OpenRaiser/Intern-Atlas huggingface dataset:
Accelerating PDE-Constrained Optimization by the Derivative of Neural Operators
Venue: Conference ICML 2025
Year: 2025

PDE-Constrained Optimization (PDECO) problems can be accelerated significantly by employing gradient-based methods with surrogate models like neural operators compared to traditional numerical solvers. However, this approach faces two key challenges: (1) **Data inefficiency**: Lack of efficient data sampling and effective training for neural operators, particularly for optimization purpose. (2) **Instability**: High risk of optimization derailment due to inaccurate neural operator predictions and gradients. To address these challenges, we propose a novel framework: (1) **Optimization-oriented training**: we leverage data from full steps of traditional optimization algorithms and employ a specialized training method for neural operators. (2) **Enhanced derivative learning**: We introduce a *Virtual-Fourier* layer to enhance derivative learning within the neural operator, a crucial aspect for gradient-based optimization. (3) **Hybrid optimization**: We implement a hybrid approach that integrates neural operators with numerical solvers, providing robust regularization for the optimization process. Our extensive experimental results demonstrate the effectiveness of our model in accurately learning operators and their derivatives. Furthermore, our hybrid optimization approach exhibits robust convergence.
Whoever Started the interference Should End It: Guiding Data-Free Model Merging via Task Vectors
Venue: Conference ICML 2025
Year: 2025

Model merging seeks to integrate task-specific expert models into a unified architecture while preserving multi-task generalization capabilities, yet parameter interference between constituent models frequently induces performance degradation. Although prior work has explored many merging strategies, resolving interference without additional data for retraining or test-time computation remains challenging. In this paper, we theoretically demonstrate that the task vectors of the linear layer constitute an approximate linear subspace for its corresponding input. Therefore, we can minimize interference under the guidance of task vectors. Based on this insight, we propose \textbf{WUDI-Merging} (\textbf{W}hoever started the interference sho\textbf{U}ld en\textbf{D} \textbf{I}t), a simple yet effective model merging method that eliminates interference without any additional data or rescaling coefficients. Comprehensive empirical evaluations across vision and language benchmarks demonstrate our method's superiority, achieving state-of-the-art performance in data-free model merging scenarios (average 10.9\% improvement versus baseline methods) while even outperforming mainstream test-time adaptation approaches by 3.3\%, and only very few computing resources are required. The code will be publicly available soon.
SketchDNN: Joint Continuous-Discrete Diffusion for CAD Sketch Generation
Venue: Conference ICML 2025
Year: 2025

We present SketchDNN, a generative model for synthesizing CAD sketches that jointly models both continuous parameters and discrete class labels through a unified continuous-discrete diffusion process. Our core innovation is Gaussian-Softmax diffusion, where logits perturbed with Gaussian noise are projected onto the probability simplex via a softmax transformation, facilitating blended class labels for discrete variables. This formulation addresses 2 key challenges, namely, the heterogeneity of primitive parameterizations and the permutation invariance of primitives in CAD sketches. Our approach significantly improves generation quality, reducing Fréchet Inception Distance (FID) from 16.04 to 7.80 and negative log-likelihood (NLL) from 84.8 to 81.33, establishing a new state-of-the-art in CAD sketch generation on the SketchGraphs dataset.
Adaptive Sample Sharing for Multi Agent Linear Bandits
Venue: Conference ICML 2025
Year: 2025

The multi-agent linear bandit setting is a well-known setting for which designing efficient collaboration between agents remains challenging. This paper studies the impact of data sharing among agents on regret minimization. Unlike most existing approaches, our contribution does not rely on any assumptions on the bandit parameters structure. Our main result formalizes the trade-off between the bias and uncertainty of the bandit parameter estimation for efficient collaboration. This result is the cornerstone of the Bandit Adaptive Sample Sharing (BASS) algorithm, whose efficiency over the current state-of-the-art is validated through both theoretical analysis and empirical evaluations on both synthetic and real-world datasets. Furthermore, we demonstrate that, when agents' parameters display a cluster structure, our algorithm accurately recovers them.
BILBO: BILevel Bayesian Optimization
Venue: Conference ICML 2025
Year: 2025

Bilevel optimization is characterized by a two-level optimization structure, where the upper-level problem is constrained by optimal lower-level solutions, and such structures are prevalent in real-world problems. The constraint by optimal lower-level solutions poses significant challenges, especially in noisy, constrained, and derivative-free settings, as repeating lower-level optimizations is sample inefficient and predicted lower-level solutions may be suboptimal. We present BILevel Bayesian Optimization (BILBO), a novel Bayesian optimization algorithm for general bilevel problems with blackbox functions, which optimizes both upper- and lower-level problems simultaneously, without the repeated lower-level optimization required by existing methods. BILBO samples from confidence-bounds based trusted sets, which bounds the suboptimality on the lower level. Moreover, BILBO selects only one function query per iteration, where the function query selection strategy incorporates the uncertainty of estimated lower-level solutions and includes a conditional reassignment of the query to encourage exploration of the lower-level objective. The performance of BILBO is theoretically guaranteed with a sublinear regret bound for commonly used kernels and is empirically evaluated on several synthetic and real-world problems.
Clipping Improves Adam-Norm and AdaGrad-Norm when the Noise Is Heavy-Tailed
Venue: Conference ICML 2025
Year: 2025

Methods with adaptive stepsizes, such as AdaGrad and Adam, are essential for training modern Deep Learning models, especially Large Language Models. Typically, the noise in the stochastic gradients is heavy-tailed for the later ones. Gradient clipping provably helps to achieve good high-probability convergence for such noises. However, despite the similarity between AdaGrad/Adam and Clip-SGD, the current understanding of the high-probability convergence of AdaGrad/Adam-type methods is limited in this case. In this work, we prove that AdaGrad/Adam (and their delayed version) can have provably bad high-probability convergence if the noise is heavy-tailed. We also show that gradient clipping fixes this issue, i.e., we derive new high-probability convergence bounds with polylogarithmic dependence on the confidence level for AdaGrad-Norm and Adam-Norm with clipping and with/without delay for smooth convex/non-convex stochastic optimization with heavy-tailed noise. We extend our results to the case of AdaGrad/Adam with delayed stepsizes. Our empirical evaluations highlight the superiority of clipped versions of AdaGrad/Adam in handling the heavy-tailed noise.
Outlier Gradient Analysis: Efficiently Identifying Detrimental Training Samples for Deep Learning Models
Venue: Conference ICML 2025
Year: 2025

A core data-centric learning challenge is the identification of training samples that are detrimental to model performance. Influence functions serve as a prominent tool for this task and offer a robust framework for assessing training data influence on model predictions. Despite their widespread use, their high computational cost associated with calculating the inverse of the Hessian matrix pose constraints, particularly when analyzing large-sized deep models. In this paper, we establish a bridge between identifying detrimental training samples via influence functions and outlier gradient detection. This transformation not only presents a straightforward and Hessian-free formulation but also provides insights into the role of the gradient in sample impact. Through systematic empirical evaluations, we first validate the hypothesis of our proposed outlier gradient analysis approach on synthetic datasets. We then demonstrate its effectiveness in detecting mislabeled samples in vision models and selecting data samples for improving performance of natural language processing transformer models. We also extend its use to influential sample identification for fine-tuning Large Language Models.
Copilot Arena: A Platform for Code LLM Evaluation in the Wild
Venue: Conference ICML 2025
Year: 2025

Evaluating in-the-wild coding capabilities of large language models (LLMs) is a challenging endeavor with no clear solution. We introduce Copilot Arena, a platform to collect user preferences for code generation through native integration into a developer's working environment. Copilot Arena comprises a novel interface for comparing pairs of model outputs, a sampling strategy optimized to reduce 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 more realistic 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.
Quamba2: A Robust and Scalable Post-training Quantization Framework for Selective State Space Models
Venue: Conference ICML 2025
Year: 2025

State Space Models (SSMs) are emerging as a compelling alternative to Transformers because of their consistent memory usage and high performance. Despite this, scaling up SSMs on cloud services or limited-resource devices is challenging due to their storage requirements and computational power. To overcome this, quantizing SSMs with low bit-width data formats can reduce model size and benefit from hardware acceleration. As SSMs are prone to quantization-induced errors, recent efforts have focused on optimizing a particular model or bit-width for efficiency without sacrificing performance. However, distinct bit-width configurations are essential for different scenarios, like W4A8 for boosting large-batch decoding speed, and W4A16 for enhancing generation speed in short prompt applications for a single user. To this end, we present Quamba2, compatible with W8A8, W4A8, and W4A16 for both Mamba1 and Mamba2 backbones, addressing the growing demand for SSM deployment on various platforms. Based on the channel order preserving and activation persistence of SSMs, we propose an offline approach to quantize inputs of a linear recurrence in 8-bit by sorting and clustering for input $x$, combined with a per-state-group quantization for input-dependent parameters $B$ and $C$. To ensure compute-invariance in the SSM output, we rearrange weights offline according to the clustering sequence. The experiments show that Quamba2-8B outperforms two state-of-the-art SSM quantization methods and delivers 1.3$\times$ and 3$\times$ speed-ups in the pre-filling and generation stages, respectively, while offering 4$\times$ memory reduction with only a $1.6\%$ average accuracy drop. The evaluation on MMLU shows the generalizability and robustness of our framework. The code and quantized models will be released at: https://github.com/enyac-group/Quamba.
Portable Reward Tuning: Towards Reusable Fine-Tuning across Different Pretrained Models
Venue: Conference ICML 2025
Year: 2025

While foundation models have been exploited for various expert tasks through fine-tuning, any foundation model will become outdated due to its old knowledge or limited capability. Thus the underlying foundation model should be eventually replaced by new ones, which leads to repeated cost of fine-tuning these new models. Existing work addresses this problem by inference-time tuning, i.e., modifying the output probabilities from the new foundation model with the outputs from the old foundation model and its fine-tuned model, which involves an additional overhead in inference by the latter two models. In this paper, we propose a new fine-tuning principle, Portable Reward Tuning (PRT), that reduces the inference overhead by its nature, based on the reformulation of fine-tuning as the reward maximization. Specifically, instead of fine-tuning parameters of the foundation models, PRT trains the reward model explicitly through the same loss function as in fine-tuning. During inference, the reward model can be used with any foundation model (with the same set of vocabularies or labels) through the formulation of reward maximization. Experimental results, covering both vision and language models, demonstrate that the PRT-trained model can achieve comparable accuracy to the existing work of inference-time tuning, with less inference cost.
SDP-CROWN: Efficient Bound Propagation for Neural Network Verification with Tightness of Semidefinite Programming
Venue: Conference ICML 2025
Year: 2025

Neural network verifiers based on linear bound propagation scale impressively to massive models but can be surprisingly loose when neuron coupling is crucial. Conversely, semidefinite programming (SDP) verifiers capture inter-neuron coupling naturally, but their cubic complexity restricts them to only small models. In this paper, we propose SDP-CROWN, a novel hybrid verification framework that combines the tightness of SDP relaxations with the scalability of bound-propagation verifiers. At the core of SDP-CROWN is a new linear bound, derived via SDP principles, that explicitly captures $\ell_{2}$-norm-based inter-neuron coupling while adding only one extra parameter per layer. This bound can be integrated seamlessly into any linear bound-propagation pipeline, preserving the inherent scalability of such methods yet significantly improving tightness. In theory, we prove that our inter-neuron bound can be up to a factor of $\sqrt{n}$ tighter than traditional per-neuron bounds. In practice, when incorporated into the state-of-the-art $α$-CROWN verifier, we observe markedly improved verification performance on large models with up to 65 thousand neurons and 2.47 million parameters, achieving tightness that approaches that of costly SDP-based methods.
Mixed-curvature decision trees and random forests
Venue: Conference ICML 2025
Year: 2025

Decision trees (DTs) and their random forest (RF) extensions are workhorses of classification and regression in Euclidean spaces. However, algorithms for learning in non-Euclidean spaces are still limited. We extend DT and RF algorithms to product manifolds: Cartesian products of several hyperbolic, hyperspherical, or Euclidean components. Such manifolds handle heterogeneous curvature while still factorizing neatly into simpler components, making them compelling embedding spaces for complex datasets. Our novel angular reformulation respects manifold geometry while preserving the algorithmic properties that make decision trees effective. In the special cases of single-component manifolds, our method simplifies to its Euclidean or hyperbolic counterparts, or introduces hyperspherical DT algorithms, depending on the curvature. In benchmarks on a diverse suite of 57 classification, regression, and link prediction tasks, our product RFs ranked first on 29 tasks and came in the top 2 for 41. This highlights the value of product RFs as straightforward yet powerful new tools for data analysis in product manifolds. Code for our method is available at https://github.com/pchlenski/manify.
Bellman Unbiasedness: Toward Provably Efficient Distributional Reinforcement Learning with General Value Function Approximation
Venue: Conference ICML 2025
Year: 2025

Distributional reinforcement learning improves performance by capturing environmental stochasticity, but a comprehensive theoretical understanding of its effectiveness remains elusive. In addition, the intractable element of the infinite dimensionality of distributions has been overlooked. In this paper, we present a regret analysis of distributional reinforcement learning with general value function approximation in a finite episodic Markov decision process setting. We first introduce a key notion of $\textit{Bellman unbiasedness}$ which is essential for exactly learnable and provably efficient distributional updates in an online manner. Among all types of statistical functionals for representing infinite-dimensional return distributions, our theoretical results demonstrate that only moment functionals can exactly capture the statistical information. Secondly, we propose a provably efficient algorithm, $\texttt{SF-LSVI}$, that achieves a tight regret bound of $\tilde{O}(d_E H^{\frac{3}{2}}\sqrt{K})$ where $H$ is the horizon, $K$ is the number of episodes, and $d_E$ is the eluder dimension of a function class.
Policy-labeled Preference Learning: Is Preference Enough for RLHF?
Venue: Conference ICML 2025
Year: 2025

To design rewards that align with human goals, Reinforcement Learning from Human Feedback (RLHF) has emerged as a prominent technique for learning reward functions from human preferences and optimizing policies via reinforcement learning algorithms. However, existing RLHF methods often misinterpret trajectories as being generated by an optimal policy, causing inaccurate likelihood estimation and suboptimal learning. Inspired by Direct Preference Optimization framework which directly learns optimal policy without explicit reward, we propose policy-labeled preference learning (PPL), to resolve likelihood mismatch issues by modeling human preferences with regret, which reflects behavior policy information. We also provide a contrastive KL regularization, derived from regret-based principles, to enhance RLHF in sequential decision making. Experiments in high-dimensional continuous control tasks demonstrate PPL's significant improvements in offline RLHF performance and its effectiveness in online settings.
Lightweight Dataset Pruning without Full Training via Example Difficulty and Prediction Uncertainty
Venue: Conference ICML 2025
Year: 2025

Recent advances in deep learning rely heavily on massive datasets, leading to substantial storage and training costs. Dataset pruning aims to alleviate this demand by discarding redundant examples. However, many existing methods require training a model with a full dataset over a large number of epochs before being able to prune the dataset, which ironically makes the pruning process more expensive than just training the model on the entire dataset. To overcome this limitation, we introduce a Difficulty and Uncertainty-Aware Lightweight (DUAL) score, which aims to identify important samples from the early training stage by considering both example difficulty and prediction uncertainty. To address a catastrophic accuracy drop at an extreme pruning, we further propose a ratio-adaptive sampling using Beta distribution. Experiments on various datasets and learning scenarios such as image classification with label noise and image corruption, and model architecture generalization demonstrate the superiority of our method over previous state-of-the-art (SOTA) approaches. Specifically, on ImageNet-1k, our method reduces the time cost for pruning to 66% compared to previous methods while achieving a SOTA, specifically 60% test accuracy at a 90% pruning ratio. On CIFAR datasets, the time cost is reduced to just 15% while maintaining SOTA performance.
Feature Learning beyond the Lazy-Rich Dichotomy: Insights from Representational Geometry
Venue: Conference ICML 2025
Year: 2025

Integrating task-relevant information into neural representations is a fundamental ability of both biological and artificial intelligence systems. Recent theories have categorized learning into two regimes: the rich regime, where neural networks actively learn task-relevant features, and the lazy regime, where networks behave like random feature models. Yet this simple lazy-rich dichotomy overlooks a diverse underlying taxonomy of feature learning, shaped by differences in learning algorithms, network architectures, and data properties. To address this gap, we introduce an analysis framework to study feature learning via the geometry of neural representations. Rather than inspecting individual learned features, we characterize how task-relevant representational manifolds evolve throughout the learning process. We show, in both theoretical and empirical settings, that as networks learn features, task-relevant manifolds untangle, with changes in manifold geometry revealing distinct learning stages and strategies beyond the lazy-rich dichotomy. This framework provides novel insights into feature learning across neuroscience and machine learning, shedding light on structural inductive biases in neural circuits and the mechanisms underlying out-of-distribution generalization.
Fine-Grained Captioning of Long Videos through Scene Graph Consolidation
Venue: Conference ICML 2025
Year: 2025

Recent advances in vision-language models have led to impressive progress in caption generation for images and short video clips. However, these models remain constrained by their limited temporal receptive fields, making it difficult to produce coherent and comprehensive captions for long videos. While several methods have been proposed to aggregate information across video segments, they often rely on supervised fine-tuning or incur significant computational overhead. To address these challenges, we introduce a novel framework for long video captioning based on graph consolidation. Our approach first generates segment-level captions, corresponding to individual frames or short video intervals, using off-the-shelf visual captioning models. These captions are then parsed into individual scene graphs, which are subsequently consolidated into a unified graph representation that preserves both holistic context and fine-grained details throughout the video. A lightweight graph-to-text decoder then produces the final video-level caption. This framework effectively extends the temporal understanding capabilities of existing models without requiring any additional fine-tuning on long video datasets. Experimental results show that our method significantly outperforms existing LLM-based consolidation approaches, achieving strong zero-shot performance while substantially reducing computational costs.