which aim to create a single image that contains the biometric information of multiple identities. Diffusion Morphs (DiM) are a recently proposed morphing attack that has achieved state-of-the-art performance for representation-based morphing attacks. However, none of the existing research on DiMs have leveraged the iterative nature of DiMs and left the DiM model as a black box, treating it no differently than one would a Generative Adversarial Network (GAN) or Varational AutoEncoder (VAE). We propose a greedy strategy on the iterative sampling process of DiM models which searches for an optimal step guided by an identity-based heuristic function. We compare our proposed algorithm against ten other state-of-the-art morphing algorithms using the open-source SYN-MAD 2022 competition dataset. We find that our proposed algorithm is unreasonably effective, fooling all of the tested FR systems with an MMPMR of 100%, outperforming all other morphing algorithms compared.

Diffusion models are emerging expressive generative models, in which a large number of time steps (inference steps) are required for a single image generation. To accelerate such tedious process, reducing steps uniformly is considered as an undisputed principle of diffusion models. We consider that such a uniform assumption is not the optimal solution in practice; i.e., we can find different optimal time steps for different models. Therefore, we propose to search the optimal time steps sequence and compressed model architecture in a unified framework to achieve effective image generation for diffusion models without any further training. Specifically, we first design a unified search space that consists of all possible time steps and various architectures. Then, a two stage evolutionary algorithm is introduced to find the optimal solution in the designed search space. To further accelerate the search process, we employ FID score between generated and real samples to estimate the performance of the sampled examples. As a result, the proposed method is (i).training-free, obtaining the optimal time steps and model architecture without any training process; (ii). orthogonal to most advanced diffusion samplers and can be integrated to gain better sample quality. (iii). generalized, where the searched time steps and architectures can be directly applied on different diffusion models with the same guidance scale. Experimental results show that our method achieves excellent performance by using only a few time steps, e.g. 17.86 FID score on ImageNet 64 times 64 with only four steps, compared to 138.66 with DDIM. The code is available at https://github.com/lilijiangg/AutoDiffusion.

Large Language Models (LLMs) have demonstrated impressive capability in many nature language tasks. However, the auto-regressive generation process makes LLMs prone to produce errors, hallucinations and inconsistent statements when performing multi-step reasoning. In this paper, we aim to alleviate the pathology by introducing Q*, a general, versatile and agile framework for guiding LLMs decoding process with deliberative planning. By learning a plug-and-play Q-value model as heuristic function, our Q* can effectively guide LLMs to select the most promising next step without fine-tuning LLMs for each task, which avoids the significant computational overhead and potential risk of performance degeneration on other tasks. Extensive experiments on GSM8K, MATH and MBPP confirm the superiority of our method.

Owing to the robust priors of diffusion models, recent approaches have shown promise in addressing real-world super-resolution (Real-SR). However, achieving semantic consistency and perceptual naturalness to meet human perception demands remains difficult, especially under conditions of heavy degradation and varied input complexities. To tackle this, we propose Hero-SR, a one-step diffusion-based SR framework explicitly designed with human perception priors. Hero-SR consists of two novel modules: the Dynamic Time-Step Module (DTSM), which adaptively selects optimal diffusion steps for flexibly meeting human perceptual standards, and the Open-World Multi-modality Supervision (OWMS), which integrates guidance from both image and text domains through CLIP to improve semantic consistency and perceptual naturalness. Through these modules, Hero-SR generates high-resolution images that not only preserve intricate details but also reflect human perceptual preferences. Extensive experiments validate that Hero-SR achieves state-of-the-art performance in Real-SR. The code will be publicly available upon paper acceptance.

By comparing the original and target prompts in editing task, we can obtain numerous editing pairs, each comprising an object and its corresponding editing target. To allow editability while maintaining fidelity to the input image, existing editing methods typically involve a fixed number of inversion steps that project the whole input image to its noisier latent representation, followed by a denoising process guided by the target prompt. However, we find that the optimal number of inversion steps for achieving ideal editing results varies significantly among different editing pairs, owing to varying editing difficulties. Therefore, the current literature, which relies on a fixed number of inversion steps, produces sub-optimal generation quality, especially when handling multiple editing pairs in a natural image. To this end, we propose a new image editing paradigm, dubbed Object-aware Inversion and Reassembly (OIR), to enable object-level fine-grained editing. Specifically, we design a new search metric, which determines the optimal inversion steps for each editing pair, by jointly considering the editability of the target and the fidelity of the non-editing region. We use our search metric to find the optimal inversion step for each editing pair when editing an image. We then edit these editing pairs separately to avoid concept mismatch. Subsequently, we propose an additional reassembly step to seamlessly integrate the respective editing results and the non-editing region to obtain the final edited image. To systematically evaluate the effectiveness of our method, we collect two datasets for benchmarking single- and multi-object editing, respectively. Experiments demonstrate that our method achieves superior performance in editing object shapes, colors, materials, categories, etc., especially in multi-object editing scenarios.

Event-based cameras are attracting significant interest as they provide rich edge information, high dynamic range, and high temporal resolution. Many state-of-the-art event-based algorithms rely on splitting the events into fixed groups, resulting in the omission of crucial temporal information, particularly when dealing with diverse motion scenarios (\eg, high/low speed).In this work, we propose SpikeSlicer, a novel-designed plug-and-play event processing method capable of splitting events stream adaptively.SpikeSlicer utilizes a low-energy spiking neural network (SNN) to trigger event slicing. To guide the SNN to fire spikes at optimal time steps, we propose the Spiking Position-aware Loss (SPA-Loss) to modulate the neuron's state. Additionally, we develop a Feedback-Update training strategy that refines the slicing decisions using feedback from the downstream artificial neural network (ANN). Extensive experiments demonstrate that our method yields significant performance improvements in event-based object tracking and recognition. Notably, SpikeSlicer provides a brand-new SNN-ANN cooperation paradigm, where the SNN acts as an efficient, low-energy data processor to assist the ANN in improving downstream performance, injecting new perspectives and potential avenues of exploration.

Large-scale Vision-Language Models (VLMs) exhibit impressive complex reasoning capabilities but remain largely unexplored in visual sequential planning, i.e., executing multi-step actions towards a goal. Additionally, practical sequential planning often involves non-optimal (erroneous) steps, challenging VLMs to detect and correct such steps. We propose Corrective Sequential Planning Benchmark (CoSPlan) to evaluate VLMs in error-prone, vision-based sequential planning tasks across 4 domains: maze navigation, block rearrangement, image reconstruction,and object reorganization. CoSPlan assesses two key abilities: Error Detection (identifying non-optimal action) and Step Completion (correcting and completing action sequences to reach the goal). Despite using state-of-the-art reasoning techniques such as Chain-of-Thought and Scene Graphs, VLMs (e.g. Intern-VLM and Qwen2) struggle on CoSPlan, failing to leverage contextual cues to reach goals. Addressing this, we propose a novel training-free method, Scene Graph Incremental updates (SGI), which introduces intermediate reasoning steps between the initial and goal states. SGI helps VLMs reason about sequences, yielding an average performance gain of 5.2%. In addition to enhancing reliability in corrective sequential planning, SGI generalizes to traditional planning tasks such as Plan-Bench and VQA.

Recently, research on denoising diffusion models has expanded its application to the field of image restoration. Traditional diffusion-based image restoration methods utilize degraded images as conditional input to effectively guide the reverse generation process, without modifying the original denoising diffusion process. However, since the degraded images already include low-frequency information, starting from Gaussian white noise will result in increased sampling steps. We propose Resfusion, a general framework that incorporates the residual term into the diffusion forward process, starting the reverse process directly from the noisy degraded images. The form of our inference process is consistent with the DDPM. We introduced a weighted residual noise, named resnoise, as the prediction target and explicitly provide the quantitative relationship between the residual term and the noise term in resnoise. By leveraging a smooth equivalence transformation, Resfusion determine the optimal acceleration step and maintains the integrity of existing noise schedules, unifying the training and inference processes. The experimental results demonstrate that Resfusion exhibits competitive performance on ISTD dataset, LOL dataset and Raindrop dataset with only five sampling steps. Furthermore, Resfusion can be easily applied to image generation and emerges with strong versatility. Our code and model are available at https://github.com/nkicsl/Resfusion.

Diffusion models based on permutation-equivariant networks can learn permutation-invariant distributions for graph data. However, in comparison to their non-invariant counterparts, we have found that these invariant models encounter greater learning challenges since 1) their effective target distributions exhibit more modes; 2) their optimal one-step denoising scores are the score functions of Gaussian mixtures with more components. Motivated by this analysis, we propose a non-invariant diffusion model, called SwinGNN, which employs an efficient edge-to-edge 2-WL message passing network and utilizes shifted window based self-attention inspired by SwinTransformers. Further, through systematic ablations, we identify several critical training and sampling techniques that significantly improve the sample quality of graph generation. At last, we introduce a simple post-processing trick, i.e., randomly permuting the generated graphs, which provably converts any graph generative model to a permutation-invariant one. Extensive experiments on synthetic and real-world protein and molecule datasets show that our SwinGNN achieves state-of-the-art performances. Our code is released at https://github.com/qiyan98/SwinGNN.

Reasoning is an essential capacity for large language models (LLMs) to address complex tasks, where the identification of process errors is vital for improving this ability. Recently, process-level reward models (PRMs) were proposed to provide step-wise rewards that facilitate reinforcement learning and data production during training and guide LLMs toward correct steps during inference, thereby improving reasoning accuracy. However, existing benchmarks of PRMs are text-based and focus on error detection, neglecting other scenarios like reasoning search. To address this gap, we introduce MPBench, a comprehensive, multi-task, multimodal benchmark designed to systematically assess the effectiveness of PRMs in diverse scenarios. MPBench employs three evaluation paradigms, each targeting a specific role of PRMs in the reasoning process: (1) Step Correctness, which assesses the correctness of each intermediate reasoning step; (2) Answer Aggregation, which aggregates multiple solutions and selects the best one; and (3) Reasoning Process Search, which guides the search for optimal reasoning steps during inference. Through these paradigms, MPBench makes comprehensive evaluations and provides insights into the development of multimodal PRMs.

Recent works have empirically analyzed in-context learning and shown that transformers trained on synthetic linear regression tasks can learn to implement ridge regression, which is the Bayes-optimal predictor, given sufficient capacity [Aky\"urek et al., 2023], while one-layer transformers with linear self-attention and no MLP layer will learn to implement one step of gradient descent (GD) on a least-squares linear regression objective [von Oswald et al., 2022]. However, the theory behind these observations remains poorly understood. We theoretically study transformers with a single layer of linear self-attention, trained on synthetic noisy linear regression data. First, we mathematically show that when the covariates are drawn from a standard Gaussian distribution, the one-layer transformer which minimizes the pre-training loss will implement a single step of GD on the least-squares linear regression objective. Then, we find that changing the distribution of the covariates and weight vector to a non-isotropic Gaussian distribution has a strong impact on the learned algorithm: the global minimizer of the pre-training loss now implements a single step of pre-conditioned GD. However, if only the distribution of the responses is changed, then this does not have a large effect on the learned algorithm: even when the response comes from a more general family of nonlinear functions, the global minimizer of the pre-training loss still implements a single step of GD on a least-squares linear regression objective.

We study the design of sample-efficient algorithms for reinforcement learning in the presence of rich, high-dimensional observations, formalized via the Block MDP problem. Existing algorithms suffer from either 1) computational intractability, 2) strong statistical assumptions that are not necessarily satisfied in practice, or 3) suboptimal sample complexity. We address these issues by providing the first computationally efficient algorithm that attains rate-optimal sample complexity with respect to the desired accuracy level, with minimal statistical assumptions. Our algorithm, MusIK, combines systematic exploration with representation learning based on multi-step inverse kinematics, a learning objective in which the aim is to predict the learner's own action from the current observation and observations in the (potentially distant) future. MusIK is simple and flexible, and can efficiently take advantage of general-purpose function approximation. Our analysis leverages several new techniques tailored to non-optimistic exploration algorithms, which we anticipate will find broader use.

AI and reinforcement learning (RL) have improved many areas, but are not yet widely adopted in economic policy design, mechanism design, or economics at large. At the same time, current economic methodology is limited by a lack of counterfactual data, simplistic behavioral models, and limited opportunities to experiment with policies and evaluate behavioral responses. Here we show that machine-learning-based economic simulation is a powerful policy and mechanism design framework to overcome these limitations. The AI Economist is a two-level, deep RL framework that trains both agents and a social planner who co-adapt, providing a tractable solution to the highly unstable and novel two-level RL challenge. From a simple specification of an economy, we learn rational agent behaviors that adapt to learned planner policies and vice versa. We demonstrate the efficacy of the AI Economist on the problem of optimal taxation. In simple one-step economies, the AI Economist recovers the optimal tax policy of economic theory. In complex, dynamic economies, the AI Economist substantially improves both utilitarian social welfare and the trade-off between equality and productivity over baselines. It does so despite emergent tax-gaming strategies, while accounting for agent interactions and behavioral change more accurately than economic theory. These results demonstrate for the first time that two-level, deep RL can be used for understanding and as a complement to theory for economic design, unlocking a new computational learning-based approach to understanding economic policy.

We consider algorithms for learning reward functions from human preferences over pairs of trajectory segments, as used in reinforcement learning from human feedback (RLHF). Most recent work assumes that human preferences are generated based only upon the reward accrued within those segments, or their partial return. Recent work casts doubt on the validity of this assumption, proposing an alternative preference model based upon regret. We investigate the consequences of assuming preferences are based upon partial return when they actually arise from regret. We argue that the learned function is an approximation of the optimal advantage function, A^*_r, not a reward function. We find that if a specific pitfall is addressed, this incorrect assumption is not particularly harmful, resulting in a highly shaped reward function. Nonetheless, this incorrect usage of A^*_r is less desirable than the appropriate and simpler approach of greedy maximization of A^*_r. From the perspective of the regret preference model, we also provide a clearer interpretation of fine tuning contemporary large language models with RLHF. This paper overall provides insight regarding why learning under the partial return preference model tends to work so well in practice, despite it conforming poorly to how humans give preferences.

Lattice-based planning techniques simplify the motion planning problem for autonomous vehicles by limiting available motions to a pre-computed set of primitives. These primitives are then combined online to generate more complex maneuvers. A set of motion primitives t-span a lattice if, given a real number t at least 1, any configuration in the lattice can be reached via a sequence of motion primitives whose cost is no more than a factor of t from optimal. Computing a minimal t-spanning set balances a trade-off between computed motion quality and motion planning performance. In this work, we formulate this problem for an arbitrary lattice as a mixed integer linear program. We also propose an A*-based algorithm to solve the motion planning problem using these primitives. Finally, we present an algorithm that removes the excessive oscillations from planned motions -- a common problem in lattice-based planning. Our method is validated for autonomous driving in both parking lot and highway scenarios.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

The increasing usage of Large Language Models (LLMs) has resulted in a surging demand for planet-scale serving systems, where tens of thousands of GPUs continuously serve hundreds of millions of users. Consequently, throughput (under reasonable latency constraints) has emerged as a key metric that determines serving systems' performance. To boost throughput, various methods of inter-device parallelism (e.g., data, tensor, pipeline) have been explored. However, existing methods do not consider overlapping the utilization of different resources within a single device, leading to underutilization and sub-optimal performance. We propose NanoFlow, a novel serving framework that exploits intra-device parallelism, which overlaps the usage of resources including compute, memory, and network within a single device through operation co-scheduling. To exploit intra-device parallelism, NanoFlow introduces two key innovations: First, NanoFlow splits requests into nano-batches at the granularity of operations, which breaks the dependency of sequential operations in LLM inference and enables overlapping; then, to get benefit from overlapping, NanoFlow uses an operation-level pipeline with execution unit scheduling, which partitions the device's functional units and simultaneously executes different operations in each unit. NanoFlow automates the pipeline setup using a parameter search algorithm, which enables easily porting NanoFlow to different models. We implement NanoFlow on NVIDIA GPUs and evaluate end-to-end serving throughput on several popular models such as LLaMA-2-70B, Mixtral 8x7B, LLaMA-3-8B, etc.. With practical workloads, NanoFlow provides 1.91x throughput boost compared to state-of-the-art serving systems achieving 59% to 72% of optimal throughput across ported models.

The recently proposed Muon optimizer updates weight matrices via orthogonalized momentum and has demonstrated strong empirical success in large language model training. However, it remains unclear how to determine the learning rates for such orthogonalized updates. AdaGrad, by contrast, is a widely used adaptive method that scales stochastic gradients by accumulated past gradients. We propose a new algorithm, AdaGO, which combines a norm-based AdaGrad-type stepsize with an orthogonalized update direction, bringing together the benefits of both approaches. Unlike other adaptive variants of Muon, AdaGO preserves the orthogonality of the update direction, which can be interpreted as a spectral descent direction, while adapting the stepsizes to the optimization landscape by scaling the direction with accumulated past gradient norms. The implementation of AdaGO requires only minimal modification to Muon, with a single additional scalar variable, the accumulated squared gradient norms, to be computed, making it computationally and memory efficient. Optimal theoretical convergence rates are established for nonconvex functions in both stochastic and deterministic settings under standard smoothness and unbiased bounded-variance noise assumptions. Empirical results on CIFAR-10 classification and function regression demonstrate that AdaGO outperforms Muon and Adam.

This paper investigates conservative exploration in reinforcement learning where the performance of the learning agent is guaranteed to be above a certain threshold throughout the learning process. It focuses on the tabular episodic Markov Decision Process (MDP) setting that has finite states and actions. With the knowledge of an existing safe baseline policy, an algorithm termed as StepMix is proposed to balance the exploitation and exploration while ensuring that the conservative constraint is never violated in each episode with high probability. StepMix features a unique design of a mixture policy that adaptively and smoothly interpolates between the baseline policy and the optimistic policy. Theoretical analysis shows that StepMix achieves near-optimal regret order as in the constraint-free setting, indicating that obeying the stringent episode-wise conservative constraint does not compromise the learning performance. Besides, a randomization-based EpsMix algorithm is also proposed and shown to achieve the same performance as StepMix. The algorithm design and theoretical analysis are further extended to the setting where the baseline policy is not given a priori but must be learned from an offline dataset, and it is proved that similar conservative guarantee and regret can be achieved if the offline dataset is sufficiently large. Experiment results corroborate the theoretical analysis and demonstrate the effectiveness of the proposed conservative exploration strategies.

We consider the problem of estimating the optimal transport map between two probability distributions, P and Q in mathbb R^d, on the basis of i.i.d. samples. All existing statistical analyses of this problem require the assumption that the transport map is Lipschitz, a strong requirement that, in particular, excludes any examples where the transport map is discontinuous. As a first step towards developing estimation procedures for discontinuous maps, we consider the important special case where the data distribution Q is a discrete measure supported on a finite number of points in mathbb R^d. We study a computationally efficient estimator initially proposed by Pooladian and Niles-Weed (2021), based on entropic optimal transport, and show in the semi-discrete setting that it converges at the minimax-optimal rate n^{-1/2}, independent of dimension. Other standard map estimation techniques both lack finite-sample guarantees in this setting and provably suffer from the curse of dimensionality. We confirm these results in numerical experiments, and provide experiments for other settings, not covered by our theory, which indicate that the entropic estimator is a promising methodology for other discontinuous transport map estimation problems.

In recent years, diffusion models have become the most popular and powerful methods in the field of image synthesis, even rivaling human artists in artistic creativity. However, the key issue currently limiting the application of diffusion models is its extremely slow generation process. Although several methods were proposed to speed up the generation process, there still exists a trade-off between efficiency and quality. In this paper, we first provide a detailed theoretical and empirical analysis of the generation process of the diffusion models based on schedulers. We transform the designing problem of schedulers into the determination of several parameters, and further transform the accelerated generation process into an expansion process of the linear subspace. Based on these analyses, we consequently propose a novel method called Optimal Linear Subspace Search (OLSS), which accelerates the generation process by searching for the optimal approximation process of the complete generation process in the linear subspaces spanned by latent variables. OLSS is able to generate high-quality images with a very small number of steps. To demonstrate the effectiveness of our method, we conduct extensive comparative experiments on open-source diffusion models. Experimental results show that with a given number of steps, OLSS can significantly improve the quality of generated images. Using an NVIDIA A100 GPU, we make it possible to generate a high-quality image by Stable Diffusion within only one second without other optimization techniques.

One of the main challenges in optimal scaling of large language models (LLMs) is the prohibitive cost of hyperparameter tuning, particularly learning rate eta and batch size B. While techniques like muP (Yang et al., 2022) provide scaling rules for optimal eta transfer in the infinite model size limit, the optimal scaling behavior in the infinite data size limit remains unknown. We fill in this gap by observing for the first time an intricate dependence of optimal eta scaling on the pretraining token budget T, B and its relation to the critical batch size B_crit, which we measure to evolve as B_crit propto T. Furthermore, we show that the optimal batch size is positively correlated with B_crit: keeping it fixed becomes suboptimal over time even if learning rate is scaled optimally. Surprisingly, our results demonstrate that the observed optimal eta and B dynamics are preserved with muP model scaling, challenging the conventional view of B_crit dependence solely on loss value. Complementing optimality, we examine the sensitivity of loss to changes in learning rate, where we find the sensitivity to decrease with increase of T and to remain constant with muP model scaling. We hope our results make the first step towards a unified picture of the joint optimal data and model scaling.

The optimal training configurations of large language models (LLMs) with respect to model sizes and compute budgets have been extensively studied. But how to optimally configure LLMs during inference has not been explored in sufficient depth. We study compute-optimal inference: designing models and inference strategies that optimally trade off additional inference-time compute for improved performance. As a first step towards understanding and designing compute-optimal inference methods, we assessed the effectiveness and computational efficiency of multiple inference strategies such as Greedy Search, Majority Voting, Best-of-N, Weighted Voting, and their variants on two different Tree Search algorithms, involving different model sizes and computational budgets. We found that a smaller language model with a novel tree search algorithm typically achieves a Pareto-optimal trade-off. These results highlight the potential benefits of deploying smaller models equipped with more sophisticated decoding algorithms in budget-constrained scenarios, e.g., on end-devices, to enhance problem-solving accuracy. For instance, we show that the Llemma-7B model can achieve competitive accuracy to a Llemma-34B model on MATH500 while using 2times less FLOPs. Our findings could potentially apply to any generation task with a well-defined measure of success.

The rapid development of generative models has significantly advanced image and video applications. Among these, video creation, aimed at generating videos under various conditions, has gained substantial attention. However, existing video creation models either focus solely on a few specific conditions or suffer from excessively long generation times due to complex model inference, making them impractical for real-world applications. To mitigate these issues, we propose an efficient unified video creation model, named VDOT. Concretely, we model the training process with the distribution matching distillation (DMD) paradigm. Instead of using the Kullback-Leibler (KL) minimization, we additionally employ a novel computational optimal transport (OT) technique to optimize the discrepancy between the real and fake score distributions. The OT distance inherently imposes geometric constraints, mitigating potential zero-forcing or gradient collapse issues that may arise during KL-based distillation within the few-step generation scenario, and thus, enhances the efficiency and stability of the distillation process. Further, we integrate a discriminator to enable the model to perceive real video data, thereby enhancing the quality of generated videos. To support training unified video creation models, we propose a fully automated pipeline for video data annotation and filtering that accommodates multiple video creation tasks. Meanwhile, we curate a unified testing benchmark, UVCBench, to standardize evaluation. Experiments demonstrate that our 4-step VDOT outperforms or matches other baselines with 100 denoising steps.

This paper describes the submission of the UPC Machine Translation group to the IWSLT 2023 Offline Speech Translation task. Our Speech Translation systems utilize foundation models for speech (wav2vec 2.0) and text (mBART50). We incorporate a Siamese pretraining step of the speech and text encoders with CTC and Optimal Transport, to adapt the speech representations to the space of the text model, thus maximizing transfer learning from MT. After this pretraining, we fine-tune our system end-to-end on ST, with Cross Entropy and Knowledge Distillation. Apart from the available ST corpora, we create synthetic data with SegAugment to better adapt our models to the custom segmentations of the IWSLT test sets. Our best single model obtains 31.2 BLEU points on MuST-C tst-COMMON, 29.8 points on IWLST.tst2020 and 33.4 points on the newly released IWSLT.ACLdev2023.

Diffusion models (DMs) have established themselves as the state-of-the-art generative modeling approach in the visual domain and beyond. A crucial drawback of DMs is their slow sampling speed, relying on many sequential function evaluations through large neural networks. Sampling from DMs can be seen as solving a differential equation through a discretized set of noise levels known as the sampling schedule. While past works primarily focused on deriving efficient solvers, little attention has been given to finding optimal sampling schedules, and the entire literature relies on hand-crafted heuristics. In this work, for the first time, we propose a general and principled approach to optimizing the sampling schedules of DMs for high-quality outputs, called Align Your Steps. We leverage methods from stochastic calculus and find optimal schedules specific to different solvers, trained DMs and datasets. We evaluate our novel approach on several image, video as well as 2D toy data synthesis benchmarks, using a variety of different samplers, and observe that our optimized schedules outperform previous hand-crafted schedules in almost all experiments. Our method demonstrates the untapped potential of sampling schedule optimization, especially in the few-step synthesis regime.

This study presents a new image super-resolution (SR) technique based on diffusion inversion, aiming at harnessing the rich image priors encapsulated in large pre-trained diffusion models to improve SR performance. We design a Partial noise Prediction strategy to construct an intermediate state of the diffusion model, which serves as the starting sampling point. Central to our approach is a deep noise predictor to estimate the optimal noise maps for the forward diffusion process. Once trained, this noise predictor can be used to initialize the sampling process partially along the diffusion trajectory, generating the desirable high-resolution result. Compared to existing approaches, our method offers a flexible and efficient sampling mechanism that supports an arbitrary number of sampling steps, ranging from one to five. Even with a single sampling step, our method demonstrates superior or comparable performance to recent state-of-the-art approaches. The code and model are publicly available at https://github.com/zsyOAOA/InvSR.

This paper investigates the global convergence of stepsized Newton methods for convex functions. We propose several simple stepsize schedules with fast global convergence guarantees, up to O (k^{-3}), nearly matching lower complexity bounds Omega (k^{-3.5}) of second-order methods. For cases with multiple plausible smoothness parameterizations or an unknown smoothness constant, we introduce a stepsize backtracking procedure that ensures convergence as if the optimal smoothness parameters were known.

A central problem in learning from sequential data is representing cumulative history in an incremental fashion as more data is processed. We introduce a general framework (HiPPO) for the online compression of continuous signals and discrete time series by projection onto polynomial bases. Given a measure that specifies the importance of each time step in the past, HiPPO produces an optimal solution to a natural online function approximation problem. As special cases, our framework yields a short derivation of the recent Legendre Memory Unit (LMU) from first principles, and generalizes the ubiquitous gating mechanism of recurrent neural networks such as GRUs. This formal framework yields a new memory update mechanism (HiPPO-LegS) that scales through time to remember all history, avoiding priors on the timescale. HiPPO-LegS enjoys the theoretical benefits of timescale robustness, fast updates, and bounded gradients. By incorporating the memory dynamics into recurrent neural networks, HiPPO RNNs can empirically capture complex temporal dependencies. On the benchmark permuted MNIST dataset, HiPPO-LegS sets a new state-of-the-art accuracy of 98.3%. Finally, on a novel trajectory classification task testing robustness to out-of-distribution timescales and missing data, HiPPO-LegS outperforms RNN and neural ODE baselines by 25-40% accuracy.

Multi-step learning applies lookahead over multiple time steps and has proved valuable in policy evaluation settings. However, in the optimal control case, the impact of multi-step learning has been relatively limited despite a number of prior efforts. Fundamentally, this might be because multi-step policy improvements require operations that cannot be approximated by stochastic samples, hence hindering the widespread adoption of such methods in practice. To address such limitations, we introduce doubly multi-step off-policy VI (DoMo-VI), a novel oracle algorithm that combines multi-step policy improvements and policy evaluations. DoMo-VI enjoys guaranteed convergence speed-up to the optimal policy and is applicable in general off-policy learning settings. We then propose doubly multi-step off-policy actor-critic (DoMo-AC), a practical instantiation of the DoMo-VI algorithm. DoMo-AC introduces a bias-variance trade-off that ensures improved policy gradient estimates. When combined with the IMPALA architecture, DoMo-AC has showed improvements over the baseline algorithm on Atari-57 game benchmarks.

Language agents have become a promising solution to complex interactive tasks. One of the key ingredients to the success of language agents is the reward model on the trajectory of the agentic workflow, which provides valuable guidance during training or inference. However, due to the lack of annotations of intermediate interactions, most existing works use an outcome reward model to optimize policies across entire trajectories. This may lead to sub-optimal policies and hinder the overall performance. To address this, we propose QLASS (Q-guided Language Agent Stepwise Search), to automatically generate annotations by estimating Q-values in a stepwise manner for open language agents. By introducing a reasoning tree and performing process reward modeling, QLASS provides effective intermediate guidance for each step. With the stepwise guidance, we propose a Q-guided generation strategy to enable language agents to better adapt to long-term value, resulting in significant performance improvement during model inference on complex interactive agent tasks. Notably, even with almost half the annotated data, QLASS retains strong performance, demonstrating its efficiency in handling limited supervision. We also empirically demonstrate that QLASS can lead to more effective decision making through qualitative analysis. We will release our code and data.

Enhancing the capability of large language models (LLMs) in reasoning has gained significant attention in recent years. Previous studies have demonstrated the effectiveness of various prompting strategies in aiding LLMs in reasoning (called "reasoning actions"), such as step-by-step thinking, reflecting before answering, solving with programs, and their combinations. However, these approaches often applied static, predefined reasoning actions uniformly to all questions, without considering the specific characteristics of each question or the capability of the task-solving LLM. In this paper, we propose DOTS, an approach enabling LLMs to reason dynamically via optimal reasoning trajectory search, tailored to the specific characteristics of each question and the inherent capability of the task-solving LLM. Our approach involves three key steps: i) defining atomic reasoning action modules that can be composed into various reasoning action trajectories; ii) searching for the optimal action trajectory for each training question through iterative exploration and evaluation for the specific task-solving LLM; and iii) using the collected optimal trajectories to train an LLM to plan for the reasoning trajectories of unseen questions. In particular, we propose two learning paradigms, i.e., fine-tuning an external LLM as a planner to guide the task-solving LLM, or directly fine-tuning the task-solving LLM with an internalized capability for reasoning actions planning. Our experiments across eight reasoning tasks show that our method consistently outperforms static reasoning techniques and the vanilla instruction tuning approach. Further analysis reveals that our method enables LLMs to adjust their computation based on problem complexity, allocating deeper thinking and reasoning to harder problems.

Vision Language Models (VLMs) have demonstrated strong capabilities across various visual understanding and reasoning tasks. However, their real-world deployment is often constrained by high latency during inference due to substantial compute required to process the large number of input tokens (predominantly from the image) by the LLM. To reduce inference costs, one can either downsize the LLM or reduce the number of input image-tokens, the latter of which has been the focus of many recent works around token compression. However, it is unclear what the optimal trade-off is, as both the factors directly affect the VLM performance. We first characterize this optimal trade-off between the number of visual tokens and LLM parameters by establishing scaling laws that capture variations in performance with these two factors. Our results reveal a surprising trend: for visual reasoning tasks, the inference-optimal behavior in VLMs, i.e., minimum downstream error at any given fixed inference compute, is achieved when using the largest LLM that fits within the inference budget while minimizing visual token count - often to a single token. While the token reduction literature has mainly focused on maintaining base model performance by modestly reducing the token count (e.g., 5-10times), our results indicate that the compute-optimal inference regime requires operating under even higher token compression ratios. Based on these insights, we take some initial steps towards building approaches tailored for high token compression settings. Code is available at https://github.com/locuslab/llava-token-compression.

Diffusion models, as a kind of powerful generative model, have given impressive results on image super-resolution (SR) tasks. However, due to the randomness introduced in the reverse process of diffusion models, the performances of diffusion-based SR models are fluctuating at every time of sampling, especially for samplers with few resampled steps. This inherent randomness of diffusion models results in ineffectiveness and instability, making it challenging for users to guarantee the quality of SR results. However, our work takes this randomness as an opportunity: fully analyzing and leveraging it leads to the construction of an effective plug-and-play sampling method that owns the potential to benefit a series of diffusion-based SR methods. More in detail, we propose to steadily sample high-quality SR images from pre-trained diffusion-based SR models by solving diffusion ordinary differential equations (diffusion ODEs) with optimal boundary conditions (BCs) and analyze the characteristics between the choices of BCs and their corresponding SR results. Our analysis shows the route to obtain an approximately optimal BC via an efficient exploration in the whole space. The quality of SR results sampled by the proposed method with fewer steps outperforms the quality of results sampled by current methods with randomness from the same pre-trained diffusion-based SR model, which means that our sampling method "boosts" current diffusion-based SR models without any additional training.

Data clipping is crucial in reducing noise in quantization operations and improving the achievable accuracy of quantization-aware training (QAT). Current practices rely on heuristics to set clipping threshold scalars and cannot be shown to be optimal. We propose Optimally Clipped Tensors And Vectors (OCTAV), a recursive algorithm to determine MSE-optimal clipping scalars. Derived from the fast Newton-Raphson method, OCTAV finds optimal clipping scalars on the fly, for every tensor, at every iteration of the QAT routine. Thus, the QAT algorithm is formulated with provably minimum quantization noise at each step. In addition, we reveal limitations in common gradient estimation techniques in QAT and propose magnitude-aware differentiation as a remedy to further improve accuracy. Experimentally, OCTAV-enabled QAT achieves state-of-the-art accuracy on multiple tasks. These include training-from-scratch and retraining ResNets and MobileNets on ImageNet, and Squad fine-tuning using BERT models, where OCTAV-enabled QAT consistently preserves accuracy at low precision (4-to-6-bits). Our results require no modifications to the baseline training recipe, except for the insertion of quantization operations where appropriate.

Multimodal large language models (MLLMs) have begun to demonstrate robust reasoning capabilities on general tasks, yet their application in the medical domain remains in its early stages. Constructing chain-of-thought (CoT) training data is essential for bolstering the reasoning abilities of medical MLLMs. However, existing approaches exhibit a deficiency in offering a comprehensive framework for searching and evaluating effective reasoning paths towards critical diagnosis. To address this challenge, we propose Mentor-Intern Collaborative Search (MICS), a novel reasoning-path searching scheme to generate rigorous and effective medical CoT data. MICS first leverages mentor models to initialize the reasoning, one step at a time, then prompts each intern model to continue the thinking along those initiated paths, and finally selects the optimal reasoning path according to the overall reasoning performance of multiple intern models. The reasoning performance is determined by an MICS-Score, which assesses the quality of generated reasoning paths. Eventually, we construct MMRP, a multi-task medical reasoning dataset with ranked difficulty, and Chiron-o1, a new medical MLLM devised via a curriculum learning strategy, with robust visual question-answering and generalizable reasoning capabilities. Extensive experiments demonstrate that Chiron-o1, trained on our CoT dataset constructed using MICS, achieves state-of-the-art performance across a list of medical visual question answering and reasoning benchmarks. Codes are available at GitHub - manglu097/Chiron-o1: Enhancing Step-by-Step and Verifiable Medical Reasoning in MLLMs

On-demand ride-sharing platforms face the fundamental challenge of dynamically bundling passengers with diverse origins and destinations and matching them with vehicles in real time, all under significant uncertainty. Recently, MARL has emerged as a promising solution for this problem, leveraging decentralized learning to address the curse of dimensionality caused by the large number of agents in the ride-hailing market and the resulting expansive state and action spaces. However, conventional MARL-based ride-sharing approaches heavily rely on the accurate estimation of Q-values or V-values, which becomes problematic in large-scale, highly uncertain environments. Specifically, most of these approaches adopt an independent paradigm, exacerbating this issue, as each agent treats others as part of the environment, leading to unstable training and substantial estimation bias in value functions. To address these challenges, we propose two novel alternative methods that bypass value function estimation. First, we adapt GRPO to ride-sharing, replacing the PPO baseline with the group average reward to eliminate critic estimation errors and reduce training bias. Second, inspired by GRPO's full utilization of group reward information, we customize the PPO framework for ride-sharing platforms and show that, under a homogeneous fleet, the optimal policy can be trained using only one-step rewards - a method we term One-Step Policy Optimization (OSPO). Experiments on a real-world Manhattan ride-hailing dataset demonstrate that both GRPO and OSPO achieve superior performance across most scenarios, efficiently optimizing pickup times and the number of served orders using simple MLP networks.

Transformer-based architectures have become the de-facto standard models for diverse vision tasks owing to their superior performance. As the size of the models continues to scale up, model distillation becomes extremely important in various real applications, particularly on devices limited by computational resources. However, prevailing knowledge distillation methods exhibit diminished efficacy when confronted with a large capacity gap between the teacher and the student, e.g, 10x compression rate. In this paper, we present a novel approach named Automatic Multi-step Distillation (AMD) for large-scale vision model compression. In particular, our distillation process unfolds across multiple steps. Initially, the teacher undergoes distillation to form an intermediate teacher-assistant model, which is subsequently distilled further to the student. An efficient and effective optimization framework is introduced to automatically identify the optimal teacher-assistant that leads to the maximal student performance. We conduct extensive experiments on multiple image classification datasets, including CIFAR-10, CIFAR-100, and ImageNet. The findings consistently reveal that our approach outperforms several established baselines, paving a path for future knowledge distillation methods on large-scale vision models.

Minibatch optimal transport coupling straightens paths in unconditional flow matching. This leads to computationally less demanding inference as fewer integration steps and less complex numerical solvers can be employed when numerically solving an ordinary differential equation at test time. However, in the conditional setting, minibatch optimal transport falls short. This is because the default optimal transport mapping disregards conditions, resulting in a conditionally skewed prior distribution during training. In contrast, at test time, we have no access to the skewed prior, and instead sample from the full, unbiased prior distribution. This gap between training and testing leads to a subpar performance. To bridge this gap, we propose conditional optimal transport C^2OT that adds a conditional weighting term in the cost matrix when computing the optimal transport assignment. Experiments demonstrate that this simple fix works with both discrete and continuous conditions in 8gaussians-to-moons, CIFAR-10, ImageNet-32x32, and ImageNet-256x256. Our method performs better overall compared to the existing baselines across different function evaluation budgets. Code is available at https://hkchengrex.github.io/C2OT

The integration of slow-thinking mechanisms into large language models (LLMs) offers a promising way toward achieving Level 2 AGI Reasoners, as exemplified by systems like OpenAI's o1. However, several significant challenges remain, including inefficient overthinking and an overreliance on auxiliary reward models. We point out that these limitations stem from LLMs' inability to internalize the search process, a key component of effective reasoning. A critical step toward addressing this issue is enabling LLMs to autonomously determine when and where to backtrack, a fundamental operation in traditional search algorithms. To this end, we propose a self-backtracking mechanism that equips LLMs with the ability to backtrack during both training and inference. This mechanism not only enhances reasoning ability but also efficiency by transforming slow-thinking processes into fast-thinking through self-improvement. Empirical evaluations demonstrate that our proposal significantly enhances the reasoning capabilities of LLMs, achieving a performance gain of over 40 percent compared to the optimal-path supervised fine-tuning method. We believe this study introduces a novel and promising pathway for developing more advanced and robust Reasoners.

This work studies the combinatorial optimization problem of finding an optimal core tensor shape, also called multilinear rank, for a size-constrained Tucker decomposition. We give an algorithm with provable approximation guarantees for its reconstruction error via connections to higher-order singular values. Specifically, we introduce a novel Tucker packing problem, which we prove is NP-hard, and give a polynomial-time approximation scheme based on a reduction to the 2-dimensional knapsack problem with a matroid constraint. We also generalize our techniques to tree tensor network decompositions. We implement our algorithm using an integer programming solver, and show that its solution quality is competitive with (and sometimes better than) the greedy algorithm that uses the true Tucker decomposition loss at each step, while also running up to 1000x faster.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

Rectified Flow (RF) models have advanced high-quality image and video synthesis via optimal transport theory. However, when applied to image-to-image translation, they still depend on costly multi-step denoising, hindering real-time applications. Although the recent adversarial training paradigm, CycleGAN-Turbo, works in pretrained diffusion models for one-step image translation, we find that directly applying it to RF models leads to severe convergence issues. In this paper, we analyze these challenges and propose TReFT, a novel method to Tame Rectified Flow models for one-step image Translation. Unlike previous works, TReFT directly uses the velocity predicted by pretrained DiT or UNet as output-a simple yet effective design that tackles the convergence issues under adversarial training with one-step inference. This design is mainly motivated by a novel observation that, near the end of the denoising process, the velocity predicted by pretrained RF models converges to the vector from origin to the final clean image, a property we further justify through theoretical analysis. When applying TReFT to large pretrained RF models such as SD3.5 and FLUX, we introduce memory-efficient latent cycle-consistency and identity losses during training, as well as lightweight architectural simplifications for faster inference. Pretrained RF models finetuned with TReFT achieve performance comparable to sota methods across multiple image translation datasets while enabling real-time inference.

Phonemization, the conversion of text into phonemes, is a key step in text-to-speech. Traditional approaches use rule-based transformations and lexicon lookups, while more advanced methods apply preprocessing techniques or neural networks for improved accuracy on out-of-domain vocabulary. However, all systems struggle with names, loanwords, abbreviations, and homographs. This work presents OLaPh (Optimal Language Phonemizer), a framework that combines large lexica, multiple NLP techniques, and compound resolution with a probabilistic scoring function. Evaluations in German and English show improved accuracy over previous approaches, including on a challenging dataset. To further address unresolved cases, we train a large language model on OLaPh-generated data, which achieves even stronger generalization and performance. Together, the framework and LLM improve phonemization consistency and provide a freely available resource for future research.

Recent advances in text-to-image (T2I) diffusion model fine-tuning leverage reinforcement learning (RL) to align generated images with learnable reward functions. The existing approaches reformulate denoising as a Markov decision process for RL-driven optimization. However, they suffer from reward sparsity, receiving only a single delayed reward per generated trajectory. This flaw hinders precise step-level attribution of denoising actions, undermines training efficiency. To address this, we propose a simple yet effective credit assignment framework that dynamically distributes dense rewards across denoising steps. Specifically, we track changes in cosine similarity between intermediate and final images to quantify each step's contribution on progressively reducing the distance to the final image. Our approach avoids additional auxiliary neural networks for step-level preference modeling and instead uses reward shaping to highlight denoising phases that have a greater impact on image quality. Our method achieves 1.25 to 2 times higher sample efficiency and better generalization across four human preference reward functions, without compromising the original optimal policy.

The role of reinforcement learning (RL) in enhancing the reasoning of large language models (LLMs) is becoming increasingly significant. Despite the success of RL in many scenarios, there are still many challenges in improving the reasoning of LLMs. One challenge is the sparse reward, which makes optimization difficult for RL and necessitates a large amount of data samples. Another challenge stems from the inherent instability of RL, particularly when using Actor-Critic (AC) methods to derive optimal policies, which often leads to unstable training processes. To address these issues, we introduce Direct Advantage Policy Optimization (DAPO), an novel step-level offline RL algorithm. Unlike standard alignment that rely solely outcome rewards to optimize policies (such as DPO), DAPO employs a critic function to predict the reasoning accuracy at each step, thereby generating dense signals to refine the generation strategy. Additionally, the Actor and Critic components in DAPO are trained independently, avoiding the co-training instability observed in standard AC algorithms like PPO. We train DAPO on mathematical and code query datasets and then evaluate its performance on multiple benchmarks. Our results show that DAPO can effectively enhance the mathematical and code capabilities on both SFT models and RL models, demonstrating the effectiveness of DAPO.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Large Language Models (LLMs) have demonstrated remarkable capabilities but often face challenges with tasks requiring sophisticated reasoning. While Chain-of-Thought (CoT) prompting significantly enhances reasoning, it indiscriminately generates lengthy reasoning steps for all queries, leading to substantial computational costs and inefficiency, especially for simpler inputs. To address this critical issue, we introduce AdaCoT (Adaptive Chain-of-Thought), a novel framework enabling LLMs to adaptively decide when to invoke CoT. AdaCoT framed adaptive reasoning as a Pareto optimization problem that seeks to balance model performance with the costs associated with CoT invocation (both frequency and computational overhead). We propose a reinforcement learning (RL) based method, specifically utilizing Proximal Policy Optimization (PPO), to dynamically control the CoT triggering decision boundary by adjusting penalty coefficients, thereby allowing the model to determine CoT necessity based on implicit query complexity. A key technical contribution is Selective Loss Masking (SLM), designed to counteract decision boundary collapse during multi-stage RL training, ensuring robust and stable adaptive triggering. Experimental results demonstrate that AdaCoT successfully navigates the Pareto frontier, achieving substantial reductions in CoT usage for queries not requiring elaborate reasoning. For instance, on our production traffic testset, AdaCoT reduced CoT triggering rates to as low as 3.18\% and decreased average response tokens by 69.06%, while maintaining high performance on complex tasks.

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning of LMs. We first propose an objective that optimizes LM learning by maximizing the data compression ratio in an "LM-training-as-lossless-compression" view. Then, we derive a theorem, named Learning Law, to reveal the properties of the dynamics in the optimal learning process under our objective. The theorem is then validated by experiments on a linear classification and a real-world language modeling task. Finally, we empirically verify that the optimal learning of LMs essentially stems from the improvement of the coefficients in the scaling law of LMs, indicating great promise and significance for designing practical learning acceleration methods. Our code can be found at https://aka.ms/LearningLaw.

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter varphi that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between varphi and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of varphi.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA consistently surpasses the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

Test-time scaling (TTS) has proven effective in enhancing the reasoning capabilities of large language models (LLMs). Verification plays a key role in TTS, simultaneously influencing (1) reasoning performance and (2) compute efficiency, due to the quality and computational cost of verification. In this work, we challenge the conventional paradigms of verification, and make the first attempt toward systematically investigating the impact of verification granularity-that is, how frequently the verifier is invoked during generation, beyond verifying only the final output or individual generation steps. To this end, we introduce Variable Granularity Search (VG-Search), a unified algorithm that generalizes beam search and Best-of-N sampling via a tunable granularity parameter g. Extensive experiments with VG-Search under varying compute budgets, generator-verifier configurations, and task attributes reveal that dynamically selecting g can improve the compute efficiency and scaling behavior. Building on these findings, we propose adaptive VG-Search strategies that achieve accuracy gains of up to 3.1\% over Beam Search and 3.6\% over Best-of-N, while reducing FLOPs by over 52\%. We will open-source the code to support future research.

Safety and trustworthiness are indispensable requirements for real-world applications of AI systems using large language models (LLMs). This paper formulates human value alignment as an optimization problem of the language model policy to maximize reward under a safety constraint, and then proposes an algorithm, Stepwise Alignment for Constrained Policy Optimization (SACPO). One key idea behind SACPO, supported by theory, is that the optimal policy incorporating reward and safety can be directly obtained from a reward-aligned policy. Building on this key idea, SACPO aligns LLMs step-wise with each metric while leveraging simple yet powerful alignment algorithms such as direct preference optimization (DPO). SACPO offers several advantages, including simplicity, stability, computational efficiency, and flexibility of algorithms and datasets. Under mild assumptions, our theoretical analysis provides the upper bounds on optimality and safety constraint violation. Our experimental results show that SACPO can fine-tune Alpaca-7B better than the state-of-the-art method in terms of both helpfulness and harmlessness.

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

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

LLM inference often generates a batch of candidates for a prompt and selects one via strategies like majority voting or Best-of- N (BoN). For difficult tasks, this single-shot selection often underperforms. Consequently, evaluations commonly report Pass@k: the agent may submit up to k responses, and only the best of them is used when computing regret. Motivated by this, we study inference scaling in the more general Pass@k inference setting, and prove that neither majority voting nor BoN exhibits the desirable scaling with k and the sampling budget N. Combining the advantages of majority voting and BoN, we propose a new inference strategy called Best-of-Majority (BoM), with a pivotal step that restricts the candidates to the responses with high frequency in the N samples before selecting the top-k rewards. We prove that when the sampling budget is N=tildeOmega(C^*), the regret of BoM is O(epsilon_{opt}+epsilon_{mathrm{RM}^2C^*/k}), where C^* is the coverage coefficient, epsilon_{RM} is the estimation error of the reward model, and epsilon_{opt} is the estimation error of reward at the optimal response. We further establish a matching lower bound, certifying that our algorithm is minimax optimal. Beyond optimality, BoM has a key advantage: unlike majority voting and BoN, its performance does not degrade when increasing N. Experimental results of inference on math problems show BoM outperforming both majority voting and BoN.

Multi-step planning has been widely employed to enhance the performance of large language models (LLMs) on downstream natural language processing (NLP) tasks, which decomposes the original task into multiple subtasks and guide LLMs to solve them sequentially without additional training. When addressing task instances, existing methods either preset the order of steps or attempt multiple paths at each step. However, these methods overlook instances' linguistic features and rely on the intrinsic planning capabilities of LLMs to evaluate intermediate feedback and then select subtasks, resulting in suboptimal outcomes. To better solve multi-step NLP tasks with LLMs, in this paper we propose a Reinforcement Learning enhanced Adaptive Planning framework (RLAP). In our framework, we model an NLP task as a Markov decision process (MDP) and employ an LLM directly into the environment. In particular, a lightweight Actor model is trained to estimate Q-values for natural language sequences consisting of states and actions through reinforcement learning. Therefore, during sequential planning, the linguistic features of each sequence in the MDP can be taken into account, and the Actor model interacts with the LLM to determine the optimal order of subtasks for each task instance. We apply RLAP on three different types of NLP tasks and conduct extensive experiments on multiple datasets to verify RLAP's effectiveness and robustness.

We consider two data driven approaches, Reinforcement Learning (RL) and Deep Trajectory-based Stochastic Optimal Control (DTSOC) for hedging a European call option without and with transaction cost according to a quadratic hedging P&L objective at maturity ("variance-optimal hedging" or "final quadratic hedging"). We study the performance of the two approaches under various market environments (modeled via the Black-Scholes and/or the log-normal SABR model) to understand their advantages and limitations. Without transaction costs and in the Black-Scholes model, both approaches match the performance of the variance-optimal Delta hedge. In the log-normal SABR model without transaction costs, they match the performance of the variance-optimal Barlett's Delta hedge. Agents trained on Black-Scholes trajectories with matching initial volatility but used on SABR trajectories match the performance of Bartlett's Delta hedge in average cost, but show substantially wider variance. To apply RL approaches to these problems, P&L at maturity is written as sum of step-wise contributions and variants of RL algorithms are implemented and used that minimize expectation of second moments of such sums.

In many applications of Reinforcement Learning (RL), it is critically important that the algorithm performs safely, such that instantaneous hard constraints are satisfied at each step, and unsafe states and actions are avoided. However, existing algorithms for ''safe'' RL are often designed under constraints that either require expected cumulative costs to be bounded or assume all states are safe. Thus, such algorithms could violate instantaneous hard constraints and traverse unsafe states (and actions) in practice. Therefore, in this paper, we develop the first near-optimal safe RL algorithm for episodic Markov Decision Processes with unsafe states and actions under instantaneous hard constraints and the linear mixture model. It not only achieves a regret O(d H^3 sqrt{dK}{Delta_c}) that tightly matches the state-of-the-art regret in the setting with only unsafe actions and nearly matches that in the unconstrained setting, but is also safe at each step, where d is the feature-mapping dimension, K is the number of episodes, H is the number of steps in each episode, and Delta_c is a safety-related parameter. We also provide a lower bound Omega(max{dH K, H{Delta_c^2}}), which indicates that the dependency on Delta_c is necessary. Further, both our algorithm design and regret analysis involve several novel ideas, which may be of independent interest.

We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between continuous probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schr\"odinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks. https://github.com/ngushchin/EntropicNeuralOptimalTransport

Large reasoning models (LRMs) have recently achieved significant progress in complex reasoning tasks, aided by reinforcement learning with verifiable rewards. However, LRMs often suffer from overthinking, expending excessive computation on simple problems and reducing efficiency. Existing efficient reasoning methods typically require accurate task assessment to preset token budgets or select reasoning modes, which limits their flexibility and reliability. In this work, we revisit the essence of overthinking and identify that encouraging effective steps while penalizing ineffective ones is key to its solution. To this end, we propose a novel rule-based verifiable stepwise reward mechanism (VSRM), which assigns rewards based on the performance of intermediate states in the reasoning trajectory. This approach is intuitive and naturally fits the step-by-step nature of reasoning tasks. We conduct extensive experiments on standard mathematical reasoning benchmarks, including AIME24 and AIME25, by integrating VSRM with PPO and Reinforce++. Results show that our method achieves substantial output length reduction while maintaining original reasoning performance, striking an optimal balance between efficiency and accuracy. Further analysis of overthinking frequency and pass@k score before and after training demonstrates that our approach in deed effectively suppresses ineffective steps and encourages effective reasoning, fundamentally alleviating the overthinking problem. All code will be released upon acceptance.

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent progress in designing fast samplers for DPMs achieves a trade-off between sampling speed and sample quality by knowledge distillation or adjusting the variance schedule or the denoising equation. However, it can't be optimal in both aspects and often suffer from mode mixture in short steps. To tackle this problem, we innovatively regard inverse diffusion as an optimal transport (OT) problem between latents at different stages and propose the DPM-OT, a unified learning framework for fast DPMs with a direct expressway represented by OT map, which can generate high-quality samples within around 10 function evaluations. By calculating the semi-discrete optimal transport map between the data latents and the white noise, we obtain an expressway from the prior distribution to the data distribution, while significantly alleviating the problem of mode mixture. In addition, we give the error bound of the proposed method, which theoretically guarantees the stability of the algorithm. Extensive experiments validate the effectiveness and advantages of DPM-OT in terms of speed and quality (FID and mode mixture), thus representing an efficient solution for generative modeling. Source codes are available at https://github.com/cognaclee/DPM-OT

Language models have demonstrated impressive capabilities across various natural language processing tasks, yet they struggle with planning tasks requiring multi-step simulations. Inspired by human cognitive processes, this paper investigates the optimal planning power of language models that can construct a cognitive map of a given environment. Our experiments demonstrate that cognitive map significantly enhances the performance of both optimal and reachable planning generation ability in the Gridworld path planning task. We observe that our method showcases two key characteristics similar to human cognition: generalization of its planning ability to extrapolated environments and rapid adaptation with limited training data. We hope our findings in the Gridworld task provide insights into modeling human cognitive processes in language models, potentially leading to the development of more advanced and robust systems that better resemble human cognition.

Recovering 3D scenes from sparse views is a challenging task due to its inherent ill-posed problem. Conventional methods have developed specialized solutions (e.g., geometry regularization or feed-forward deterministic model) to mitigate the issue. However, they still suffer from performance degradation by minimal overlap across input views with insufficient visual information. Fortunately, recent video generative models show promise in addressing this challenge as they are capable of generating video clips with plausible 3D structures. Powered by large pretrained video diffusion models, some pioneering research start to explore the potential of video generative prior and create 3D scenes from sparse views. Despite impressive improvements, they are limited by slow inference time and the lack of 3D constraint, leading to inefficiencies and reconstruction artifacts that do not align with real-world geometry structure. In this paper, we propose VideoScene to distill the video diffusion model to generate 3D scenes in one step, aiming to build an efficient and effective tool to bridge the gap from video to 3D. Specifically, we design a 3D-aware leap flow distillation strategy to leap over time-consuming redundant information and train a dynamic denoising policy network to adaptively determine the optimal leap timestep during inference. Extensive experiments demonstrate that our VideoScene achieves faster and superior 3D scene generation results than previous video diffusion models, highlighting its potential as an efficient tool for future video to 3D applications. Project Page: https://hanyang-21.github.io/VideoScene

Masked diffusion language models (MDLMs) have recently emerged as a promising alternative to autoregressive (AR) language models, offering properties such as parallel decoding, flexible generation orders, and the potential for fewer inference steps. Despite these advantages, decoding strategies and reinforcement learning (RL) algorithms tailored for MDLMs remain underexplored. A naive approach is to directly transfer techniques well-established for AR models to MDLMs. However, this raises an immediate question: Is such a naive transfer truly optimal? For example, 1) Block-wise and semi-AR decoding strategies are not employed during the training of MDLMs, so why do they outperform full diffusion-style decoding during inference? 2) Applying RL algorithms designed for AR models directly to MDLMs exhibits a training-inference inconsistency, since MDLM decoding are non-causal (parallel). This results in inconsistencies between the rollout trajectory and the optimization trajectory. To address these challenges, we propose EOS Early Rejection (EOSER) and Ascending Step-Size (ASS) decoding scheduler, which unlock the potential of MDLMs to perform full diffusion-style decoding, achieving competitive performance with fewer decoding steps. Additionally, we introduce Consistency Trajectory Group Relative Policy Optimization (CJ-GRPO) for taming MDLMs, which emphasizes the consistency between rollout trajectory and optimization trajectory, and reduces the optimization errors caused by skip-step optimization. We conduct extensive experiments on reasoning tasks, such as mathematical and planning benchmarks, using LLaDA-8B-Instruct. The results demonstrate that the proposed EOSER and ASS mechanisms, together with CJ-GRPO, hold significant promise for effectively and efficiently taming MDLMs. Code: https://github.com/yjyddq/EOSER-ASS-RL.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Simple regret is a natural and parameter-free performance criterion for pure exploration in multi-armed bandits yet is less popular than the probability of missing the best arm or an epsilon-good arm, perhaps due to lack of easy ways to characterize it. In this paper, we make significant progress on minimizing simple regret in both data-rich (Tge n) and data-poor regime (T le n) where n is the number of arms, and T is the number of samples. At its heart is our improved instance-dependent analysis of the well-known Sequential Halving (SH) algorithm, where we bound the probability of returning an arm whose mean reward is not within epsilon from the best (i.e., not epsilon-good) for any choice of epsilon>0, although epsilon is not an input to SH. Our bound not only leads to an optimal worst-case simple regret bound of n/T up to logarithmic factors but also essentially matches the instance-dependent lower bound for returning an epsilon-good arm reported by Katz-Samuels and Jamieson (2020). For the more challenging data-poor regime, we propose Bracketing SH (BSH) that enjoys the same improvement even without sampling each arm at least once. Our empirical study shows that BSH outperforms existing methods on real-world tasks.

Learning optimal policies in sparse rewards settings is difficult as the learning agent has little to no feedback on the quality of its actions. In these situations, a good strategy is to focus on exploration, hopefully leading to the discovery of a reward signal to improve on. A learning algorithm capable of dealing with this kind of settings has to be able to (1) explore possible agent behaviors and (2) exploit any possible discovered reward. Efficient exploration algorithms have been proposed that require to define a behavior space, that associates to an agent its resulting behavior in a space that is known to be worth exploring. The need to define this space is a limitation of these algorithms. In this work, we introduce STAX, an algorithm designed to learn a behavior space on-the-fly and to explore it while efficiently optimizing any reward discovered. It does so by separating the exploration and learning of the behavior space from the exploitation of the reward through an alternating two-steps process. In the first step, STAX builds a repertoire of diverse policies while learning a low-dimensional representation of the high-dimensional observations generated during the policies evaluation. In the exploitation step, emitters are used to optimize the performance of the discovered rewarding solutions. Experiments conducted on three different sparse reward environments show that STAX performs comparably to existing baselines while requiring much less prior information about the task as it autonomously builds the behavior space.

Image-level contrastive representation learning has proven to be highly effective as a generic model for transfer learning. Such generality for transfer learning, however, sacrifices specificity if we are interested in a certain downstream task. We argue that this could be sub-optimal and thus advocate a design principle which encourages alignment between the self-supervised pretext task and the downstream task. In this paper, we follow this principle with a pretraining method specifically designed for the task of object detection. We attain alignment in the following three aspects: 1) object-level representations are introduced via selective search bounding boxes as object proposals; 2) the pretraining network architecture incorporates the same dedicated modules used in the detection pipeline (e.g. FPN); 3) the pretraining is equipped with object detection properties such as object-level translation invariance and scale invariance. Our method, called Selective Object COntrastive learning (SoCo), achieves state-of-the-art results for transfer performance on COCO detection using a Mask R-CNN framework. Code is available at https://github.com/hologerry/SoCo.

This paper addresses the difficult problem of finding an optimal neural architecture design for a given image classification task. We propose a method that aggregates two main results of the previous state-of-the-art in neural architecture search. These are, appealing to the strong sampling efficiency of a search scheme based on sequential model-based optimization (SMBO), and increasing training efficiency by sharing weights among sampled architectures. Sequential search has previously demonstrated its capabilities to find state-of-the-art neural architectures for image classification. However, its computational cost remains high, even unreachable under modest computational settings. Affording SMBO with weight-sharing alleviates this problem. On the other hand, progressive search with SMBO is inherently greedy, as it leverages a learned surrogate function to predict the validation error of neural architectures. This prediction is directly used to rank the sampled neural architectures. We propose to attenuate the greediness of the original SMBO method by relaxing the role of the surrogate function so it predicts architecture sampling probability instead. We demonstrate with experiments on the CIFAR-10 dataset that our method, denominated Efficient progressive neural architecture search (EPNAS), leads to increased search efficiency, while retaining competitiveness of found architectures.

Neural network pruning serves as a critical technique for enhancing the efficiency of deep learning models. Unlike unstructured pruning, which only sets specific parameters to zero, structured pruning eliminates entire channels, thus yielding direct computational and storage benefits. However, the diverse patterns for coupling parameters, such as residual connections and group convolutions, the diverse deep learning frameworks, and the various time stages at which pruning can be performed make existing pruning methods less adaptable to different architectures, frameworks, and pruning criteria. To address this, we introduce Structurally Prune Anything (SPA), a versatile structured pruning framework that can prune neural networks with any architecture, from any framework, and at any stage of training. SPA leverages a standardized computational graph and ONNX representation to prune diverse neural network architectures without the need for manual intervention. SPA employs a group-level importance estimation method, which groups dependent computational operators, estimates their importance, and prunes unimportant coupled channels. This enables the transfer of various existing pruning criteria into a structured group style. As a result, SPA supports pruning at any time, either before training, after training with fine-tuning, or after training without fine-tuning. In the context of the latter, we introduce Optimal Brain SPA (OBSPA), an algorithm that achieves state-of-the-art pruning results needing neither fine-tuning nor calibration data. In extensive experiments, SPA shows competitive to state-of-the-art pruning performance across various architectures, from popular frameworks, at different pruning times.

Automatic fact verification has become an increasingly popular topic in recent years and among datasets the Fact Extraction and VERification (FEVER) dataset is one of the most popular. In this work we present BEVERS, a tuned baseline system for the FEVER dataset. Our pipeline uses standard approaches for document retrieval, sentence selection, and final claim classification, however, we spend considerable effort ensuring optimal performance for each component. The results are that BEVERS achieves the highest FEVER score and label accuracy among all systems, published or unpublished. We also apply this pipeline to another fact verification dataset, Scifact, and achieve the highest label accuracy among all systems on that dataset as well. We also make our full code available.

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

Generative language models define distributions over sequences of tokens that can represent essentially any combination of data modalities (e.g., any permutation of image tokens from VQ-VAEs, speech tokens from HuBERT, BPE tokens for language or code, and so on). To better understand the scaling properties of such mixed-modal models, we conducted over 250 experiments using seven different modalities and model sizes ranging from 8 million to 30 billion, trained on 5-100 billion tokens. We report new mixed-modal scaling laws that unify the contributions of individual modalities and the interactions between them. Specifically, we explicitly model the optimal synergy and competition due to data and model size as an additive term to previous uni-modal scaling laws. We also find four empirical phenomena observed during the training, such as emergent coordinate-ascent style training that naturally alternates between modalities, guidelines for selecting critical hyper-parameters, and connections between mixed-modal competition and training stability. Finally, we test our scaling law by training a 30B speech-text model, which significantly outperforms the corresponding unimodal models. Overall, our research provides valuable insights into the design and training of mixed-modal generative models, an important new class of unified models that have unique distributional properties.

Accurate breast lesion risk estimation can significantly reduce unnecessary biopsies and help doctors decide optimal treatment plans. Most existing computer-aided systems rely solely on mammogram features to classify breast lesions. While this approach is convenient, it does not fully exploit useful information in clinical reports to achieve the optimal performance. Would clinical features significantly improve breast lesion classification compared to using mammograms alone? How to handle missing clinical information caused by variation in medical practice? What is the best way to combine mammograms and clinical features? There is a compelling need for a systematic study to address these fundamental questions. This paper investigates several multimodal deep networks based on feature concatenation, cross-attention, and co-attention to combine mammograms and categorical clinical variables. We show that the proposed architectures significantly increase the lesion classification performance (average area under ROC curves from 0.89 to 0.94). We also evaluate the model when clinical variables are missing.

Few-shot classification is a challenging problem due to the uncertainty caused by using few labelled samples. In the past few years, many methods have been proposed to solve few-shot classification, among which transfer-based methods have proved to achieve the best performance. Following this vein, in this paper we propose a novel transfer-based method that builds on two successive steps: 1) preprocessing the feature vectors so that they become closer to Gaussian-like distributions, and 2) leveraging this preprocessing using an optimal-transport inspired algorithm (in the case of transductive settings). Using standardized vision benchmarks, we prove the ability of the proposed methodology to achieve state-of-the-art accuracy with various datasets, backbone architectures and few-shot settings.

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

Deep neural networks (DNNs) trained for image denoising are able to generate high-quality samples with score-based reverse diffusion algorithms. These impressive capabilities seem to imply an escape from the curse of dimensionality, but recent reports of memorization of the training set raise the question of whether these networks are learning the "true" continuous density of the data. Here, we show that two DNNs trained on non-overlapping subsets of a dataset learn nearly the same score function, and thus the same density, when the number of training images is large enough. In this regime of strong generalization, diffusion-generated images are distinct from the training set, and are of high visual quality, suggesting that the inductive biases of the DNNs are well-aligned with the data density. We analyze the learned denoising functions and show that the inductive biases give rise to a shrinkage operation in a basis adapted to the underlying image. Examination of these bases reveals oscillating harmonic structures along contours and in homogeneous regions. We demonstrate that trained denoisers are inductively biased towards these geometry-adaptive harmonic bases since they arise not only when the network is trained on photographic images, but also when it is trained on image classes supported on low-dimensional manifolds for which the harmonic basis is suboptimal. Finally, we show that when trained on regular image classes for which the optimal basis is known to be geometry-adaptive and harmonic, the denoising performance of the networks is near-optimal.

Selecting informative data points for expert feedback can significantly improve the performance of anomaly detection (AD) in various contexts, such as medical diagnostics or fraud detection. In this paper, we determine a set of theoretical conditions under which anomaly scores generalize from labeled queries to unlabeled data. Motivated by these results, we propose a data labeling strategy with optimal data coverage under labeling budget constraints. In addition, we propose a new learning framework for semi-supervised AD. Extensive experiments on image, tabular, and video data sets show that our approach results in state-of-the-art semi-supervised AD performance under labeling budget constraints.

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~a Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We prove a faster linear convergence result when a Polyak-{\L}ojasiewicz (P{\L}) condition holds. To our knowledge, this work is the first to provide non-asymptotic convergence guarantees -- variance-reduced or not -- for a cyclic block coordinate method in general composite (smooth + nonsmooth) nonconvex settings. Our experimental results demonstrate the efficacy of the proposed cyclic scheme in training deep neural nets.

The utility of reinforcement learning is limited by the alignment of reward functions with the interests of human stakeholders. One promising method for alignment is to learn the reward function from human-generated preferences between pairs of trajectory segments, a type of reinforcement learning from human feedback (RLHF). These human preferences are typically assumed to be informed solely by partial return, the sum of rewards along each segment. We find this assumption to be flawed and propose modeling human preferences instead as informed by each segment's regret, a measure of a segment's deviation from optimal decision-making. Given infinitely many preferences generated according to regret, we prove that we can identify a reward function equivalent to the reward function that generated those preferences, and we prove that the previous partial return model lacks this identifiability property in multiple contexts. We empirically show that our proposed regret preference model outperforms the partial return preference model with finite training data in otherwise the same setting. Additionally, we find that our proposed regret preference model better predicts real human preferences and also learns reward functions from these preferences that lead to policies that are better human-aligned. Overall, this work establishes that the choice of preference model is impactful, and our proposed regret preference model provides an improvement upon a core assumption of recent research. We have open sourced our experimental code, the human preferences dataset we gathered, and our training and preference elicitation interfaces for gathering a such a dataset.

Large language models exhibit systematic deficiencies in creative writing, particularly in non-English contexts where training data is scarce and lacks process-level supervision. We present COIG-Writer, a novel Chinese creative writing dataset that captures both diverse outputs and their underlying thought processes through systematic reverse-engineering of high-quality texts. Unlike existing datasets that provide only input-output pairs, COIG-Writer comprises 1,665 meticulously curated triplets spanning 51 genres, each containing: (1) a reverse-engineered prompt, (2) detailed creative reasoning documenting decision-making processes, and (3) the final text. Through comprehensive experiments, we identify a two-component model of creative writing: narrative logic (provided by process supervision) and linguistic expression (maintained by general-purpose data). Our findings reveal three critical insights: (1) Process supervision is highly effective but requires stabilization with general data. A ratio of at least one creative sample to twelve general samples is needed to achieve optimal performance; below this threshold, the win rate progressively degrades (from 62.75% down to 35.78%)., (2) creative capabilities are culturally-bound with no cross-lingual transfer (89.26pp gap between Chinese and English performance), and (3) lexical diversity inversely correlates with creative quality (TTR paradox), suggesting high diversity signals compensatory behavior for logical deficiencies. These findings establish that creative excellence emerges from the interaction between logical scaffolding and linguistic grounding, analogous to how mathematical reasoning enhances but cannot replace linguistic competence in foundation models.

Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.

Contrastive learning methods for unsupervised visual representation learning have reached remarkable levels of transfer performance. We argue that the power of contrastive learning has yet to be fully unleashed, as current methods are trained only on instance-level pretext tasks, leading to representations that may be sub-optimal for downstream tasks requiring dense pixel predictions. In this paper, we introduce pixel-level pretext tasks for learning dense feature representations. The first task directly applies contrastive learning at the pixel level. We additionally propose a pixel-to-propagation consistency task that produces better results, even surpassing the state-of-the-art approaches by a large margin. Specifically, it achieves 60.2 AP, 41.4 / 40.5 mAP and 77.2 mIoU when transferred to Pascal VOC object detection (C4), COCO object detection (FPN / C4) and Cityscapes semantic segmentation using a ResNet-50 backbone network, which are 2.6 AP, 0.8 / 1.0 mAP and 1.0 mIoU better than the previous best methods built on instance-level contrastive learning. Moreover, the pixel-level pretext tasks are found to be effective for pre-training not only regular backbone networks but also head networks used for dense downstream tasks, and are complementary to instance-level contrastive methods. These results demonstrate the strong potential of defining pretext tasks at the pixel level, and suggest a new path forward in unsupervised visual representation learning. Code is available at https://github.com/zdaxie/PixPro.

When training neural networks, it has been widely observed that a large step size is essential in stochastic gradient descent (SGD) for obtaining superior models. However, the effect of large step sizes on the success of SGD is not well understood theoretically. Several previous works have attributed this success to the stochastic noise present in SGD. However, we show through a novel set of experiments that the stochastic noise is not sufficient to explain good non-convex training, and that instead the effect of a large learning rate itself is essential for obtaining best performance.We demonstrate the same effects also in the noise-less case, i.e. for full-batch GD. We formally prove that GD with large step size -- on certain non-convex function classes -- follows a different trajectory than GD with a small step size, which can lead to convergence to a global minimum instead of a local one. Our settings provide a framework for future analysis which allows comparing algorithms based on behaviors that can not be observed in the traditional settings.

Advancing LLM reasoning skills has captivated wide interest. However, current post-training techniques rely heavily on supervisory signals, such as outcome supervision or auxiliary reward models, which face the problem of scalability and high annotation costs. This motivates us to enhance LLM reasoning without the need for external supervision. We introduce a generalizable and purely unsupervised self-training framework, named Genius. Without external auxiliary, Genius requires to seek the optimal response sequence in a stepwise manner and optimize the LLM. To explore the potential steps and exploit the optimal ones, Genius introduces a stepwise foresight re-sampling strategy to sample and estimate the step value by simulating future outcomes. Further, we recognize that the unsupervised setting inevitably induces the intrinsic noise and uncertainty. To provide a robust optimization, we propose an advantage-calibrated optimization (ACO) loss function to mitigate estimation inconsistencies. Combining these techniques together, Genius provides an advanced initial step towards self-improve LLM reasoning with general queries and without supervision, revolutionizing reasoning scaling laws given the vast availability of general queries. The code will be released at https://github.com/xufangzhi/Genius.

Differentially Private Stochastic Gradient Descent (DP-SGD) limits the amount of private information deep learning models can memorize during training. This is achieved by clipping and adding noise to the model's gradients, and thus networks with more parameters require proportionally stronger perturbation. As a result, large models have difficulties learning useful information, rendering training with DP-SGD exceedingly difficult on more challenging training tasks. Recent research has focused on combating this challenge through training adaptations such as heavy data augmentation and large batch sizes. However, these techniques further increase the computational overhead of DP-SGD and reduce its practical applicability. In this work, we propose using the principle of sparse model design to solve precisely such complex tasks with fewer parameters, higher accuracy, and in less time, thus serving as a promising direction for DP-SGD. We achieve such sparsity by design by introducing equivariant convolutional networks for model training with Differential Privacy. Using equivariant networks, we show that small and efficient architecture design can outperform current state-of-the-art models with substantially lower computational requirements. On CIFAR-10, we achieve an increase of up to 9% in accuracy while reducing the computation time by more than 85%. Our results are a step towards efficient model architectures that make optimal use of their parameters and bridge the privacy-utility gap between private and non-private deep learning for computer vision.

We consider multi-draft speculative sampling, where the proposal sequences are sampled independently from different draft models. At each step, a token-level draft selection scheme takes a list of valid tokens as input and produces an output token whose distribution matches that of the target model. Previous works have demonstrated that the optimal scheme (which maximizes the probability of accepting one of the input tokens) can be cast as a solution to a linear program. In this work we show that the optimal scheme can be decomposed into a two-step solution: in the first step an importance sampling (IS) type scheme is used to select one intermediate token; in the second step (single-draft) speculative sampling is applied to generate the output token. For the case of two identical draft models we further 1) establish a necessary and sufficient condition on the distributions of the target and draft models for the acceptance probability to equal one and 2) provide an explicit expression for the optimal acceptance probability. Our theoretical analysis also motives a new class of token-level selection scheme based on weighted importance sampling. Our experimental results demonstrate consistent improvements in the achievable block efficiency and token rates over baseline schemes in a number of scenarios.

Energy in Wireless Sensor Networks (WSNs) is critical to network lifetime and data delivery. However, the primary impediment to the durability and dependability of these sensor nodes is their short battery life. Currently, power-saving algorithms such as clustering and routing algorithms have improved energy efficiency in standard protocols. This paper proposes a clustering-based routing approach for creating an adaptive, energy-efficient mechanism. Our system employs a multi-step clustering strategy to select dynamic cluster heads (CH) with optimal energy distribution. We use Game Theory (GT) and Reinforcement Learning (RL) to optimize resource utilization. Modeling the network as a multi-agent RL problem using GT principles allows for self-clustering while optimizing sensor lifetime and energy balance. The proposed AI-powered CH-Finding algorithm improves network efficiency by preventing premature energy depletion in specific nodes while also ensuring uniform energy usage across the network. Our solution enables controlled power consumption, resulting in a deterministic network lifetime. This predictability lowers maintenance costs by reducing the need for node replacement. Furthermore, our proposed method prevents sensor nodes from disconnecting from the network by designating the sensor with the highest charge as an intermediary and using single-hop routing. This approach improves the energy efficiency and stability of Wireless Sensor Network (WSN) deployments.

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) with multiple passes (epochs) over a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. We formalize the problem of DP mechanisms for adaptive streams with multiple participations and introduce a non-trivial extension of online matrix factorization DP mechanisms to our setting. This includes establishing the necessary theory for sensitivity calculations and efficient computation of optimal matrices. For some applications like >!! 10,000 SGD steps, applying these optimal techniques becomes computationally expensive. We thus design an efficient Fourier-transform-based mechanism with only a minor utility loss. Extensive empirical evaluation on both example-level DP for image classification and user-level DP for language modeling demonstrate substantial improvements over all previous methods, including the widely-used DP-SGD . Though our primary application is to ML, our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.

Current methods for large language model alignment typically use scalar human preference labels. However, this convention tends to oversimplify the multi-dimensional and heterogeneous nature of human preferences, leading to reduced expressivity and even misalignment. This paper presents Panacea, an innovative approach that reframes alignment as a multi-dimensional preference optimization problem. Panacea trains a single model capable of adapting online and Pareto-optimally to diverse sets of preferences without the need for further tuning. A major challenge here is using a low-dimensional preference vector to guide the model's behavior, despite it being governed by an overwhelmingly large number of parameters. To address this, Panacea is designed to use singular value decomposition (SVD)-based low-rank adaptation, which allows the preference vector to be simply injected online as singular values. Theoretically, we prove that Panacea recovers the entire Pareto front with common loss aggregation methods under mild conditions. Moreover, our experiments demonstrate, for the first time, the feasibility of aligning a single LLM to represent a spectrum of human preferences through various optimization methods. Our work marks a step forward in effectively and efficiently aligning models to diverse and intricate human preferences in a controllable and Pareto-optimal manner.

Existing research on large language models (LLMs) shows that they can solve information extraction tasks through multi-step planning. However, their extraction behavior on complex sentences and tasks is unstable, emerging issues such as false positives and missing elements. We observe that decomposing complex extraction tasks and extracting them step by step can effectively improve LLMs' performance, and the extraction orders of entities significantly affect the final results of LLMs. This paper proposes a two-stage multi-step method for LLM-based information extraction and adopts the RL framework to execute the multi-step planning. We regard sequential extraction as a Markov decision process, build an LLM-based extraction environment, design a decision module to adaptively provide the optimal order for sequential entity extraction on different sentences, and utilize the DDQN algorithm to train the decision model. We also design the rewards and evaluation metrics suitable for the extraction results of LLMs. We conduct extensive experiments on multiple public datasets to demonstrate the effectiveness of our method in improving the information extraction capabilities of LLMs.

Large Language Models (LLMs) exhibit impressive reasoning abilities, yet their reliance on structured step-by-step processing reveals a critical limitation. While human cognition fluidly adapts between intuitive, heuristic (System 1) and analytical, deliberative (System 2) reasoning depending on the context, LLMs lack this dynamic flexibility. This rigidity can lead to brittle and unreliable performance when faced with tasks that deviate from their trained patterns. To address this, we create a dataset of 2,000 samples with valid System 1 and System 2 answers, explicitly align LLMs with these reasoning styles, and evaluate their performance across reasoning benchmarks. Our results reveal an accuracy-efficiency trade-off: System 2-aligned models excel in arithmetic and symbolic reasoning, while System 1-aligned models perform better in commonsense tasks. A mechanistic analysis of model responses shows that System 1 models employ more definitive answers, whereas System 2 models demonstrate greater uncertainty. Interpolating between these extremes produces a monotonic transition in reasoning accuracy, preserving coherence. This work challenges the assumption that step-by-step reasoning is always optimal and highlights the need for adapting reasoning strategies based on task demands.

Extending the context length (i.e., the maximum supported sequence length) of LLMs is of paramount significance. To facilitate long context training of LLMs, sequence parallelism has emerged as an essential technique, which scatters each input sequence across multiple devices and necessitates communication to process the sequence. In essence, existing sequence parallelism methods assume homogeneous sequence lengths (i.e., all input sequences are equal in length) and therefore leverages a single, static scattering strategy for all input sequences. However, in reality, the sequence lengths in LLM training corpora exhibit substantial variability, often following a long-tail distribution, which leads to workload heterogeneity. In this paper, we show that employing a single, static strategy results in inefficiency and resource under-utilization, highlighting the need for adaptive approaches to handle the heterogeneous workloads across sequences. To address this, we propose a heterogeneity-adaptive sequence parallelism method. For each training step, our approach captures the variability in sequence lengths and assigns the optimal combination of scattering strategies based on workload characteristics. We model this problem as a linear programming optimization and design an efficient and effective solver to find the optimal solution. Furthermore, we implement our method in a high-performance system that supports adaptive parallelization in distributed LLM training. Experimental results demonstrate that our system outperforms state-of-the-art training frameworks by up to 1.98x.

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.

Neural networks trained by gradient descent (GD) have exhibited a number of surprising generalization behaviors. First, they can achieve a perfect fit to noisy training data and still generalize near-optimally, showing that overfitting can sometimes be benign. Second, they can undergo a period of classical, harmful overfitting -- achieving a perfect fit to training data with near-random performance on test data -- before transitioning ("grokking") to near-optimal generalization later in training. In this work, we show that both of these phenomena provably occur in two-layer ReLU networks trained by GD on XOR cluster data where a constant fraction of the training labels are flipped. In this setting, we show that after the first step of GD, the network achieves 100% training accuracy, perfectly fitting the noisy labels in the training data, but achieves near-random test accuracy. At a later training step, the network achieves near-optimal test accuracy while still fitting the random labels in the training data, exhibiting a "grokking" phenomenon. This provides the first theoretical result of benign overfitting in neural network classification when the data distribution is not linearly separable. Our proofs rely on analyzing the feature learning process under GD, which reveals that the network implements a non-generalizable linear classifier after one step and gradually learns generalizable features in later steps.

Subject-consistent generation (SCG)-aiming to maintain a consistent subject identity across diverse scenes-remains a challenge for text-to-image (T2I) models. Existing training-free SCG methods often achieve consistency at the cost of layout and pose diversity, hindering expressive visual storytelling. To address the limitation, we propose subject-Consistent and pose-Diverse T2I framework, dubbed as CoDi, that enables consistent subject generation with diverse pose and layout. Motivated by the progressive nature of diffusion, where coarse structures emerge early and fine details are refined later, CoDi adopts a two-stage strategy: Identity Transport (IT) and Identity Refinement (IR). IT operates in the early denoising steps, using optimal transport to transfer identity features to each target image in a pose-aware manner. This promotes subject consistency while preserving pose diversity. IR is applied in the later denoising steps, selecting the most salient identity features to further refine subject details. Extensive qualitative and quantitative results on subject consistency, pose diversity, and prompt fidelity demonstrate that CoDi achieves both better visual perception and stronger performance across all metrics. The code is provided in https://github.com/NJU-PCALab/CoDi.

Diffusion language models have emerged as a promising approach for text generation. One would naturally expect this method to be an efficient replacement for autoregressive models since multiple tokens can be sampled in parallel during each diffusion step. However, its efficiency-accuracy trade-off is not yet well understood. In this paper, we present a rigorous theoretical analysis of a widely used type of diffusion language model, the Masked Diffusion Model (MDM), and find that its effectiveness heavily depends on the target evaluation metric. Under mild conditions, we prove that when using perplexity as the metric, MDMs can achieve near-optimal perplexity in sampling steps regardless of sequence length, demonstrating that efficiency can be achieved without sacrificing performance. However, when using the sequence error rate--which is important for understanding the "correctness" of a sequence, such as a reasoning chain--we show that the required sampling steps must scale linearly with sequence length to obtain "correct" sequences, thereby eliminating MDM's efficiency advantage over autoregressive models. Our analysis establishes the first theoretical foundation for understanding the benefits and limitations of MDMs. All theoretical findings are supported by empirical studies.

Autoregressive language models demonstrate excellent performance in various scenarios. However, the inference efficiency is limited by its one-step-one-word generation mode, which has become a pressing problem recently as the models become increasingly larger. Speculative decoding employs a "draft and then verify" mechanism to allow multiple tokens to be generated in one step, realizing lossless acceleration. Existing methods mainly adopt fixed heuristic draft structures, which fail to adapt to different situations to maximize the acceptance length during verification. To alleviate this dilemma, we proposed OPT-Tree, an algorithm to construct adaptive and scalable draft trees. It searches the optimal tree structure that maximizes the mathematical expectation of the acceptance length in each decoding step. Experimental results reveal that OPT-Tree outperforms the existing draft structures and achieves a speed-up ratio of up to 3.2 compared with autoregressive decoding. If the draft model is powerful enough and the node budget is sufficient, it can generate more than ten tokens in a single step. Our code is available at https://github.com/Jikai0Wang/OPT-Tree.

Large language models (LLMs) are increasingly used across society, including in domains like business, engineering, and medicine. These fields often grapple with decision-making under uncertainty, a critical yet challenging task. In this paper, we show that directly prompting LLMs on these types of decision-making problems yields poor results, especially as the problem complexity increases. To overcome this limitation, we propose DeLLMa (Decision-making Large Language Model assistant), a framework designed to enhance decision-making accuracy in uncertain environments. DeLLMa involves a multi-step scaffolding procedure, drawing upon principles from decision theory and utility theory, to provide an optimal and human-auditable decision-making process. We validate our framework on decision-making environments involving real agriculture and finance data. Our results show that DeLLMa can significantly improve LLM decision-making performance, achieving up to a 40% increase in accuracy over competing methods.

During the preference optimization of large language models (LLMs), distribution shifts may arise between newly generated model samples and the data used to train the reward model (RM). This shift reduces the efficacy of the RM, which in turn negatively impacts the performance of the policy model (PM). To address this challenge, we propose Mutual-Taught, a self-training method that iteratively improves both the PM and RM without requiring additional human annotation. Our approach mirrors the expectation-maximization (EM) algorithm. In the E-step, the PM is updated using feedback from the current RM, guiding the PM toward a better approximation of the latent optimal preference distribution. In the M-step, we update the RM by constructing training data from the outputs of the PM before and after the E-step update. This process ensures that the RM adapts to the evolving policy distribution. Experimental results demonstrate that this iterative approach leads to consistent improvements in both models. Specifically, our 8B policy model, LLaMA-3-8B-Instruct-MT, achieves a length-controlled win rate of 54.1\% on AlpacaEval-2, while our 8B reward model, FsfairX-LLaMA3-RM-MT, performs on par with GPT-4o-2024-08-06 on RewardBench.

This paper investigates the use of large-scale diffusion models for Zero-Shot Video Object Segmentation (ZS-VOS) without fine-tuning on video data or training on any image segmentation data. While diffusion models have demonstrated strong visual representations across various tasks, their direct application to ZS-VOS remains underexplored. Our goal is to find the optimal feature extraction process for ZS-VOS by identifying the most suitable time step and layer from which to extract features. We further analyze the affinity of these features and observe a strong correlation with point correspondences. Through extensive experiments on DAVIS-17 and MOSE, we find that diffusion models trained on ImageNet outperform those trained on larger, more diverse datasets for ZS-VOS. Additionally, we highlight the importance of point correspondences in achieving high segmentation accuracy, and we yield state-of-the-art results in ZS-VOS. Finally, our approach performs on par with models trained on expensive image segmentation datasets.

While language models have shown remarkable performance across diverse tasks, they still encounter challenges in complex reasoning scenarios. Recent research suggests that language models trained on linearized search traces toward solutions, rather than solely on the final solutions, exhibit improved generalization, despite the search traces being potentially noisy or suboptimal. However, relying on such imperfect traces can result in inefficient use of test-time compute. To address this, we propose guided reinforced self-training (Guided-ReST), a fine-tuning algorithm designed to improve the model's capability for effective search during inference. The key insight behind Guided-ReST is that optimal solutions can serve as valuable step-by-step landmarks to guide the model's search process. Based on this insight, we introduce a novel data generation method that seamlessly incorporates optimal solutions into the model's search procedure, enabling the generation of high-quality search traces. By fine-tuning the model on these search traces, we effectively distill improved search strategies into the model. Our method significantly enhances the search capabilities of language models on arithmetic reasoning and code self-repair tasks, including Countdown, CodeContests, and CodeForces. We release the source code at https://github.com/snu-mllab/guided-rest.

Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the multi-modality and noise-sensitive nature of molecule geometry. This work introduces Geometric Bayesian Flow Networks (GeoBFN), which naturally fits molecule geometry by modeling diverse modalities in the differentiable parameter space of distributions. GeoBFN maintains the SE-(3) invariant density modeling property by incorporating equivariant inter-dependency modeling on parameters of distributions and unifying the probabilistic modeling of different modalities. Through optimized training and sampling techniques, we demonstrate that GeoBFN achieves state-of-the-art performance on multiple 3D molecule generation benchmarks in terms of generation quality (90.87% molecule stability in QM9 and 85.6% atom stability in GEOM-DRUG. GeoBFN can also conduct sampling with any number of steps to reach an optimal trade-off between efficiency and quality (e.g., 20-times speedup without sacrificing performance).

Reinforcement learning has recently been used to approach well-known NP-hard combinatorial problems in graph theory. Among these problems, Hamiltonian cycle problems are exceptionally difficult to analyze, even when restricted to individual instances of structurally complex graphs. In this paper, we use Monte Carlo Tree Search (MCTS), the search algorithm behind many state-of-the-art reinforcement learning algorithms such as AlphaZero, to create autonomous agents that learn to play the game of Snake, a game centered on properties of Hamiltonian cycles on grid graphs. The game of Snake can be formulated as a single-player discounted Markov Decision Process (MDP) where the agent must behave optimally in a stochastic environment. Determining the optimal policy for Snake, defined as the policy that maximizes the probability of winning - or win rate - with higher priority and minimizes the expected number of time steps to win with lower priority, is conjectured to be NP-hard. Performance-wise, compared to prior work in the Snake game, our algorithm is the first to achieve a win rate over 0.5 (a uniform random policy achieves a win rate < 2.57 times 10^{-15}), demonstrating the versatility of AlphaZero in approaching NP-hard environments.

In this technical report, we present Magic 1-For-1 (Magic141), an efficient video generation model with optimized memory consumption and inference latency. The key idea is simple: factorize the text-to-video generation task into two separate easier tasks for diffusion step distillation, namely text-to-image generation and image-to-video generation. We verify that with the same optimization algorithm, the image-to-video task is indeed easier to converge over the text-to-video task. We also explore a bag of optimization tricks to reduce the computational cost of training the image-to-video (I2V) models from three aspects: 1) model convergence speedup by using a multi-modal prior condition injection; 2) inference latency speed up by applying an adversarial step distillation, and 3) inference memory cost optimization with parameter sparsification. With those techniques, we are able to generate 5-second video clips within 3 seconds. By applying a test time sliding window, we are able to generate a minute-long video within one minute with significantly improved visual quality and motion dynamics, spending less than 1 second for generating 1 second video clips on average. We conduct a series of preliminary explorations to find out the optimal tradeoff between computational cost and video quality during diffusion step distillation and hope this could be a good foundation model for open-source explorations. The code and the model weights are available at https://github.com/DA-Group-PKU/Magic-1-For-1.

Large Language Models (LLMs) employ multi-turn interaction as a fundamental paradigm for completing complex tasks. However, their performance often degrades in extended interactions, as they are typically trained on static, single-turn data, which hinders their ability to adapt to real-time user feedback. To address this limitation, we first propose a new paradigm: Test-Time Policy Adaptation for Multi-Turn Interactions (T2PAM), which utilizes user feedback from the ongoing interaction as a reward signal to estimate a latent optimal policy aligned with user preferences, then updates a small subset of parameters to steer the model toward this policy, ultimately enabling efficient in-conversation self-correction. We then introduce Optimum-Referenced One-Step Adaptation (ROSA), a lightweight algorithm that operationalizes T2PAM. ROSA guides the model parameters toward a theoretical optimal policy in a single, efficient update step, avoiding costly iterative gradient-based optimization and minimizing computational overhead. We provide a rigorous theoretical analysis guaranteeing that the policy of ROSA converges to the preference of user as the number of interactions increases. Extensive experiments on challenging benchmark demonstrate that ROSA achieves significant improvements in both task effectiveness and efficiency.

In the field of decision trees, most previous studies have difficulty ensuring the statistical optimality of a prediction of new data and suffer from overfitting because trees are usually used only to represent prediction functions to be constructed from given data. In contrast, some studies, including this paper, used the trees to represent stochastic data observation processes behind given data. Moreover, they derived the statistically optimal prediction, which is robust against overfitting, based on the Bayesian decision theory by assuming a prior distribution for the trees. However, these studies still have a problem in computing this Bayes optimal prediction because it involves an infeasible summation for all division patterns of a feature space, which is represented by the trees and some parameters. In particular, an open problem is a summation with respect to combinations of division axes, i.e., the assignment of features to inner nodes of the tree. We solve this by a Markov chain Monte Carlo method, whose step size is adaptively tuned according to a posterior distribution for the trees.

Diffusion Probabilistic Models (DPMs) have recently demonstrated impressive results on various generative tasks.Despite its promises, the learned representations of pre-trained DPMs, however, have not been fully understood. In this paper, we conduct an in-depth investigation of the representation power of DPMs, and propose a novel knowledge transfer method that leverages the knowledge acquired by generative DPMs for recognition tasks. Our study begins by examining the feature space of DPMs, revealing that DPMs are inherently denoising autoencoders that balance the representation learning with regularizing model capacity. To this end, we introduce a novel knowledge transfer paradigm named RepFusion. Our paradigm extracts representations at different time steps from off-the-shelf DPMs and dynamically employs them as supervision for student networks, in which the optimal time is determined through reinforcement learning. We evaluate our approach on several image classification, semantic segmentation, and landmark detection benchmarks, and demonstrate that it outperforms state-of-the-art methods. Our results uncover the potential of DPMs as a powerful tool for representation learning and provide insights into the usefulness of generative models beyond sample generation. The code is available at https://github.com/Adamdad/Repfusion.

3D indoor scenes are widely used in computer graphics, with applications ranging from interior design to gaming to virtual and augmented reality. They also contain rich information, including room layout, as well as furniture type, geometry, and placement. High-quality 3D indoor scenes are highly demanded while it requires expertise and is time-consuming to design high-quality 3D indoor scenes manually. Existing research only addresses partial problems: some works learn to generate room layout, and other works focus on generating detailed structure and geometry of individual furniture objects. However, these partial steps are related and should be addressed together for optimal synthesis. We propose SCENEHGN, a hierarchical graph network for 3D indoor scenes that takes into account the full hierarchy from the room level to the object level, then finally to the object part level. Therefore for the first time, our method is able to directly generate plausible 3D room content, including furniture objects with fine-grained geometry, and their layout. To address the challenge, we introduce functional regions as intermediate proxies between the room and object levels to make learning more manageable. To ensure plausibility, our graph-based representation incorporates both vertical edges connecting child nodes with parent nodes from different levels, and horizontal edges encoding relationships between nodes at the same level. Extensive experiments demonstrate that our method produces superior generation results, even when comparing results of partial steps with alternative methods that can only achieve these. We also demonstrate that our method is effective for various applications such as part-level room editing, room interpolation, and room generation by arbitrary room boundaries.

Large language models (LLMs) have shown remarkable progress in complex reasoning tasks, largely enabled by test-time scaling (TTS) paradigms that allocate additional compute during inference. Among these, external TTS (particularly the Best-of-N selection paradigm) yields scalable performance improvements by selecting from multiple independently generated reasoning trajectories. However, this approach faces key limitations: (i) the high computational overhead of deploying process reward models, (ii) the underutilization of the LLM's intrinsic latent representations. We introduce TrajSelector, an efficient and effective Best-of-N framework that exploit the hidden states in the sampler LLM for process-level scoring. A lightweight verifier (with only 0.6B parameters) evaluates the quality of step-wise trajectory, and then aggregates these scores to identify the optimal reasoning trajectory. Our framework employs a fully data-driven, end-to-end training recipe that eliminates reliance on massive step-level annotations. Experiential results across five benchmarks demonstrate that TrajSelector delivers consistent performance gains. In Best-of-32 settings, it surpasses majority voting by 4.61% accuracy and outperforms existing process reward models by 4.31% to 12.21%, all while maintaining lower inference costs.

Modern Large Language Models achieve impressive reasoning capabilities with long Chain of Thoughts, but they incur substantial computational cost during inference, and this motivates techniques to improve the performance-cost ratio. Among these techniques, Speculative Decoding accelerates inference by employing a fast but inaccurate draft model to autoregressively propose tokens, which are then verified in parallel by a more capable target model. However, due to unnecessary rejections caused by token mismatches in semantically equivalent steps, traditional token-level Speculative Decoding struggles in reasoning tasks. Although recent works have shifted to step-level semantic verification, which improve efficiency by accepting or rejecting entire reasoning steps, existing step-level methods still regenerate many rejected steps with little improvement, wasting valuable target compute. To address this challenge, we propose Arbitrage, a novel step-level speculative generation framework that routes generation dynamically based on the relative advantage between draft and target models. Instead of applying a fixed acceptance threshold, Arbitrage uses a lightweight router trained to predict when the target model is likely to produce a meaningfully better step. This routing approximates an ideal Arbitrage Oracle that always chooses the higher-quality step, achieving near-optimal efficiency-accuracy trade-offs. Across multiple mathematical reasoning benchmarks, Arbitrage consistently surpasses prior step-level Speculative Decoding baselines, reducing inference latency by up to sim2times at matched accuracy.

Differentiable Architecture Search (DARTS) is a simple yet efficient Neural Architecture Search (NAS) method. During the search stage, DARTS trains a supernet by jointly optimizing architecture parameters and network parameters. During the evaluation stage, DARTS discretizes the supernet to derive the optimal architecture based on architecture parameters. However, recent research has shown that during the training process, the supernet tends to converge towards sharp minima rather than flat minima. This is evidenced by the higher sharpness of the loss landscape of the supernet, which ultimately leads to a performance gap between the supernet and the optimal architecture. In this paper, we propose Self-Distillation Differentiable Neural Architecture Search (SD-DARTS) to alleviate the discretization gap. We utilize self-distillation to distill knowledge from previous steps of the supernet to guide its training in the current step, effectively reducing the sharpness of the supernet's loss and bridging the performance gap between the supernet and the optimal architecture. Furthermore, we introduce the concept of voting teachers, where multiple previous supernets are selected as teachers, and their output probabilities are aggregated through voting to obtain the final teacher prediction. Experimental results on real datasets demonstrate the advantages of our novel self-distillation-based NAS method compared to state-of-the-art alternatives.

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to efficiently navigate chemical space. Scientific foundation models trained on large unlabeled datasets offer a path toward exploring chemical space across diverse application domains. Here we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenization scheme that comprehensively captures nuclear, electronic, and geometric information, MIST learns from a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure -- property relationships and match or exceed state-of-the-art performance across benchmarks spanning physiology, electrochemistry, and quantum chemistry. We demonstrate the ability of these models to solve real-world problems across chemical space, including multiobjective electrolyte solvent screening, olfactory perception mapping, isotope half-life prediction, stereochemical reasoning for chiral organometallic compounds, and binary and multi-component mixture property prediction. Probing MIST models using mechanistic interpretability methods reveals identifiable patterns and trends not explicitly present in the training data, suggesting that the models learn generalizable scientific concepts. We formulate hyperparameter-penalized Bayesian neural scaling laws and use them to reduce the computational cost of model development by an order of magnitude. The methods and findings presented here represent a significant step toward accelerating materials discovery, design, and optimization using foundation models and provide valuable guidance for training compute-optimal scientific foundation models.

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.

Previous results have shown that a two time-scale update rule (TTUR) using different learning rates, such as different constant rates or different decaying rates, is useful for training generative adversarial networks (GANs) in theory and in practice. Moreover, not only the learning rate but also the batch size is important for training GANs with TTURs and they both affect the number of steps needed for training. This paper studies the relationship between batch size and the number of steps needed for training GANs with TTURs based on constant learning rates. We theoretically show that, for a TTUR with constant learning rates, the number of steps needed to find stationary points of the loss functions of both the discriminator and generator decreases as the batch size increases and that there exists a critical batch size minimizing the stochastic first-order oracle (SFO) complexity. Then, we use the Fr'echet inception distance (FID) as the performance measure for training and provide numerical results indicating that the number of steps needed to achieve a low FID score decreases as the batch size increases and that the SFO complexity increases once the batch size exceeds the measured critical batch size. Moreover, we show that measured critical batch sizes are close to the sizes estimated from our theoretical results.