ICML 2025 Papers

Open-Set Domain Adaptation (OSDA) aims to transfer knowledge from the labeled source domain to the unlabeled target domain that contains unknown categories, thus facing the challenges of domain shift and unknown category recognition. While recent works have demonstrated the potential of causality for domain alignment, little exploration has been conducted on causal-inspired theoretical frameworks for OSDA. To fill this gap, we introduce the concept of *Susceptibility* and propose a novel **C**ounterfactual-based susceptibility risk framework for **OSDA**, termed **COSDA**. Specifically, COSDA consists of three novel components: (i) a *Susceptibility Risk Estimator (SRE)* for capturing causal information, along with comprehensive derivations of the computable theoretical upper bound, forming a risk minimization framework under the OSDA paradigm; (ii) a *Contrastive Feature Alignment (CFA)* module, which is theoretically proven based on mutual information to satisfy the *Exogeneity* assumption and facilitate cross-domain feature alignment; (iii) a *Virtual Multi-unknown-categories Prototype (VMP)* pseudo-labeling strategy, providing label information by measuring how similar samples are to known and multiple virtual unknown category prototypes, thereby assisting in open-set recognition and intra-class discriminative feature learning. Extensive experiments demonstrate that our approach achieves state-of-the-art performance.

This paper proposes Constrained Exploitability Descent (CED), a model-free offline reinforcement learning (RL) algorithm for solving adversarial Markov games (MGs). CED combines the game-theoretical approach of Exploitability Descent (ED) with policy constraint methods from offline RL. While policy constraints can perturb the optimal pure-strategy solutions in single-agent scenarios, we find the side effect less detrimental in adversarial games, where the optimal policy can be a mixed-strategy Nash equilibrium. We theoretically prove that, under the uniform coverage assumption on the dataset, CED converges to a stationary point in deterministic two-player zero-sum Markov games. We further prove that the min-player policy at the stationary point follows the property of mixed-strategy Nash equilibrium in MGs. Compared to the model-based ED method that optimizes the max-player policy, our CED method no longer relies on a generalized gradient. Experiments in matrix games, a tree-form game, and an infinite-horizon soccer game verify that CED can find an equilibrium policy for the min-player as long as the offline dataset guarantees uniform coverage. Besides, CED achieves a significantly lower NashConv compared to an existing pessimism-based method and can gradually improve the behavior policy even under non-uniform data coverages. When combined with neural networks, CED also outperforms behavior cloning and offline self-play in a large-scale two-team robotic combat game.

Generating samples from a high dimensional probability distribution is a fundamental task with wide-ranging applications in the area of scientific computing, statistics and machine learning. This article revisits the popular Langevin Monte Carlo (LMC) sampling algorithms and provides a non-asymptotic error analysis in $\mathcal{W}_2$-distance in a non-convex setting. In particular, we prove an error bound $O(\sqrt{d} h)$, which guarantees a mixing time $ \tilde{O} (\sqrt{d} \epsilon^{-1})$ to achieve the accuracy tolerance $\epsilon$, under certain log-smooth conditions and the assumption that the target distribution satisfies a log-Sobolev inequality, as opposed to the strongly log-concave condition used in (Li et al., 2019; 2022). This bound matches the best one in the strongly log-concave case and improves upon the best-known convergence rates in non-convex settings. To prove it, we establish a new framework of uniform-in-time convergence for discretizations of SDEs. Distinct from (Li et al., 2019; 2022), we start from the finite-time mean-square fundamental convergence theorem, which combined with uniform-in-time moment bounds of LMC and the exponential ergodicity of SDEs in the non-convex setting gives the desired uniform-in-time convergence. Our framework also applies to the case when the gradient of the potential $U$ is non-globally Lipschitz with superlinear growth, for which modified LMC samplers are proposed and analyzed, with a non-asymptotic error bound in $\mathcal{W}_2$-distance obtained. Numerical experiments corroborate the theoretical analysis.

The proliferation of disinformation demands reliable and scalable fact-checking solutions. We present **D**ynamic **E**vidence-based **FA**ct-checking with **M**ultimodal **E**xperts (DEFAME), a modular, zero-shot MLLM pipeline for open-domain, text-image claim verification. DEFAME operates in a six-stage process, dynamically selecting the tools and search depth to extract and evaluate textual and visual evidence. Unlike prior approaches that are text-only, lack explainability, or rely solely on parametric knowledge, DEFAME performs end-to-end verification, accounting for images in claims *and* evidence while generating structured, multimodal reports. Evaluation on the popular benchmarks VERITE, AVeriTeC, and MOCHEG shows that DEFAME surpasses all previous methods, establishing itself as the new general state-of-the-art fact-checking system for uni- and multimodal fact-checking. Moreover, we introduce a new multimodal benchmark, ClaimReview2024+, featuring claims after the knowledge cutoff of GPT-4o, avoiding data leakage. Here, DEFAME drastically outperforms the GPT-4o baselines, showing temporal generalizability and the potential for real-time fact-checking.

The emergence of multi-dimensional data presents significant challenges for traditional regression models based on matrices or vectors, particularly in capturing multi-directional correlations. In response, tensor regression has been proposed as a powerful framework for modeling linear relationships among multi-dimensional variables. In this paper, we introduce a high-dimensional tensor-response tensor regression model under low-dimensional structural assumptions, such as sparsity and low-rankness. Assuming the underlying tensor lies within an unknown low-dimensional subspace, we consider a least squares estimation framework with non-convex penalties. Theoretically, we derive general risk bounds for the resulting estimators and demonstrate that they achieve the oracle statistical rates under mild technical conditions. To compute the proposed estimators efficiently, we introduce an accelerated proximal gradient algorithm demonstrating rapid convergence in practice. Extensive experiments on synthetic and real-world datasets validate the effectiveness of the proposed regression model and showcase the practical utility of the theoretical findings.

Aligning language models with human preferences relies on pairwise preference datasets. While some studies suggest that on-policy data consistently outperforms off-policy data for preference learning, others indicate that the advantages of on-policy data are task-dependent, highlighting the need for a systematic exploration of their interplay. In this work, we show that on-policy and off-policy data offer complementary strengths: on-policy data is particularly effective for reasoning tasks like math and coding, while off-policy data performs better on subjective tasks such as creative writing and making personal recommendations. Guided by these findings, we introduce SimpleMix, an approach to combine the complementary strengths of on-policy and off-policy preference learning by simply mixing these two data sources. Our empirical results across diverse tasks and benchmarks demonstrate that SimpleMix substantially improves language model alignment. Specifically, SimpleMix improves upon on-policy DPO and off-policy DPO by an average of 6.03 on Alpaca Eval 2.0. Moreover, it surpasses prior approaches that are much more complex in combining on- and off-policy data, such as HyPO and DPO-Mix-P, by an average of 3.05. These findings validate the effectiveness and efficiency of SimpleMix for enhancing preference-based alignment.

Image deraining aims to remove rain streaks from rainy images and restore clear backgrounds. Currently, some research that employs the Fourier transform has proved to be effective for image deraining, due to it acting as an effective frequency prior for capturing rain streaks. However, despite there exists dependency of low frequency and high frequency in images, these Fourier-based methods rarely exploit the correlation of different frequencies for conjuncting their learning procedures, limiting the full utilization of frequency information for image deraining. Alternatively, the recently emerged Mamba technique depicts its effectiveness and efficiency for modeling correlation in various domains (e.g., spatial, temporal), and we argue that introducing Mamba into its unexplored Fourier spaces to correlate different frequencies would help improve image deraining. This motivates us to propose a new framework termed FourierMamba, which performs image deraining with Mamba in the Fourier space. Owing to the unique arrangement of frequency orders in Fourier space, the core of FourierMamba lies in the scanning encoding of different frequencies, where the low-high frequency order formats exhibit differently in the spatial dimension (unarranged in axis) and channel dimension (arranged in axis). Therefore, we design FourierMamba that correlates Fourier space information in the spatial and channel dimensions with distinct designs. Specifically, in the spatial dimension Fourier space, we introduce the zigzag coding to scan the frequencies to rearrange the orders from low to high frequencies, thereby orderly correlating the connections between frequencies; in the channel dimension Fourier space with arranged orders of frequencies in axis, we can directly use Mamba to perform frequency correlation and improve the channel information representation. Extensive experiments reveal that our method outperforms state-of-the-art methods both qualitatively and quantitatively.

Quantifying the elemental composition of a material is a general scientific challenge with broad relevance to environmental sustainability. Existing techniques for the measurement of atomic abundances generally require laboratory conditions and expensive equipment. As a result, they cannot be deployed *in situ* without significant capital investment, limiting their proliferation. Measurement techniques based on nuclear magnetic resonance (NMR) hold promise in this setting due to their applicability across the periodic table, their non-destructive manipulation of samples, and their amenability to *in silico* optimization. In this work, we learn policies to modulate NMR pulses for rapid atomic abundance quantification. Our approach involves three inter-operating agents which (1) rapidly align nuclear spins for measurement, (2) quickly force relaxation to equilibrium, and (3) toggle control between agents (1) and (2) to minimize overall measurement time. To demonstrate this technique, we consider a specific use case of low-magnetic-field carbon-13 quantification for low-cost, portable analysis of foodstuffs and soils. We find significant performance improvements relative to traditional NMR pulse sequencing, and discuss limitations on the applicability of this approach.

This paper focuses on the design of spatial experiments to optimize the amount of information derived from the experimental data and enhance the accuracy of the resulting causal effect estimator. We propose a surrogate function for the mean squared error (MSE) of the estimator, which facilitates the use of classical graph cut algorithms to learn the optimal design. Our proposal offers three key advances: (1) it accommodates moderate to large spatial interference effects; (2) it adapts to different spatial covariance functions; (3) it is computationally efficient. Theoretical results and numerical experiments based on synthetic environments and a dispatch simulator that models a city-scale ridesharing market, further validate the effectiveness of our design. A python implementation of our method is available at https://github.com/Mamba413/CausalGraphCut.

Recently, quantization has been widely used for the compression and acceleration of large language models (LLMs). Due to the outliers in LLMs, it is crucial to flatten weights and activations to minimize quantization error with equally spaced quantization points. Prior research explores various pre-quantization transformations to suppress outliers, such as per-channel scaling and Hadamard transformation. However, we observe that these transformed weights and activations can still exhibit steep and dispersed distributions. In this paper, we propose FlatQuant (Fast and Learnable Affine Transformation), a new post-training quantization approach that enhances the flatness of weights and activations. Our approach identifies optimal affine transformations for each linear layer, calibrated in hours via a lightweight objective. To reduce runtime overhead of affine transformation, we apply Kronecker product with two lightweight matrices, and fuse all operations in FlatQuant into a single kernel. Extensive experiments demonstrate that FlatQuant establishes a new state-of-the-art benchmark for quantization. For example, it achieves less than 1\% accuracy drop for W4A4 quantization on the LLaMA-3-70B model, surpassing SpinQuant by 7.5\%. Additionally, it provides up to 2.3x prefill speedup and 1.7x decoding speedup compared to the FP16 model. Code is available at: https://github.com/ruikangliu/FlatQuant.

Large language models (LLMs) are making inroads into classical AI problems such as automated planning, yet key shortcomings continue to hamper their integration. Chain-of-Thought (CoT) struggles in complex multi-step reasoning, and Tree-of-Thoughts requires multiple queries that increase computational overhead. Recently, Algorithm-of-Thoughts (AoT) have shown promise using in-context examples, at the cost of significantly longer solutions compared to CoT. Aimed at bridging the solution length gap between CoT and AoT, this paper introduces AoT-O3, which combines supervised finetuning on AoT-style plans with a reinforcement learning (RL) framework designed to reduce solution length. The RL component uses a reward model that favors concise, valid solutions while maintaining planning accuracy. Empirical evaluations indicate that AoT-O3 shortens solution length by up to 80\% compared to baseline AoT while maintaining or surpassing prior performance. These findings suggest a promising pathway for more efficient, scalable LLM-based planning.

Time-series Generation (TSG) is a prominent research area with broad applications in simulations, data augmentation, and counterfactual analysis. While existing methods have shown promise in unconditional single-domain TSG, real-world applications demand for cross-domain approaches capable of controlled generation tailored to domain-specific constraints and instance-level requirements. In this paper, we argue that text can provide semantic insights, domain information and instance-specific temporal patterns, to guide and improve TSG. We introduce ``Text-Controlled TSG'', a task focused on generating realistic time series by incorporating textual descriptions. To address data scarcity in this setting, we propose a novel LLM-based Multi-Agent framework that synthesizes diverse, realistic text-to-TS datasets. Furthermore, we introduce Bridge, a hybrid text-controlled TSG framework that integrates semantic prototypes with text description for supporting domain-level guidance. This approach achieves state-of-the-art generation fidelity on 11 of 12 datasets, and improves controllability by up to 12% on MSE and 6% MAE compared to no text input generation, highlighting its potential for generating tailored time-series data.

Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to compute the partition function. In this paper, we propose a novel min-min formulation for approximately learning probabilistic EBMs in combinatorially-large discrete spaces, such as sets or permutations. Our key idea is to jointly learn both an energy model and its log-partition, parameterized as a neural network. Our approach not only provides a novel tractable objective criterion to learn EBMs by stochastic gradient descent (without relying on MCMC), but also a novel means to estimate the log-partition function on unseen data points. On the theoretical side, we show that our approach recovers the optimal MLE solution when optimizing in the space of continuous functions. Furthermore, we show that our approach naturally extends to the broader family of Fenchel-Young losses, allowing us to obtain the first tractable method for optimizing the sparsemax loss in combinatorially-large spaces. We demonstrate our approach on multilabel classification and label ranking.

Spatio-temporal forecasting provides potential for discovering evolutionary patterns in geographical scientific data. However, geographical scientific datasets are often manually collected across studies, resulting in limited time spans and data scales. This hinders existing methods that rely on rich historical data for individual entities. In this paper, we argue that heterogeneous datasets from different studies can provide complementary insights into the same underlying system, helping improve predictions for geographical entities with limited historical data. To this end, we propose a Segment Quadtree Geographical Embedding Framework (SQGEF). SQGEF integrates knowledge from datasets with varied target entities, time spans, and observation variables to learn unified representations for multi-granularity entities—including those absent during training. Specifically, we propose a novel data structure, Segment Quadtree, that flexibly accommodates entities of varying granularities. SQGEF not only captures multi-level interactions from grid data but also extracts nested relationships and human-defined boundaries from diverse entities, enabling a comprehensive understanding of complex geographical structures. Experiments on real-world datasets demonstrate that SQGEF effectively represents unseen geographical entities and enhances performance for various models.

Guidance techniques are simple yet effective for improving conditional generation in diffusion models. Albeit their empirical success, the practical implementation of guidance diverges significantly from its theoretical motivation. In this paper, we reconcile this discrepancy by replacing the scaled marginal distribution target, which we prove theoretically invalid, with a valid scaled joint distribution objective. Additionally, we show that the established guidance implementations are approximations to the intractable optimal solution under no future foresight constraint. Building on these theoretical insights, we propose rectified gradient guidance (REG), a versatile enhancement designed to boost the performance of existing guidance methods. Experiments on 1D and 2D demonstrate that REG provides a better approximation to the optimal solution than prior guidance techniques, validating the proposed theoretical framework. Extensive experiments on class-conditional ImageNet and text-to-image generation tasks show that incorporating REG consistently improves FID and Inception/CLIP scores across various settings compared to its absence.

The growing computational demands of training large language models (LLMs) necessitate more efficient methods. Quantized training presents a promising solution by enabling low-bit arithmetic operations to reduce these costs. While FP8 precision has demonstrated feasibility, leveraging FP4 remains a challenge due to significant quantization errors and limited representational capacity. This work introduces the first FP4 training framework for LLMs, addressing these challenges with two key innovations: a differentiable quantization estimator for precise weight updates and an outlier clamping and compensation strategy to prevent activation collapse. To ensure stability, the framework integrates a mixed-precision training scheme and vector-wise quantization. Experimental results demonstrate that our FP4 framework achieves accuracy comparable to BF16 and FP8, with minimal degradation, scaling effectively to 13B-parameter LLMs trained on up to 100B tokens. With the emergence of next-generation hardware supporting FP4, our framework sets a foundation for efficient ultra-low precision training.

Resolving conflicts is critical for improving the reliability of multi-view classification. While prior work focuses on learning consistent and informative representations across views, it often assumes perfect alignment and equal importance of all views, an assumption rarely met in real-world scenarios, as some views may express distinct information. To address this, we develop a computational trust-based discounting method that enhances the Evidential Multi-view framework by accounting for the instance-wise reliability of each view through a probability-sensitive trust mechanism. We evaluate our method on six real-world datasets using Top-1 Accuracy, Fleiss’ Kappa, and a new metric, Multi-View Agreement with Ground Truth, to assess prediction reliability. We also assess the effectiveness of uncertainty in indicating prediction correctness via AUROC. Additionally, we test the scalability of our method through end-to-end training on a large-scale dataset. The experimental results show that computational trust can effectively resolve conflicts, paving the way for more reliable multi-view classification models in real-world applications. Codes available at: https://github.com/OverfitFlow/Trust4Conflict

Since the introduction of Vision Transformer (ViT), patchification has long been regarded as a common image pre-processing approach for plain visual architectures. By compressing the spatial size of images, this approach can effectively shorten the token sequence and reduce the computational cost of ViT-like plain architectures. In this work, we aim to thoroughly examine the information loss caused by this patchification-based compressive encoding paradigm and how it affects visual understanding. We conduct extensive patch size scaling experiments and excitedly observe an intriguing scaling law in patchification: the models can consistently benefit from decreased patch sizes and attain improved predictive performance, until it reaches the minimum patch size of 1*1, i.e., pixel tokenization. This conclusion is broadly applicable across different vision tasks, various input scales, and diverse architectures such as ViT and the recent Mamba models. Moreover, as a by-product, we discover that with smaller patches, task-specific decoder heads become less critical for dense prediction. In the experiments, we successfully scale up the visual sequence to an exceptional length of 50,176 tokens, achieving a competitive test accuracy of 84.6% with a base-sized model on the ImageNet-1k benchmark. We hope this study can provide insights and theoretical foundations for future works of building non-compressive vision models.

Machine Unlearning (MU) aims at removing the influence of specific data points from a trained model, striving to achieve this at a fraction of the cost of full model retraining. In this paper, we analyze the efficiency of unlearning methods and establish the first upper and lower bounds on minimax computation times for this problem, characterizing the performance of the most efficient algorithm against the most difficult objective function. Specifically, for strongly convex objective functions and under the assumption that the forget data is inaccessible to the unlearning method, we provide a phase diagram for the *unlearning complexity ratio*---a novel metric that compares the computational cost of the best unlearning method to full model retraining. The phase diagram reveals three distinct regimes: one where unlearning at a reduced cost is infeasible, another where unlearning is trivial because adding noise suffices, and a third where unlearning achieves significant computational advantages over retraining. These findings highlight the critical role of factors such as data dimensionality, the number of samples to forget, and privacy constraints in determining the practical feasibility of unlearning.