ICML 2025 论文列表

Reinforcement learning from human feedback (RLHF), which aligns a diffusion model with input prompt, has become a crucial step in building reliable generative AI models. Most works in this area uses a *discrete-time* formulation, which is prone to induced errors, and often not applicable to models with higher-order/black-box solvers. The objective of this study is to develop a disciplined approach to fine-tuning diffusion models using *continuous-time* RL, formulated as a stochastic control problem with a reward function that aligns the end result (terminal state) with input prompt. The key idea is to treat score matching as controls or actions, and thereby connecting to policy optimization and regularization in continuous-time RL. To carry out this idea, we lay out a new policy optimization framework for continuous-time RL, and illustrate its potential in enhancing the value networks design space via leveraging the structural property of diffusion models. We validate the advantages of our method by experiments in downstream tasks of fine-tuning large-scale Text2Image models, Stable Diffusion v1.5.

Rainbow Deep Q-Network (DQN) demonstrated combining multiple independent enhancements could significantly boost a reinforcement learning (RL) agent’s performance. In this paper, we present “Beyond The Rainbow” (BTR), a novel algorithm that integrates six improvements from across the RL literature to Rainbow DQN, establishing a new state-of-the-art for RL using a desktop PC, with a human-normalized interquartile mean (IQM) of 7.6 on Atari-60. Beyond Atari, we demonstrate BTR’s capability to handle complex 3D games, successfully training agents to play Super Mario Galaxy, Mario Kart, and Mortal Kombat with minimal algorithmic changes. Designing BTR with computational efficiency in mind, agents can be trained using a high-end desktop PC on 200 million Atari frames within 12 hours. Additionally, we conduct detailed ablation studies of each component, analyzing the performance and impact using numerous measures.

Multi-objective Reinforcement Learning (MORL) seeks to develop policies that simultaneously optimize multiple conflicting objectives, but it requires extensive online interactions. Offline MORL provides a promising solution by training on pre-collected datasets to generalize to any preference upon deployment. However, real-world offline datasets are often conservatively and narrowly distributed, failing to comprehensively cover preferences, leading to the emergence of out-of-distribution (OOD) preference areas. Existing offline MORL algorithms exhibit poor generalization to OOD preferences, resulting in policies that do not align with preferences. Leveraging the excellent expressive and generalization capabilities of diffusion models, we propose MODULI (Multi-objective Diffusion Planner with Sliding Guidance), which employs a preference-conditioned diffusion model as a planner to generate trajectories that align with various preferences and derive action for decision-making. To achieve accurate generation, MODULI introduces two return normalization methods under diverse preferences for refining guidance. To further enhance generalization to OOD preferences, MODULI proposes a novel sliding guidance mechanism, which involves training an additional slider adapter to capture the direction of preference changes. Incorporating the slider, it transitions from in-distribution (ID) preferences to generating OOD preferences, patching, and extending the incomplete Pareto front. Extensive experiments on the D4MORL benchmark demonstrate that our algorithm outperforms state-of-the-art Offline MORL baselines, exhibiting excellent generalization to OOD preferences.

Binary Spiking Neural Networks (BSNNs) offer promising efficiency advantages for resource-constrained computing. However, their training algorithms often require substantial memory overhead due to latent weights storage and temporal processing requirements. To address this issue, we propose Binary Spiking Online (BSO) optimization algorithm, a novel online training algorithm that significantly reduces training memory. BSO directly updates weights through flip signals under the online training framework. These signals are triggered when the product of gradient momentum and weights exceeds a threshold, eliminating the need for latent weights during training. To enhance performance, we propose T-BSO, a temporal-aware variant that leverages the inherent temporal dynamics of BSNNs by capturing gradient information across time steps for adaptive threshold adjustment. Theoretical analysis establishes convergence guarantees for both BSO and T-BSO, with formal regret bounds characterizing their convergence rates. Extensive experiments demonstrate that both BSO and T-BSO achieve superior optimization performance compared to existing training methods for BSNNs. The codes are available at \url{https://github.com/hamingsi/BSO}.

The logistic loss (a.k.a. cross-entropy loss) is one of the most popular loss functions used for multiclass classification. It is also the loss function of choice for next-token prediction in language modeling. It is associated with the Kullback-Leibler (KL) divergence and the softargmax operator. In this work, we propose to construct new convex loss functions based on $f$-divergences. Our loss functions generalize the logistic loss in two directions: i) by replacing the KL divergence with $f$-divergences and ii) by allowing non-uniform reference measures. We instantiate our framework for numerous $f$-divergences, recovering existing losses and creating new ones. By analogy with the logistic loss, the loss function generated by an $f$-divergence is associated with an operator, that we dub $f$-softargmax. We derive a novel parallelizable bisection algorithm for computing the $f$-softargmax associated with any $f$-divergence. On the empirical side, one of the goals of this paper is to determine the effectiveness of loss functions beyond the classical cross-entropy in a language model setting, including on pre-training, post-training (SFT) and distillation. We show that the loss function generated by the $\alpha$-divergence (which is equivalent to Tsallis $\alpha$-negentropy in the case of unit reference measures) with $\alpha=1.5$ performs well across several tasks.

The significant communication overhead and client data heterogeneity have posed an important challenge to current federated learning (FL) paradigm. Existing compression-based and optimization-based FL algorithms typically focus on addressing either the model compression challenge or the data heterogeneity issue individually, rather than tackling both of them. In this paper, we observe that by symbolizing the client model updates to be uploaded (i.e., normalizing the magnitude for each model parameter at local clients), the model heterogeneity, essentially stemmed from data heterogeneity, can be mitigated, and thereby helping improve the overall generalization performance of the globally aggregated model at the server. Inspired with this observation, and further motivated by the success of Lion optimizer in achieving the optimal performance on most tasks in the centralized learning, we propose a new FL algorithm, called FedSMU, which simultaneously reduces the communication overhead and alleviates the data heterogeneity issue. Specifically, FedSMU splits the standard Lion optimizer into the local updates and global execution, where only the symbol of client model updates commutes between the client and server. We theoretically prove the convergence of FedSMU for the general non-convex settings. Through extensive experimental evaluations on several benchmark datasets, we demonstrate that our FedSMU algorithm not only reduces the communication overhead, but also achieves a better generalization performance than the other compression-based and optimization-based baselines.

The rapid proliferation of large language models (LLMs), such as GPT-4 and Gemini, underscores the intense demand for resources during their training processes, posing significant challenges due to substantial computational and environmental costs. In this paper, we introduce a novel checkpoint merging strategy aimed at making efficient use of intermediate checkpoints during LLM pretraining. This method utilizes intermediate checkpoints with shared training trajectories, and is rooted in an extensive search space exploration for the best merging weight via Bayesian optimization. Through various experiments, we demonstrate that: (1) Our proposed methodology exhibits the capacity to augment pretraining, presenting an opportunity akin to obtaining substantial benefits at minimal cost; (2) Our proposed methodology, despite requiring a given held-out dataset, still demonstrates robust generalization capabilities across diverse domains, a pivotal aspect in pretraining.

Post-training quantization (PTQ) is a promising solution for deploying large language models (LLMs) on resource-constrained devices. Early methods developed for small-scale networks, such as ResNet, rely on gradient-based optimization, which becomes impractical for hyper-scale LLMs with billions of parameters. While recently proposed backpropagation-free or transformation-based methods alleviate this issue, they ignore inter-layer interactions or use the naive nearest-rounding-based quantized weight assignment to save the heavy computational cost of weight optimization. In this paper, we introduce a novel backpropagation-free PTQ algorithm that optimizes quantized weights by considering inter-layer dependencies. The key innovation is the development of attention-aware Hessian matrices that capture inter-layer interactions within the attention module. Extensive experiments demonstrate that our approach not only outperforms existing weight quantization methods but also shows good synergy with conventional methods to suppress activation outliers, leading to state-of-the-art weight-activation quantization performance. The code will be available at https://github.com/SamsungLabs/BoA.

This paper presents the first study on adapting the visual in-context learning (V-ICL) paradigm to optical character recognition tasks, specifically focusing on text removal and segmentation. Most existing V-ICL generalists employ a reasoning-as-reconstruction approach: they turn to using a straightforward image-label compositor as the prompt and query input, and then masking the query label to generate the desired output. This direct prompt confines the model to a challenging single-step reasoning process. To address this, we propose a task-chaining compositor in the form of image-removal-segmentation, providing an enhanced prompt that elicits reasoning with enriched intermediates. Additionally, we introduce context-aware aggregation, integrating the chained prompt pattern into the latent query representation, thereby strengthening the model's in-context reasoning. We also consider the issue of visual heterogeneity, which complicates the selection of homogeneous demonstrations in text recognition. Accordingly, this is effectively addressed through a simple self-prompting strategy, preventing the model's in-context learnability from devolving into specialist-like, context-free inference. Collectively, these insights culminate in our ConText model, which achieves new state-of-the-art across both in- and out-of-domain benchmarks. The code is available at https://github.com/Ferenas/ConText.

The development of deep generative models for tabular data is currently a very active research area in machine learning. These models, however, tend to be computationally heavy and require careful tuning of multiple model parameters. In this paper, we propose TabSDS - a lightweight, non-parametric, and model free alternative to tabular deep generative models which leverages rank and data shuffling transformations for generating synthetic data which closely approximates the joint probability distribution of the real data. We evaluate TabSDS against multiple baselines implemented in the Synthcity Python library across several datasets. TabSDS showed very competitive performance against all baselines (including TabDDPM - a strong baseline model for tabular data generation). Importantly, the execution time of TabSDS is orders of magnitude faster than the deep generative baselines, and also considerably faster than other computationally efficient baselines such as adversarial random forests.

This study introduces dataset distillation (DD) tailored for 3D data, particularly point clouds. DD aims to substitute large-scale real datasets with a small set of synthetic samples while preserving model performance. Existing methods mainly focus on structured data such as images. However, adapting DD for unstructured point clouds poses challenges due to their diverse orientations and resolutions in 3D space. To address these challenges, we theoretically demonstrate the importance of matching rotation-invariant features between real and synthetic data for 3D distillation. We further propose a plug-and-play point cloud rotator to align the point cloud to a canonical orientation, facilitating the learning of rotation-invariant features by all point cloud models. Furthermore, instead of optimizing fixed-size synthetic data directly, we devise a point-wise generator to produce point clouds at various resolutions based on the sampled noise amount. Compared to conventional DD methods, the proposed approach, termed DD3D, enables efficient training on low-resolution point clouds while generating high-resolution data for evaluation, thereby significantly reducing memory requirements and enhancing model scalability. Extensive experiments validate the effectiveness of DD3D in shape classification and part segmentation tasks across diverse scenarios, such as cross-architecture and cross-resolution settings.

While self-attention has been instrumental in the success of Transformers, it can lead to over-concentration on a few tokens during training, resulting in suboptimal information flow. Enforcing doubly-stochastic constraints in attention matrices has been shown to improve structure and balance in attention distributions. However, existing methods rely on iterative Sinkhorn normalization, which is computationally costly. In this paper, we introduce a novel, fully parallelizable doubly-stochastic attention mechanism based on sliced optimal transport, leveraging Expected Sliced Transport Plans (ESP). Unlike prior approaches, our method enforces doubly stochasticity without iterative Sinkhorn normalization, significantly enhancing efficiency. To ensure differentiability, we incorporate a temperature-based soft sorting technique, enabling seamless integration into deep learning models. Experiments across multiple benchmark datasets, including image classification, point cloud classification, sentiment analysis, and neural machine translation, demonstrate that our enhanced attention regularization consistently improves performance across diverse applications. Our implementation code can be found at \url{https://github.com/dariansal/ESPFormer}.

We present Universal Sparse Autoencoders (USAEs), a framework for uncovering and aligning interpretable concepts spanning multiple pretrained deep neural networks. Unlike existing concept-based interpretability methods, which focus on a single model, USAEs jointly learn a universal concept space that can reconstruct and interpret the internal activations of multiple models at once. Our core insight is to train a single, overcomplete sparse autoencoder (SAE) that ingests activations from any model and decodes them to approximate the activations of any other model under consideration. By optimizing a shared objective, the learned dictionary captures common factors of variation—concepts—across different tasks, architectures, and datasets. We show that USAEs discover semantically coherent and important universal concepts across vision models; ranging from low-level features (e.g., colors and textures) to higher-level structures (e.g., parts and objects). Overall, USAEs provide a powerful new method for interpretable cross-model analysis and offers novel applications—such as coordinated activation maximization—that open avenues for deeper insights in multi-model AI systems.

The Influence Function (IF) is a widely used technique for assessing the impact of individual training samples on model predictions. However, existing IF methods often fail to provide reliable influence estimates in deep neural networks, particularly when applied to noisy training data. This issue does not stem from inaccuracies in parameter change estimation, which has been the primary focus of prior research, but rather from deficiencies in loss change estimation, specifically due to the sharpness of validation risk. In this work, we establish a theoretical connection between influence estimation error, validation set risk, and its sharpness, underscoring the importance of flat validation minima for accurate influence estimation. Furthermore, we introduce a novel estimation form of Influence Function specifically designed for flat validation minima. Experimental results across various tasks validate the superiority of our approach.

Foundation models have revolutionized language modeling, while whether this success is replicated in scientific computing remains unexplored. We present OmniArch, the first prototype aiming at solving multi-scale and multi-physics scientific computing problems with physical alignment. We addressed all three challenges with one unified architecture. Its pre-training stage contains a Fourier Encoder-decoder fading out the disharmony across separated dimensions and a Transformer backbone integrating quantities through temporal dynamics, and the novel PDE-Aligner performs physics-informed fine-tuning under flexible conditions. As far as we know, we first conduct 1D-2D-3D united pre-training on the PDEBench, and it sets not only new performance benchmarks for 1D, 2D, and 3D PDEs but also demonstrates exceptional adaptability to new physics via in-context and zero-shot learning approaches, which supports realistic engineering applications and foresight physics discovery.

Given the rising popularity of AI-generated art and the associated copyright concerns, identifying whether an artwork was used to train a diffusion model is an important research topic. The work approaches this problem from the membership inference attack (MIA) perspective. We first identify the limitation of applying existing MIA methods for proprietary diffusion models: the required access of internal U-nets. To address the above problem, we introduce a novel membership inference attack method that uses only the image-to-image variation API and operates without access to the model's internal U-net. Our method is based on the intuition that the model can more easily obtain an unbiased noise prediction estimate for images from the training set. By applying the API multiple times to the target image, averaging the outputs, and comparing the result to the original image, our approach can classify whether a sample was part of the training set. We validate our method using DDIM and Stable Diffusion setups and further extend both our approach and existing algorithms to the Diffusion Transformer architecture. Our experimental results consistently outperform previous methods.

Out-of-Distribution (OOD) detection is essential for the trustworthiness of AI systems. Methods using prior information (i.e., subspace-based methods) have shown effective performance by extracting information geometry to detect OOD data with a more appropriate distance metric. However, these methods fail to address the geometry distorted by ill-distributed samples, due to the limitation of statically extracting information geometry from the training distribution. In this paper, we argue that the influence of ill-distributed samples can be corrected by dynamically adjusting the prior geometry in response to new data. Based on this insight, we propose a novel approach that dynamically updates the prior covariance matrix using real-time input features, refining its information. Specifically, we reduce the covariance along the direction of real-time input features and constrain adjustments to the residual space, thus preserving essential data characteristics and avoiding effects on unintended directions in the principal space. We evaluate our method on two pre-trained models for the CIFAR dataset and five pre-trained models for ImageNet-1k, including the self-supervised DINO model. Extensive experiments demonstrate that our approach significantly enhances OOD detection across various models. The code is released at https://github.com/workerbcd/ooddcc.

Modeling human preferences is crucial for aligning foundation models with human values. Traditional reward modeling methods, such as the Bradley-Terry (BT) reward model, fall short in expressiveness, particularly in addressing intransitive preferences. In this paper, we introduce \emph{preference embedding}, an approach that embeds responses into a latent space to capture intricate preference structures efficiently, achieving linear query complexity. Additionally, we propose preference score-based General Preference Optimization (GPO), which generalizes reward-based reinforcement learning from human feedback (RLHF). Experimental results show that our General Preference embedding Model (GPM) consistently outperforms the BT reward model on the RewardBench benchmark and effectively models cyclic preferences where any BT reward model behaves like a random guess. Furthermore, evaluations on downstream tasks such as AlpacaEval2.0, following the language model post-training with GPO and our general preference model, reveal performance improvements over BT models. These findings indicate that our method may enhance the alignment of foundation models with nuanced human values. The code is available at https://github.com/general-preference/general-preference-model.

Chain-of-Thought (CoT) technique has proven effective in improving the performance of large language models (LLMs) on complex reasoning tasks. However, the performance gains are inconsistent across different tasks, and the underlying mechanism remains a long-standing research question. In this work, we make a preliminary observation that the monotonicity of token probability distributions may be correlated with the gains achieved through CoT reasoning. Leveraging this insight, we propose two indicators based on the token probability distribution to assess CoT effectiveness across different tasks. By combining instance-level indicators with logistic regression model, we introduce Dynamic CoT, a method that dynamically select between CoT and direct answer. Furthermore, we extend Dynamic CoT to closed-source models by transferring decision strategies learned from open-source models. Our indicators for assessing CoT effectiveness achieve an accuracy of 89.2\%, and Dynamic CoT reduces token consumption by more than 35\% while maintaining high accuracy. Overall, our work offers a novel perspective on the underlying mechanisms of CoT reasoning and provides a framework for its more efficient deployment.