ICML 2025 Papers

Inspired by the Kolmogorov-Arnold representation theorem, KANs offer a novel framework for function approximation by replacing traditional neural network weights with learnable univariate functions. This design demonstrates significant potential as an efficient and interpretable alternative to traditional MLPs. However, KANs are characterized by a substantially larger number of trainable parameters, leading to challenges in memory efficiency and higher training costs compared to MLPs. To address this limitation, we propose to generate weights for KANs via a smaller meta-learner, called MetaKANs. By training KANs and MetaKANs in an end-to-end differentiable manner, MetaKANs achieve comparable or even superior performance while significantly reducing the number of trainable parameters and maintaining promising interpretability. Extensive experiments on diverse benchmark tasks, including symbolic regression, partial differential equation solving, and image classification, demonstrate the effectiveness of MetaKANs in improving parameter efficiency and memory usage. The proposed method provides an alternative technique for training KANs, that allows for greater scalability and extensibility, and narrows the training cost gap with MLPs stated in the original paper of KANs. Our code is available at \url{https://github.com/Murphyzc/MetaKAN}.

Evaluating in-the-wild coding capabilities of large language models (LLMs) is a challenging endeavor with no existing solution. We introduce Copilot Arena, a platform to collect user preferences through native integration into a developer's working environment. Copilot Arena comprises a novel interface for comparing pairs of model outputs, a sampling strategy to reduce experienced latency, and a prompting scheme to enable code completion functionality. Copilot Arena has served over 4.5 million suggestions from 10 models and collected over 11k pairwise judgements. Our results highlight the importance of model evaluations in integrated settings. We find that model rankings from Copilot Arena differ from those of existing evaluations, which we attribute to the unique distribution of data and tasks contained in Copilot Arena. We also identify novel insights into human preferences on code such as an observed consistency in user preference across programming languages yet significant variation in preference due to task category. We open-source Copilot Arena and release data to enable human-centric evaluations and improve understanding of coding assistants.

Two-dimensional (2D) convolutional kernels have dominated convolutional neural networks (CNNs) in image processing. While linearly scaling 1D convolution provides parameter efficiency, its naive integration into CNNs disrupts image locality, thereby degrading performance. This paper presents path convolution (PathConv), a novel CNN design exclusively with 1D operations, achieving ResNet-level accuracy using only 1/3 parameters. To obtain locality-preserving image traversal paths, we analyze Hilbert/Z-order paths and expose a fundamental trade-off: improved proximity for most pixels comes at the cost of excessive distances for other sacrificed ones to their neighbors. We resolve this issue by proposing path shifting, a succinct method to reposition sacrificed pixels. Using the randomized rounding algorithm, we show that three shifted paths are sufficient to offer better locality preservation than trivial raster scanning. To mitigate potential convergence issues caused by multiple paths, we design a lightweight path-aware channel attention mechanism to capture local intra-path and global inter-path dependencies. Experimental results further validate the efficacy of our method, establishing the proposed 1D PathConv as a viable backbone for efficient vision models.

Diffusion models have emerged as mainstream framework in visual generation. Building upon this success, the integration of Mixture of Experts (MoE) methods has shown promise in enhancing model scalability and performance. In this paper, we introduce Race-DiT, a novel MoE model for diffusion transformers with a flexible routing strategy, Expert Race. By allowing tokens and experts to compete together and select the top candidates, the model learns to dynamically assign experts to critical tokens. Additionally, we propose per-layer regularization to address challenges in shallow layer learning, and router similarity loss to prevent mode collapse, ensuring better expert utilization. Extensive experiments on ImageNet validate the effectiveness of our approach, showcasing significant performance gains while promising scaling properties.

This study considers multi-objective Bayesian optimization (MOBO) through the information gain of the Pareto-frontier. To calculate the information gain, a predictive distribution conditioned on the Pareto-frontier plays a key role, which is defined as a distribution truncated by the Pareto-frontier. However, it is usually impossible to obtain the entire Pareto-frontier in a continuous domain, and therefore, the complete truncation cannot be known. We consider an approximation of the truncated distribution by using a mixture distribution consisting of two possible approximate truncations obtainable from a subset of the Pareto-frontier, which we call over- and under-truncation. Since the optimal balance of the mixture is unknown beforehand, we propose optimizing the balancing coefficient through the variational lower bound maximization framework, by which the approximation error of the information gain can be minimized. Our empirical evaluation demonstrates the effectiveness of the proposed method particularly when the number of objective functions is large.

Controllability has become a critical issue in trustworthy machine learning, as a controllable learner allows for dynamic model adaptation to task requirements during testing. However, existing research lacks a comprehensive understanding of how to effectively measure and analyze the generalization performance of controllable learning methods. In an attempt to move towards this goal from a generalization perspective, we first establish a unified framework for controllable learning. Then, we develop a novel vector-contraction inequality and derive a tight generalization bound for general controllable learning classes, which is independent of the number of task targets except for logarithmic factors and represents the current best-in-class theoretical result. Furthermore, we derive generalization bounds for two typical controllable learning methods: embedding-based and hypernetwork-based methods. We also upper bound the Rademacher complexities of commonly used control and prediction functions, which serve as modular theoretical components for deriving generalization bounds for specific controllable learning methods in practical applications such as recommender systems. Our theoretical results without strong assumptions provide general theoretical guarantees for controllable learning methods and offer new insights into understanding controllability in machine learning.

LLM-to-NAS is a promising field at the intersection of Large Language Models (LLMs) and Neural Architecture Search (NAS), as recent research has explored the potential of architecture generation leveraging LLMs on multiple search spaces. However, the existing LLM-to-NAS methods face the challenges of limited search spaces, time-cost search efficiency, and uncompetitive performance across standard NAS benchmarks and multiple downstream tasks. In this work, we propose the Reflective Zero-cost NAS (RZ-NAS) method that can search NAS architectures with humanoid reflections and training-free metrics to elicit the power of LLMs. We rethink LLMs’ roles in NAS in current work and design a structured, prompt-based to comprehensively understand the search tasks and architectures from both text and code levels. By integrating LLM reflection modules, we use LLM-generated feedback to provide linguistic guidance within architecture optimization. RZ-NAS enables effective search within both micro and macro search spaces without extensive time cost, achieving SOTA performance across multiple downstream tasks.

Multi-Label Online Continual Learning (MOCL) requires models to learn continuously from endless multi-label data streams, facing complex challenges including persistent catastrophic forgetting, potential missing labels, and uncontrollable imbalanced class distributions. While existing MOCL methods attempt to address these challenges through various techniques, \textit{they all overlook label-specific region identifying and feature learning} - a fundamental solution rooted in multi-label learning but challenging to achieve in the online setting with incremental and partial supervision. To this end, we first leverage the inherent structural information of input data to evaluate and verify the innate localization capability of different pre-trained models. Then, we propose CUTER (CUT-out-and-Experience-Replay), a simple yet versatile strategy that provides fine-grained supervision signals by further identifying, strengthening and cutting out label-specific regions for efficient experience replay. It not only enables models to simultaneously address catastrophic forgetting, missing labels, and class imbalance challenges, but also serves as an orthogonal solution that seamlessly integrates with existing approaches. Extensive experiments on multiple multi-label image benchmarks demonstrate the superiority of our proposed method. The code is available at \href{https://github.com/wxr99/Cut-Replay}{https://github.com/wxr99/Cut-Replay}

Uniform-state discrete diffusion models hold the promise of fast text generation due to their inherent ability to self-correct. However, they are typically outperformed by autoregressive models and masked diffusion models. In this work, we narrow this performance gap by leveraging a key insight: Uniform-state diffusion processes naturally emerge from an underlying Gaussian diffusion. Our method, Duo, transfers powerful techniques from Gaussian diffusion to improve both training and sampling. First, we introduce a curriculum learning strategy guided by the Gaussian process, **doubling training speed** by reducing variance. Models trained with curriculum learning surpass autoregressive models in zero-shot perplexity on 3 of 7 benchmarks. Second, we present Discrete Consistency Distillation, which adapts consistency distillation from the continuous to the discrete setting. This algorithm **unlocks few-step generation in diffusion language models** by accelerating sampling by two orders of magnitude. We provide the code and model checkpoints on the project page: http://s-sahoo.github.io/duo

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. The OptMATH dataset and related resources are available at \url{https://github.com/optsuite/OptMATH}.

We introduce the task of Audible Action Temporal Localization, which aims to identify the spatio-temporal coordinates of audible movements. Unlike conventional tasks such as action recognition and temporal action localization, which broadly analyze video content, our task focuses on the distinct kinematic dynamics of audible actions. It is based on the premise that key actions are driven by inflectional movements; for example, collisions that produce sound often involve abrupt changes in motion. To capture this, we propose $TA^{2}Net$, a novel architecture that estimates inflectional flow using the second derivative of motion to determine collision timings without relying on audio input. $TA^{2}Net$ also integrates a self-supervised spatial localization strategy during training, combining contrastive learning with spatial analysis. This dual design improves temporal localization accuracy and simultaneously identifies sound sources within video frames. To support this task, we introduce a new benchmark dataset, $Audible623$, derived from Kinetics and UCF101 by removing non-essential vocalization subsets. Extensive experiments confirm the effectiveness of our approach on $Audible623$ and show strong generalizability to other domains, such as repetitive counting and sound source localization. Code and dataset are available at https://github.com/WenlongWan01/Audible623.

Diffusion models (DMs) create samples from a data distribution by starting from random noise and iteratively solving a reverse-time ordinary differential equation (ODE). Because each step in the iterative solution requires an expensive neural function evaluation (NFE), there has been significant interest in approximately solving these diffusion ODEs with only a few NFEs without modifying the underlying model. However, in the few NFE regime, we observe that tracking the true ODE evolution is fundamentally impossible using traditional ODE solvers. In this work, we propose a new method that learns a good solver for the DM, which we call **S**olving **for** the **S**olver (**S4S**). S4S directly optimizes a solver to obtain good generation quality by learning to match the output of a strong teacher solver. We evaluate S4S on six different pre-trained DMs, including pixel-space and latent-space DMs for both conditional and unconditional sampling. In all settings, S4S uniformly improves the sample quality relative to traditional ODE solvers. Moreover, our method is lightweight, data-free, and can be plugged in black-box on top of any discretization schedule or architecture to improve performance. Building on top of this, we also propose **S4S-Alt**, which optimizes both the solver and the discretization schedule. By exploiting the full design space of DM solvers, with 5 NFEs, we achieve an FID of 3.73 on CIFAR10 and 13.26 on MS-COCO, representing a $1.5\times$ improvement over previous training-free ODE methods.

This work aims to address the problem of long-term dynamic forecasting in complex environments where data are noisy and irregularly sampled. While recent studies have introduced some methods to improve prediction performance, these approaches still face a significant challenge in handling long-term extrapolation tasks under such complex scenarios. To overcome this challenge, we propose Phy-SSM, a general-purpose framework that integrates partial physics knowledge into state space models (SSMs) for long-term dynamics forecasting in complex environments. Our motivation is that SSMs can effectively capture long-range dependencies in sequential data and model continuous dynamical systems, while the incorporation of physics knowledge improves generalization ability. The key challenge lies in how to seamlessly incorporate partially known physics into SSMs. To achieve this, we decompose partially known system dynamics into known and unknown state matrices, which are integrated into a Phy-SSM unit. To further enhance long-term prediction performance, we introduce a physics state regularization term to make the estimated latent states align with system dynamics. Besides, we theoretically analyze the uniqueness of the solutions for our method. Extensive experiments on three real-world applications, including vehicle motion prediction, drone state prediction, and COVID-19 epidemiology forecasting, demonstrate the superior performance of Phy-SSM over the baselines in both long-term interpolation and extrapolation tasks. The source code will be publicly available upon publication.

Learning to solve complex tasks with signal temporal logic (STL) specifications is crucial to many real-world applications. However, most previous works only consider fixed or parametrized STL specifications due to the lack of a diverse STL dataset and encoders to effectively extract temporal logic information for downstream tasks. In this paper, we propose TeLoGraF, Temporal Logic Graph-encoded Flow, which utilizes Graph Neural Networks (GNN) encoder and flow-matching to learn solutions for general STL specifications. We identify four commonly used STL templates and collect a total of 200K specifications with paired demonstrations. We conduct extensive experiments in five simulation environments ranging from simple dynamical models in the 2D space to high-dimensional 7DoF Franka Panda robot arm and Ant quadruped navigation. Results show that our method outperforms other baselines in the STL satisfaction rate. Compared to classical STL planning algorithms, our approach is 10-100X faster in inference and can work on any system dynamics. Besides, we show our graph-encoding method's capability to solve complex STLs and robustness to out-distribution STL specifications. Code is available at https://github.com/mengyuest/TeLoGraF

Keeping large language models factually up-to-date is crucial for deployment, yet costly retraining remains a challenge. Knowledge editing offers a promising alternative, but methods are only tested on small-scale or synthetic edit benchmarks. In this work, we aim to bridge research into lifelong knowledge editing to real-world edits at practically relevant scale. We first introduce \texttt{WikiBigEdit}; a large-scale benchmark of real-world Wikidata edits, built to automatically extend lifelong for future-proof benchmarking. In its first instance, it includes over 500K question-answer pairs for knowledge editing alongside a comprehensive evaluation pipeline. Finally, we use \texttt{WikiBigEdit} to study existing knowledge editing techniques' ability to incorporate large volumes of real-world facts and contrast their capabilities to generic modification techniques such as retrieval augmentation and continual finetuning to acquire a complete picture of the practical extent of current lifelong knowledge editing.

Topology optimization plays a crucial role in designing efficient and manufacturable structures. Traditional methods often yield free-form voids that, although providing design flexibility, introduce significant manufacturing challenges and require extensive post-processing. Conversely, feature-mapping topology optimization reduces post-processing efforts by constructing topologies using predefined geometric features. Nevertheless, existing approaches are significantly constrained by the limited set of geometric features available, the variety of parameters that each type of geometric feature can possess, and the necessity of employing differentiable signed distance functions. In this paper, we present a novel method that combines Neural Heaviside Signed Distance Functions (Heaviside SDFs) with structured latent shape representations to generate manufacturable voids directly within the optimization framework. Our architecture incorporates encoder and decoder networks to effectively approximate the Heaviside function and facilitate optimization within a unified latent space, thus addressing the feature diversity limitations of current feature-mapping techniques. Experimental results validate the effectiveness of our approach in balancing structural compliance, offering a new pathway to CAD-integrated design with minimal human intervention.

Embedding probability distributions into reproducing kernel Hilbert spaces (RKHS) has enabled powerful nonparametric methods such as the maximum mean discrepancy (MMD), a statistical distance with strong theoretical and computational properties. At its core, the MMD relies on kernel mean embeddings to represent distributions as mean functions in RKHS. However, it remains unclear if the mean function is the only meaningful RKHS representation. Inspired by generalised quantiles, we introduce the notion of *kernel quantile embeddings (KQEs)*. We then use KQEs to construct a family of distances that: (i) are probability metrics under weaker kernel conditions than MMD; (ii) recover a kernelised form of the sliced Wasserstein distance; and (iii) can be efficiently estimated with near-linear cost. Through hypothesis testing, we show that these distances offer a competitive alternative to MMD and its fast approximations.

Reinforcement learning (RL) for continuous control often requires large amounts of online interaction data. Value-based RL methods can mitigate this burden by offering relatively high sample efficiency. Some studies further enhance sample efficiency by incorporating offline demonstration data to “kick-start” training, achieving promising results in continuous control. However, they typically compute the Q-function independently for each action dimension, neglecting interdependencies and making it harder to identify optimal actions when learning from suboptimal data, such as non-expert demonstration and online-collected data during the training process. To address these issues, we propose Auto-Regressive Soft Q-learning (ARSQ), a value-based RL algorithm that models Q-values in a coarse-to-fine, auto-regressive manner. First, ARSQ decomposes the continuous action space into discrete spaces in a coarse-to-fine hierarchy, enhancing sample efficiency for fine-grained continuous control tasks. Next, it auto-regressively predicts dimensional action advantages within each decision step, enabling more effective decision-making in continuous control tasks. We evaluate ARSQ on two continuous control benchmarks, RLBench and D4RL, integrating demonstration data into online training. On D4RL, which includes non-expert demonstrations, ARSQ achieves an average 1.62× performance improvement over SOTA value-based baseline. On RLBench, which incorporates expert demonstrations, ARSQ surpasses various baselines, demonstrating its effectiveness in learning from suboptimal online-collected data.

We study in this work the problem of multi-class logistic regression with one major class and multiple rare classes, which is motivated by a real application in TikTok live stream data. The model is inspired by the two-class logistic regression model of Wang (2020) but with surprising theoretical findings, which in turn motivate new estimation methods with excellent statistical and computational efficiency. Specifically, since rigorous theoretical analysis suggests that the resulting maximum likelihood estimators of different rare classes should be asymptotically independent, we consider to solve multiple pairwise two-class logistic regression problems instead of optimizing the joint log-likelihood function with computational challenge in multi-class problem, which are computationally much easier and can be conducted in a fully parallel way. To further reduce the computation cost, a subsample-based pairwise likelihood estimator is developed by down-sampling the major class. We show rigorously that the resulting estimators could be as asymptotically efficient as the global maximum likelihood estimator under appropriate regularity conditions. Extensive simulation studies are presented to support our theoretical findings and a TikTok live stream dataset is analyzed for illustration purpose.