ICML 2025 论文列表

Federated learning (FL) enables decentralized clients to train a model collaboratively without sharing local data. A key distinction between FL and centralized learning is that clients' data are non-independent and identically distributed, which poses significant challenges in training a global model that generalizes well across heterogeneous local data distributions. In this paper, we analyze the convergence of overparameterized FedAvg with gradient descent (GD). We prove that the impact of data heterogeneity diminishes as the width of neural networks increases, ultimately vanishing when the width approaches infinity. In the infinite-width regime, we further prove that both the global and local models in FedAvg behave as linear models, and that FedAvg achieves the same generalization performance as centralized learning with the same number of GD iterations. Extensive experiments validate our theoretical findings across various network architectures, loss functions, and optimization methods.

We present the first gap-dependent analysis of regret and communication cost for on-policy federated $Q$-Learning in tabular episodic finite-horizon Markov decision processes (MDPs). Existing FRL methods focus on worst-case scenarios, leading to $\sqrt{T}$-type regret bounds and communication cost bounds with a $\log T$ term scaling with the number of agents $M$, states $S$, and actions $A$, where $T$ is the average total number of steps per agent. In contrast, our novel framework leverages the benign structures of MDPs, such as a strictly positive suboptimality gap, to achieve a $\log T$-type regret bound and a refined communication cost bound that disentangles exploration and exploitation. Our gap-dependent regret bound reveals a distinct multi-agent speedup pattern, and our gap-dependent communication cost bound removes the dependence on $MSA$ from the $\log T$ term. Notably, our gap-dependent communication cost bound also yields a better global switching cost when $M=1$, removing $SA$ from the $\log T$ term.

Single-cell RNA sequencing (scRNA-seq) enables high-resolution exploration of cellular diversity and gene regulation, yet analyzing such data remains challenging due to technical and methodological limitations. Existing task-specific deep generative models like Variational Auto-Encoder (VAE) and its variants struggle to incorporate external biological knowledge, while transformer-based foundational large Language Models (LLMs or large LaMs) face limitations in computational cost and applicability to tabular gene expression data. Here, we introduce sciLaMA (single-cell interpretable Language Model Adapter), a novel representation learning framework that bridges these gaps by integrating static gene embeddings from multimodal LaMs with scRNA-seq tabular data through a paired-VAE architecture. Our approach generates context-aware representations for both cells and genes and outperforms state-of-the-art methods in key single-cell downstream tasks, including batch effect correction, cell clustering, and cell-state-specific gene marker and module identification, while maintaining computational efficiency. sciLaMA offers a computationally efficient, unified framework for comprehensive single-cell data analysis and biologically interpretable gene module discovery.

We develop Latent Exploration Score (LES) to mitigate over-exploration in Latent Space Optimization (LSO), a popular method for solving black-box discrete optimization problems. LSO utilizes continuous optimization within the latent space of a Variational Autoencoder (VAE) and is known to be susceptible to over-exploration, which manifests in unrealistic solutions that reduce its practicality. LES leverages the trained decoder’s approximation of the data distribution, and can be employed with any VAE decoder–including pretrained ones–without additional training, architectural changes or access to the training data. Our evaluation across five LSO benchmark tasks and twenty-two VAE models demonstrates that LES always enhances the quality of the solutions while maintaining high objective values, leading to improvements over existing solutions in most cases. We believe that new avenues to LSO will be opened by LES’ ability to identify out of distribution areas, differentiability, and computational tractability.

The classical static Schrödinger Bridge (SSB) problem, which seeks the most likely stochastic evolution between two marginal probability measures, has been studied extensively in the optimal transport and statistical physics communities, and more recently in machine learning communities in the surge of generative models. The standard approach to solve SSB is to first identify its Kantorovich dual and use Sinkhorn's algorithm to find the optimal potential functions. While the original SSB is only a strictly convex minimization problem, this approach is known to warrant linear convergence under mild assumptions. In this work, we consider a generalized SSB allowing any strictly increasing divergence functional, far generalizing the entropy functional $x\log x$ in the standard SSB. This problem naturally arises in a wide range of seemingly unrelated problems in entropic optimal transport, random graphs/matrices, and combinatorics. We establish Kantorovich duality and linear convergence of Sinkhorn's algorithm for the generalized SSB problem under mild conditions. Our results provide a new rigorous foundation for understanding Sinkhorn-type iterative methods in the context of large-scale generalized Schrödinger bridges.

A series of pre-trained models have demonstrated promising results in point cloud understanding tasks and are widely applied to downstream tasks through fine-tuning. However, full fine-tuning leads to the forgetting of pretrained knowledge and substantial storage costs on edge devices. To address these issues, Parameter-Efficient Transfer Learning (PETL) methods have been proposed. According to our analysis, we find that existing 3D PETL methods cannot adequately align with semantic relationships of features required by downstream tasks, resulting in suboptimal performance. To ensure parameter efficiency while introducing rich semantic cues, we propose a novel fine-tuning paradigm for 3D pre-trained models. We utilize frozen 2D pre-trained models to provide vision semantic prompts and design a new Hybrid Attention Adapter to efficiently fuse 2D semantic cues into 3D representations with minimal trainable parameters(1.8M). Extensive experiments conducted on datasets including ScanObjectNN, ModelNet40, and ShapeNetPart demonstrate the effectiveness of our proposed paradigm. In particular, our method achieves 95.6% accuracy on ModelNet40 and attains 90.09% performance on the most challenging classification split ScanObjectNN(PB-T50-RS).

Vision-language models, such as CLIP, have achieved significant success in aligning visual and textual representations, becoming essential components of many multi-modal large language models (MLLMs) like LLaVA and OpenFlamingo. However, numerous studies have identified CLIP's limited fine-grained perception as a critical drawback, leading to substantial failures in downstream MLLMs. In contrast, vision-centric foundation models like DINOv2 demonstrate remarkable capabilities in capturing fine details from images. In this work, we propose a novel kernel-based method to align CLIP's visual representation with that of DINOv2, ensuring that the resulting embeddings maintain compatibility with text embeddings while enhancing perceptual capabilities. Our alignment objective is designed for efficient stochastic optimization. Following this image-only alignment fine-tuning, the visual encoder retains compatibility with the frozen text encoder and exhibits significant improvements in zero-shot object recognition, fine-grained spatial reasoning, and localization. By integrating the aligned visual encoder, downstream MLLMs also demonstrate enhanced performance. The code and models are available at https://github.com/peterant330/KUEA.

Mixture-of-Experts (MoE) large language models (LLMs), which leverage dynamic routing and sparse activation to enhance efficiency and scalability, have achieved higher performance while reducing computational costs. However, these models face significant memory overheads, limiting their practical deployment and broader adoption. Post-training quantization (PTQ), a widely used method for compressing LLMs, encounters severe accuracy degradation and diminished generalization performance when applied to MoE models. This paper investigates the impact of MoE’s sparse and dynamic characteristics on quantization and identifies two primary challenges: (1) Inter-expert imbalance, referring to the uneven distribution of samples across experts, which leads to insufficient and biased calibration for less frequently utilized experts; (2) Intra-expert imbalance, arising from MoE's unique aggregation mechanism, which leads to varying degrees of correlation between different samples and their assigned experts. To address these challenges, we propose MoEQuant, a novel quantization framework tailored for MoE LLMs. MoEQuant includes two novel techniques: 1) Expert-Balanced Self-Sampling (EBSS) is an efficient sampling method that efficiently constructs a calibration set with balanced expert distributions by leveraging the cumulative probabilities of tokens and expert balance metrics as guiding factors. 2) Affinity-Guided Quantization (AGQ), which incorporates affinities between experts and samples into the quantization process, thereby accurately assessing the impact of individual samples on different experts within the MoE layer. Experiments demonstrate that MoEQuant achieves substantial performance gains (more than 10 points accuracy gain in the HumanEval for DeepSeekMoE-16B under 4-bit quantization) and boosts efficiency.

Deep neural networks often degrade under distribution shifts. Although domain adaptation offers a solution, privacy constraints often prevent access to source data, making Test-Time Adaptation (TTA)—which adapts using only unlabeled test data—increasingly attractive. However, current TTA methods still face practical challenges: (1) a primary focus on instance-wise alignment, overlooking CORrelation ALignment (CORAL) due to missing source correlations; (2) complex backpropagation operations for model updating, resulting in overhead computation and (3) domain forgetting. To address these challenges, we provide a theoretical analysis to investigate the feasibility of **T**est-time **C**orrelation **A**lignment (**TCA**), demonstrating that correlation alignment between high-certainty instances and test instances can enhance test performances with a theoretical guarantee. Based on this, we propose two simple yet effective algorithms: LinearTCA and LinearTCA+. LinearTCA applies a simple linear transformation to achieve both instance and correlation alignment without additional model updates, while LinearTCA+ serves as a plug-and-play module that can easily boost existing TTA methods. Extensive experiments validate our theoretical insights and show that TCA methods significantly outperforms baselines across various tasks, benchmarks and backbones. Notably, LinearTCA achieves higher accuracy with only 4\% GPU memory and 0.6\% computation time compared to the best TTA baseline. It also outperforms existing methods on CLIP over 1.86\%. Code: https://github.com/youlj109/TCA

Static systems exhibit diverse structural properties, such as hierarchical, scale-free, and isotropic patterns, where different geometric spaces offer unique advantages. Methods combining multiple geometries have proven effective in capturing these characteristics. However, real-world systems often evolve dynamically, introducing significant challenges in modeling their temporal changes. To overcome this limitation, we propose a unified cross-geometric learning framework for dynamic systems, which synergistically integrates Euclidean and hyperbolic spaces, aligning embedding spaces with structural properties through fine-grained substructure modeling. Our framework further incorporates a temporal state aggregation mechanism and an evolution-driven optimization objective, enabling comprehensive and adaptive modeling of both nodal and relational dynamics over time. Extensive experiments on diverse real-world dynamic graph datasets highlight the superiority of our approach in capturing complex structural evolution, surpassing existing methods across multiple metrics.

We propose a new approach for unsupervised alignment of heterogeneous datasets, which maps data from two different domains without any known correspondences to a common metric space. Our method is based on an unbalanced optimal transport problem with Gromov-Wasserstein marginal penalization. It can be seen as a counterpart to the recently introduced joint multidimensional scaling method. We prove that there exists a minimizer of our functional and that for penalization parameters going to infinity, the corresponding sequence of minimizers converges to a minimizer of the so-called embedded Wasserstein distance. Our model can be reformulated as a quadratic, multi-marginal, unbalanced optimal transport problem, for which a bi-convex relaxation admits a numerical solver via block-coordinate descent. We provide numerical examples for joint embeddings in Euclidean as well as non-Euclidean spaces.

In recent years, while generative AI has advanced significantly in image generation, video generation continues to face challenges in controllability, length, and detail quality, which hinder its application. We present MimicMotion, a framework for generating high-quality human videos of arbitrary length using motion guidance. Our approach has several highlights. Firstly, we introduce confidence-aware pose guidance that ensures high frame quality and temporal smoothness. Secondly, we introduce regional loss amplification based on pose confidence, which reduces image distortion in key regions. Lastly, we propose a progressive latent fusion strategy to generate long and smooth videos. Experiments demonstrate the effectiveness of our approach in producing high-quality human motion videos. Videos and comparisons are available at [https://tencent.github.io/MimicMotion](https://tencent.github.io/MimicMotion).

Traditional machine societies rely on data-driven learning, overlooking interactions and limiting knowledge acquisition from model interplay. To address these issues, we revisit the development of machine societies by drawing inspiration from the evolutionary processes of human societies. Motivated by Social Learning (SL), this paper introduces a practical paradigm of Socialized Coevolution (SC). Compared to most existing methods focused on knowledge distillation and multi-task learning, our work addresses a more challenging problem: not only enhancing the capacity to solve new downstream tasks but also improving the performance of existing tasks through inter-model interactions. Inspired by cognitive science, we propose Dynamic Information Socialized Collaboration (DISC), which achieves SC through interactions between models specialized in different downstream tasks. Specifically, we introduce the dynamic hierarchical collaboration and dynamic selective collaboration modules to enable dynamic and effective interactions among models, allowing them to acquire knowledge from these interactions. Finally, we explore potential future applications of combining SL and SC, discuss open questions, and propose directions for future research, aiming to spark interest in this emerging and exciting interdisciplinary field. Our code will be publicly available at https://github.com/yxjdarren/SC.

The long-standing dominance of gradient-boosted decision trees on tabular data is currently challenged by tabular foundation models using In-Context Learning (ICL): setting the training data as context for the test data and predicting in a single forward pass without parameter updates. While TabPFNv2 foundation model excels on tables with up to 10K samples, its alternating column- and row-wise attentions make handling large training sets computationally prohibitive. So, can ICL be effectively scaled and deliver a benefit for larger tables? We introduce TabICL, a tabular foundation model for classification, pretrained on synthetic datasets with up to 60K samples and capable of handling 500K samples on affordable resources. This is enabled by a novel two-stage architecture: a column-then-row attention mechanism to build fixed-dimensional embeddings of rows, followed by a transformer for efficient ICL. Across 200 classification datasets from the TALENT benchmark, TabICL is on par with TabPFNv2 while being systematically faster (up to 10 times), and significantly outperforms all other approaches. On 53 datasets with over 10K samples, TabICL surpasses both TabPFNv2 and CatBoost, demonstrating the potential of ICL for large data. Pretraining code, inference code, and pre-trained models are available at https://github.com/soda-inria/tabicl.

Neurosymbolic learning enables the integration of symbolic reasoning with deep learning but faces significant challenges in scaling to complex symbolic programs, large datasets, or both. We introduce DOLPHIN, a framework that tackles these challenges by supporting neurosymbolic programs in Python, executing complex symbolic reasoning on the CPU while vectorizing probabilistic computations and gradient propagation on the GPU. Across 13 benchmarks spanning tasks over text, image, and video data, with symbolic reasoning features like recursion and blackbox functions, DOLPHIN converges to state-of-the-art accuracies on the more complex benchmarks while existing frameworks such as Scallop, ISED, and IndeCateR+ fail to converge within the time limit. On simpler benchmarks, DOLPHIN matches their performance, while achieving these results 1.71x to 62x faster than the baselines. Overall, DOLPHIN advances the scalability of neurosymbolic frameworks, achieving state-of-the-art efficiency and convergence on difficult benchmarks where existing frameworks struggle. The code is published at https://github.com/Dolphin-NeSy/Dolphin.

Designing biological sequences with desired properties is challenging due to vast search spaces and limited evaluation budgets. Although reinforcement learning methods use proxy models for rapid reward evaluation, insufficient training data can cause proxy misspecification on out-of-distribution inputs. To address this, we propose a novel off-policy search, $\delta$-Conservative Search, that enhances robustness by restricting policy exploration to reliable regions. Starting from high-score offline sequences, we inject noise by randomly masking tokens with probability $\delta$, then denoise them using our policy. We further adapt $\delta$ based on proxy uncertainty on each data point, aligning the level of conservativeness with model confidence. Experimental results show that our conservative search consistently enhances the off-policy training, outperforming existing machine learning methods in discovering high-score sequences across diverse tasks, including DNA, RNA, protein, and peptide design.

*Warning: Contains harmful model outputs.* Despite significant advancements, the propensity of Large Language Models (LLMs) to generate harmful and unethical content poses critical challenges. Measuring value alignment of LLMs becomes crucial for their regulation and responsible deployment. Although numerous benchmarks have been constructed to assess social bias, toxicity, and ethical issues in LLMs, those static benchmarks suffer from *evaluation chronoeffect*, in which, as models rapidly evolve, existing benchmarks may leak into training data or become saturated, *overestimating* ever-developing LLMs. To tackle this problem, we propose GETA, a novel *generative evolving testing* approach based on adaptive testing methods in measurement theory. Unlike traditional adaptive testing methods that rely on a static test item pool, GETA probes the underlying moral boundaries of LLMs by dynamically generating test items tailored to model capability. GETA co-evolves with LLMs by learning a joint distribution of item difficulty and model value conformity, thus effectively addressing evaluation chronoeffect. We evaluated various popular LLMs with GETA and demonstrated that 1) GETA can dynamically create difficulty-tailored test items and 2) GETA's evaluation results are more consistent with models' performance on unseen OOD and i.i.d. items, laying the groundwork for future evaluation paradigms.

Recent large language models (LLMs) support long contexts ranging from 128K to 1M tokens. A popular method for evaluating these capabilities is the needle-in-a-haystack (NIAH) test, which involves retrieving a "needle" (relevant information) from a "haystack" (long irrelevant context). Extensions of this approach include increasing distractors, fact chaining, and in-context reasoning. However, in these benchmarks, models can exploit existing literal matches between the needle and haystack to simplify the task. To address this, we introduce NoLiMa, a benchmark extending NIAH with a carefully designed needle set, where questions and needles have minimal lexical overlap, requiring models to infer latent associations to locate the needle within the haystack. We evaluate 13 popular LLMs that claim to support contexts of at least 128K tokens. While they perform well in short contexts (<1K), performance degrades significantly as context length increases. At 32K, for instance, 11 models drop below 50% of their strong short-length baselines. Even GPT-4o, one of the top-performing exceptions, experiences a reduction from an almost-perfect baseline of 99.3% to 69.7%. Our analysis suggests these declines stem from the increased difficulty the attention mechanism faces in longer contexts when literal matches are absent, making it harder to retrieve relevant information. Even models enhanced with reasoning capabilities or CoT prompting struggle to maintain performance in long contexts. We publicly release the dataset and evaluation code at https://github.com/adobe-research/NoLiMa.

Speculative decoding (SPD) aims to accelerate the auto-regressive token generation process of a target Large Language Model (LLM). Some approaches employ a draft model with multiple heads to predict a sequence of future tokens, where each head handles a token in the sequence. The target LLM verifies the predicted sequence and accepts aligned tokens, enabling efficient multi-token generation. However, existing methods assume that all tokens within a sequence are equally important, employing identical head structures and relying on a single-generation paradigm, either serial or parallel. To this end, we theoretically demonstrate that initial tokens in the draft sequence are more important than later ones. Building on this insight, we propose Gumiho, a hybrid model combining serial and parallel heads. Specifically, given the critical importance of early tokens, we employ a sophisticated Transformer architecture for the early draft heads in a serial configuration to improve accuracy. For later tokens, we utilize multiple lightweight MLP heads operating in parallel to enhance efficiency. By allocating more advanced model structures and longer running times to the early heads, Gumiho achieves improved overall performance. The experimental results demonstrate that our method outperforms existing approaches, fully validating its effectiveness. Our code is available at https://github.com/AMD-AIG-AIMA/Gumiho.