ICML 2025 论文列表

Large language models (LLMs) exhibit remarkable task generalization, solving tasks they were never explicitly trained on with only a few demonstrations. This raises a fundamental question: When can learning from a small set of tasks generalize to a large task family? In this paper, we investigate task generalization through the lens of autoregressive compositional structure, where each task is a composition of T operations, and each operation is among a finite family of D subtasks. This yields a total class of size~D^T. We first show that generalization to all D^T tasks is theoretically achievable by training on only \tilde{O}(D) tasks. Empirically, we demonstrate that Transformers achieve such exponential task generalization on sparse parity functions via In-context Learning (ICL) and chain-of-thought (CoT) reasoning. We further demonstrate this exponential generalization in arithmetic and language translation, extending beyond parity functions.

Diffusion models have achieved remarkable progress on image-to-video (I2V) generation, while their noise-to-data generation process is inherently mismatched with this task, which may lead to suboptimal synthesis quality. In this work, we present FrameBridge. By modeling the frame-to-frames generation process with a bridge model based data-to-data generative process, we are able to fully exploit the information contained in the given image and improve the consistency between the generation process and I2V task. Moreover, we propose two novel techniques toward the two popular settings of training I2V models, respectively. Firstly, we propose SNR-Aligned Fine-tuning (SAF), making the first attempt to fine-tune a diffusion model to a bridge model and, therefore, allowing us to utilize the pre-trained diffusion-based text-to-video (T2V) models. Secondly, we propose neural prior, further improving the synthesis quality of FrameBridge when training from scratch. Experiments conducted on WebVid-2M and UCF-101 demonstrate the superior quality of FrameBridge in comparison with the diffusion counterpart (zero-shot FVD 95 vs. 192 on MSR-VTT and non-zero-shot FVD 122 vs. 171 on UCF-101), and the advantages of our proposed SAF and neural prior for bridge-based I2V models. The project page: https://framebridge-icml.github.io/

The generated responses of large language models (LLMs) are often fine-tuned to human preferences through a process called reinforcement learning from human feedback (RLHF). As RLHF relies on a challenging training sequence, whereby a separate reward model is independently learned and then later applied to LLM policy updates, ongoing research effort has targeted more straightforward alternatives. In this regard, direct preference optimization (DPO) and its many offshoots circumvent the need for a separate reward training step. Instead, through the judicious use of a reparameterization trick that induces an implicit reward, DPO and related methods consolidate learning to the minimization of a single loss function. And yet despite demonstrable success in some real-world settings, we prove that DPO-based objectives are nonetheless subject to sub-optimal regularization and counter-intuitive interpolation behaviors, underappreciated artifacts of the reparameterizations upon which they are based. To this end, we introduce an explicit preference optimization framework termed EXPO that requires no analogous reparameterization to achieve an implicit reward. Quite differently, we merely posit intuitively-appealing regularization factors from scratch that transparently avoid the potential pitfalls of key DPO variants, provably satisfying regularization desiderata that prior methods do not. Empirical results serve to corroborate our analyses and showcase the efficacy of EXPO.

We present a comprehensive classical and parameterized complexity analysis of decision tree pruning operations, extending recent research on the complexity of learning small decision trees. Thereby, we offer new insights into the computational challenges of decision tree simplification, a crucial aspect of developing interpretable and efficient machine learning models. We focus on fundamental pruning operations of subtree replacement and raising, which are used in heuristics. Surprisingly, while optimal pruning can be performed in polynomial time for subtree replacement, the problem is NP-complete for subtree raising. Therefore, we identify parameters and combinations thereof that lead to fixed-parameter tractability or hardness, establishing a precise borderline between these complexity classes. For example, while subtree raising is hard for small domain size $D$ or number $d$ of features, it can be solved in $D^{2d} \cdot |I|^{O(1)}$ time, where $|I|$ is the input size. We complement our theoretical findings with preliminary experimental results, demonstrating the practical implications of our analysis.

In a fixed-confidence pure exploration problem in stochastic multi-armed bandits, an algorithm iteratively samples arms and should stop as early as possible and return the correct answer to a query about the arms distributions. We are interested in batched methods, which change their sampling behaviour only a few times, between batches of observations. We give an instance-dependent lower bound on the number of batches used by any sample efficient algorithm for any pure exploration task. We then give a general batched algorithm and prove upper bounds on its expected sample complexity and batch complexity. We illustrate both lower and upper bounds on best-arm identification and thresholding bandits.

We introduce Random Feature Representation Boosting (RFRBoost), a novel method for constructing deep residual random feature neural networks (RFNNs) using boosting theory. RFRBoost uses random features at each layer to learn the functional gradient of the network representation, enhancing performance while preserving the convex optimization benefits of RFNNs. In the case of MSE loss, we obtain closed-form solutions to greedy layer-wise boosting with random features. For general loss functions, we show that fitting random feature residual blocks reduces to solving a quadratically constrained least squares problem. Through extensive numerical experiments on tabular datasets for both regression and classification, we show that RFRBoost significantly outperforms RFNNs and end-to-end trained MLP ResNets in the small- to medium-scale regime where RFNNs are typically applied. Moreover, RFRBoost offers substantial computational benefits, and theoretical guarantees stemming from boosting theory.

Hypotheses are central to information acquisition, decision-making, and discovery. However, many real-world hypotheses are abstract, high-level statements that are difficult to validate directly. This challenge is further intensified by the rise of hypothesis generation from Large Language Models (LLMs), which are prone to hallucination and produce hypotheses in volumes that make manual validation impractical. Here we propose POPPER, an agentic framework for rigorous automated validation of free-form hypotheses. Guided by Karl Popper's principle of falsification, POPPER validates a hypothesis using LLM agents that design and execute falsification experiments targeting its measurable implications. A novel sequential testing framework ensures strict Type-I error control while actively gathering evidence from diverse observations, whether drawn from existing data or newly conducted procedures. We demonstrate POPPER on six domains including biology, economics, and sociology. POPPER delivers robust error control, high power, and scalability. Furthermore, compared to human scientists, POPPER achieved comparable performance in validating complex biological hypotheses while reducing time by 10 folds, providing a scalable, rigorous solution for hypothesis validation. POPPER is freely available at https://github.com/snap-stanford/POPPER.

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a method built on Continuous Normalizing Flows (CNFs) for sampling from high-dimensional and multi-modal distributions. AF is trained with a dynamic Optimal Transport (OT) objective incorporating Wasserstein regularization, and guided by annealing procedures, facilitating effective exploration of modes in high-dimensional spaces. Compared to recent NF methods, AF significantly improves training efficiency and stability, with minimal reliance on MC assistance. We demonstrate the superior performance of AF compared to state-of-the-art methods through extensive experiments on various challenging distributions and real-world datasets, particularly in high-dimensional and multi-modal settings. We also highlight AF’s potential for sampling the least favorable distributions.

Although transformers have demonstrated impressive capabilities for in-context learning (ICL) in practice, theoretical understanding of the underlying mechanism that allows transformers to perform ICL is still in its infancy. This work aims to theoretically study the training dynamics of transformers for in-context classification tasks. We demonstrate that, for in-context classification of Gaussian mixtures under certain assumptions, a single-layer transformer trained via gradient descent converges to a globally optimal model at a linear rate. We further quantify the impact of the training and testing prompt lengths on the ICL inference error of the trained transformer. We show that when the lengths of training and testing prompts are sufficiently large, the prediction of the trained transformer approaches the ground truth distribution of the labels. Experimental results corroborate the theoretical findings.

Understanding and improving generalization capabilities is crucial for both classical and quantum machine learning (QML). Recent studies have revealed shortcomings in current generalization theories, particularly those relying on uniform bounds, across both classical and quantum settings. In this work, we present a margin-based generalization bound for QML models, providing a more reliable framework for evaluating generalization. Our experimental studies on the quantum phase recognition dataset demonstrate that margin-based metrics are strong predictors of generalization performance, outperforming traditional metrics like parameter count. By connecting this margin-based metric to quantum information theory, we demonstrate how to enhance the generalization performance of QML through a classical-quantum hybrid approach when applied to classical data.

Backpropagation provides a generalized configuration for overcoming catastrophic forgetting. Optimizers such as SGD and Adam are commonly used for weight updates in continual learning and continual pre-training. However, access to gradient information is not always feasible in practice due to black-box APIs, hardware constraints, or non-differentiable systems, a challenge we refer to as the gradient bans. To bridge this gap, we introduce ZeroFlow, the first benchmark designed to evaluate gradient-free optimization algorithms for overcoming forgetting. ZeroFlow examines a suite of forward pass-based methods across various algorithms, forgetting scenarios, and datasets. Our results show that forward passes alone can be sufficient to mitigate forgetting. We uncover novel optimization principles that highlight the potential of forward pass-based methods in mitigating forgetting, managing task conflicts, and reducing memory demands. Additionally, we propose new enhancements that further improve forgetting resistance using only forward passes. This work provides essential tools and insights to advance the development of forward-pass-based methods for continual learning.

We reveal that feedforward network (FFN) layers, rather than attention layers, are the primary contributors to Vision Transformer (ViT) inference latency, with their impact signifying as model size increases. This finding highlights a critical opportunity for optimizing the efficiency of large-scale ViTs by focusing on FFN layers. In this work, we propose a novel channel idle mechanism that facilitates post-training structural reparameterization for efficient FFN layers during testing. Specifically, a set of feature channels remains idle and bypasses the nonlinear activation function in each FFN layer, thereby forming a linear pathway that enables structural reparameterization during inference. This mechanism results in a family of **RePa**rameterizable **Vi**sion **T**ransformers (RePaViTs), which achieve remarkable latency reductions with acceptable sacrifices (sometimes gains) in accuracy across various ViTs. The benefits of our method scale consistently with model sizes, demonstrating greater speed improvements and progressively narrowing accuracy gaps or even higher accuracies on larger models. In particular, RePa-ViT-Large and RePa-ViT-Huge enjoy **66.8%** and **68.7%** speed-ups with **+1.7%** and **+1.1%** higher top-1 accuracies under the same training strategy, respectively. RePaViT is the first to employ structural reparameterization on FFN layers to expedite ViTs to our best knowledge, and we believe that it represents an auspicious direction for efficient ViTs. Source code is available at https://github.com/Ackesnal/RePaViT.

High Dynamic Range Novel View Synthesis (HDR-NVS) aims to establish a 3D scene HDR model from Low Dynamic Range (LDR) imagery. Typically, multiple-exposure LDR images are employed to capture a wider range of brightness levels in a scene, as a single LDR image cannot represent both the brightest and darkest regions simultaneously. While effective, this multiple-exposure HDR-NVS approach has significant limitations, including susceptibility to motion artifacts (e.g., ghosting and blurring), high capture and storage costs. To overcome these challenges, we introduce, for the first time, the single-exposure HDR-NVS problem, where only single exposure LDR images are available during training. We further introduce a novel approach, Mono-HDR-3D, featuring two dedicated modules formulated by the LDR image formation principles, one for converting LDR colors to HDR counterparts, and the other for transforming HDR images to LDR format so that unsupervised learning is enabled in a closed loop. Designed as a meta-algorithm, our approach can be seamlessly integrated with existing NVS models. Extensive experiments show that Mono-HDR-3D significantly outperforms previous methods. Source code is released at https://github.com/prinasi/Mono-HDR-3D.

Although Recommender Systems (RS) have been well-developed for various fields of applications, they often suffer from a crisis of platform credibility with respect to RS confidence and fairness, which may drive users away, threatening the platform's long-term success. In recent years, some works have tried to solve these issues; however, they lack strong statistical guarantees. Therefore, there is an urgent need to solve both issues with a unifying framework with robust statistical guarantees. In this paper, we propose a novel and reliable framework called Equitable and Statistically Unbiased Recommendation (ENSUR)) to dynamically generate prediction sets for users across various groups, which are guaranteed 1) to include ground-truth items with user-predefined high confidence/probability (e.g., 90\%); 2) to ensure user fairness across different groups; 3) to have minimum efficient average prediction set sizes. We further design an efficient algorithm named Guaranteed User Fairness Algorithm (GUFA) to optimize the proposed method and derive upper bounds of risk and fairness metrics to speed up the optimization process. Moreover, we provide rigorous theoretical analysis concerning risk and fairness control and minimum set size. Extensive experiments validate the effectiveness of the proposed framework, which aligns with our theoretical analysis.

Uplift modeling is crucial for identifying individuals likely to respond to a treatment in applications like marketing and customer retention, but evaluating these models is challenging due to the inaccessibility of counterfactual outcomes in real-world settings. In this paper, we identify a fundamental limitation in existing evaluation metrics, such as the uplift and Qini curves, which fail to rank individuals with binary negative outcomes accurately. This can lead to biased evaluations, where biased models receive higher curve values than unbiased ones, resulting in suboptimal model selection. To address this, we propose the Principled Uplift Curve (PUC), a novel evaluation metric that assigns equal curve values of individuals with both positive and negative binary outcomes, offering a more balanced and unbiased assessment. We then derive the Principled Uplift Loss (PUL) function from the PUC and integrate it into a new uplift model, the Principled Treatment and Outcome Network (PTONet), to reduce bias during uplift model training. Experiments on both simulated and real-world datasets demonstrate that the PUC provides less biased evaluations, while PTONet outperforms existing methods. The source code is available at: https://github.com/euzmin/PUC.

Discovering dependence patterns between variables from observational data is a fundamental issue in data analysis. However, existing testing methods often fail to detect subtle yet critical patterns that occur within small regions of the data distribution--patterns we term rare dependence. These rare dependencies obscure the true underlying dependence structure in variables, particularly in causal discovery tasks. To address this issue, we propose a novel testing method that combines kernel-based (conditional) independence testing with adaptive sample importance reweighting. By learning and assigning higher importance weights to data points exhibiting significant dependence, our method amplifies the patterns and can detect them successfully. Theoretically, we analyze the asymptotic distributions of the statistics in this method and show the uniform bound of the learning scheme. Furthermore, we integrate our tests into the PC algorithm, a constraint-based approach for causal discovery, equipping it to uncover causal relationships even in the presence of rare dependence. Empirical evaluation of synthetic and real-world datasets comprehensively demonstrates the efficacy of our method.

Leveraging the powerful representation learning capabilities, deep multi-view clustering methods have demonstrated reliable performance by effectively integrating multi-source information from diverse views in recent years. Most existing methods rely on the assumption of clean views. However, noise is pervasive in real-world scenarios, leading to a significant degradation in performance. To tackle this problem, we propose a novel multi-view clustering framework for the automatic identification and rectification of noisy data, termed AIRMVC. Specifically, we reformulate noisy identification as an anomaly identification problem using GMM. We then design a hybrid rectification strategy to mitigate the adverse effects of noisy data based on the identification results. Furthermore, we introduce a noise-robust contrastive mechanism to generate reliable representations. Additionally, we provide a theoretical proof demonstrating that these representations can discard noisy information, thereby improving the performance of downstream tasks. Extensive experiments on six benchmark datasets demonstrate that AIRMVC outperforms state-of-the-art algorithms in terms of robustness in noisy scenarios. The code of AIRMVC are available at https://github.com/xihongyang1999/AIRMVC on Github.

While Large Language Models (LLMs) have exhibited remarkable emergent capabilities through extensive pre-training, they still face critical limitations in generalizing to specialized domains and handling diverse linguistic variations, known as distribution shifts. In this paper, we propose a Test-Time Learning (TTL) paradigm for LLMs, namely TLM, which dynamically adapts LLMs to target domains using only unlabeled test data during testing. Specifically, we first provide empirical evidence and theoretical insights to reveal that more accurate predictions from LLMs can be achieved by minimizing the input perplexity of the unlabeled test data. Based on this insight, we formulate the Test-Time Learning process of LLMs as input perplexity minimization, enabling self-supervised enhancement of LLM performance. Furthermore, we observe that high-perplexity samples tend to be more informative for model optimization. Accordingly, we introduce a Sample Efficient Learning Strategy that actively selects and emphasizes these high-perplexity samples for test-time updates. Lastly, to mitigate catastrophic forgetting and ensure adaptation stability, we adopt Low-Rank Adaptation (LoRA) instead of full-parameter optimization, which allows lightweight model updates while preserving more original knowledge from the model. We introduce the AdaptEval benchmark for TTL and demonstrate through experiments that TLM improves performance by at least 20% compared to original LLMs on domain knowledge adaptation.

Non-autoregressive (NAR) generative models are valuable because they can handle diverse conditional generation tasks in a more principled way than their autoregressive (AR) counterparts, which are constrained by sequential dependency requirements. Recent advancements in NAR models, such as diffusion language models, have demonstrated superior performance in unconditional generation compared to AR models (e.g., GPTs) of similar sizes. However, such improvements do not always lead to improved conditional generation performance. We show that a key reason for this gap is the difficulty in generalizing to conditional probability queries unseen during training. As a result, strong unconditional generation performance does not guarantee high-quality conditional generation. This paper proposes Tractable Transformers (Tracformer), a Transformer-based generative model that is more robust to different conditional generation tasks. Unlike existing models that rely solely on global contextual features derived from full inputs, Tracformers incorporate a sparse Transformer encoder to capture both local and global contextual information. This information is routed through a decoder for conditional generation. Empirical results demonstrate that Tracformers achieve state-of-the-art conditional generation performance on text modeling compared to recent diffusion and AR model baselines.