GenAI4ELab/papercli-papers huggingface dataset:
Optimal transport-based conformal prediction
Authors: Gauthier Thurin; Kimia Nadjahi; Claire Boyer
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Conformal Prediction (CP) is a principled framework for quantifying uncertainty in black-box learning models, by constructing prediction sets with finite-sample coverage guarantees. Traditional approaches rely on scalar nonconformity scores, which fail to fully exploit the geometric structure of multivariate outputs, such as in multi-output regression or multiclass classification. Recent methods addressing this limitation impose predefined convex shapes for the prediction sets, potentially misaligning with the intrinsic data geometry. We introduce a novel CP procedure handling multivariate score functions through the lens of optimal transport. Specifically, we leverage Monge-Kantorovich vector ranks and quantiles to construct prediction region with flexible, potentially non-convex shapes, better suited to the complex uncertainty patterns encountered in multivariate learning tasks. We prove that our approach ensures finite-sample, distribution-free coverage properties, similar to typical CP methods. We then adapt our method for multi-output regression and multiclass classification, and also propose simple adjustments to generate adaptive prediction regions with asymptotic conditional coverage guarantees. Finally, we evaluate our method on practical regression and classification problems, illustrating its advantages in terms of (conditional) coverage and efficiency.
Structure Is All You Need: Structural Representation Learning on Hyper-Relational Knowledge Graphs
Authors: Jaejun Lee; Joyce Jiyoung Whang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Hyper-relational knowledge graphs (HKGs) enrich knowledge graphs by extending a triplet to a hyper-relational fact, where a set of qualifiers adds auxiliary information to a triplet. While many HKG representation learning methods have been proposed, they often fail to effectively utilize the HKG's structure. This paper demonstrates that thoroughly leveraging the structure of an HKG is crucial for reasoning on HKGs, and a purely structure-based representation learning method can achieve state-of-the-art performance on various link prediction tasks. We propose MAYPL, which learns to initialize representation vectors based on the structure of an HKG and employs an attentive neural message passing consisting of fact-level message computation and entity-centric and relation-centric aggregations, thereby computing the representations based solely on the structure. Due to its structure-driven learning, MAYPL can conduct inductive inferences on new entities and relations. MAYPL outperforms 40 knowledge graph completion methods in 10 datasets, compared with different baseline methods on different datasets to be tested from diverse perspectives.
Alpha-SQL: Zero-Shot Text-to-SQL using Monte Carlo Tree Search
Authors: Boyan Li; Jiayi Zhang; Ju Fan; Yanwei Xu; Chong Chen; Nan Tang; Yuyu Luo
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Text-to-SQL, which enables natural language interaction with databases, serves as a pivotal method across diverse industries.
With new, more powerful large language models (LLMs) emerging every few months, fine-tuning has become incredibly costly, labor-intensive, and error-prone. As an alternative, *zero-shot* Text-to-SQL, which leverages the growing knowledge and reasoning capabilities encoded in LLMs without task-specific fine-tuning, presents a promising and more challenging direction.
To address this challenge, we propose Alpha-SQL, a novel approach that leverages a Monte Carlo Tree Search (MCTS) framework to iteratively infer SQL construction actions based on partial reasoning states. To enhance the framework’s reasoning capabilities, we introduce *LLM-as-Action-Model* to dynamically generate SQL construction *actions* during the MCTS process, steering the search toward more promising SQL queries. Moreover, Alpha-SQL employs a self-supervised reward function to evaluate the quality of candidate SQL queries, ensuring more accurate and efficient query generation. Experimental results show that Alpha-SQL achieves 69.7% execution accuracy on the BIRD development set, using a 32B open-source LLM without fine-tuning. Alpha-SQL outperforms the best previous zero-shot approach based on GPT-4o by 2.5% on the BIRD development set.
Robust Multi-Agent Reinforcement Learning with Stochastic Adversary
Authors: Ziyuan Zhou; Guanjun Liu; Mengchu Zhou; Weiran Guo
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The performance of models trained by Multi-Agent Reinforcement Learning (MARL) is sensitive to perturbations in observations, lowering their trustworthiness in complex environments. Adversarial training is a valuable approach to enhance their performance robustness. However, existing methods often overfit to adversarial perturbations of observations and fail to incorporate prior information about the policy adopted by their protagonist agent, i.e., the primary one being trained. To address this important issue, this paper introduces Adversarial Training with Stochastic Adversary (ATSA), where the proposed adversary is trained online alongside the protagonist agent. The former consists of Stochastic Director (SDor) and SDor-guided generaTor (STor). SDor performs policy perturbations by minimizing the expected team reward of protagonists and maximizing the entropy of its policy, while STor generates adversarial perturbations of observations by following SDor's guidance. We prove that SDor's soft policy converges to a global optimum according to factorized maximum-entropy MARL and leads to the optimal adversary. This paper also introduces an SDor-STor loss function to quantify the difference between a) perturbations in the agent's policy and b) those advised by SDor. We evaluate our ATSA on StarCraft II tasks and autonomous driving scenarios, demonstrating that a) it is robust against diverse perturbations of observations while maintaining outstanding performance in perturbation-free environments, and b) it outperforms the state-of-the-art methods.
Graph-Supported Dynamic Algorithm Configuration for Multi-Objective Combinatorial Optimization
Authors: Robbert Reijnen; Yaoxin Wu; Zaharah Bukhsh; Yingqian Zhang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Deep reinforcement learning (DRL) has been widely used for dynamic algorithm configuration, particularly in evolutionary computation, which benefits from the adaptive update of parameters during the algorithmic execution. However, applying DRL to algorithm configuration for multi-objective combinatorial optimization (MOCO) problems remains relatively unexplored. This paper presents a novel graph neural network (GNN) based DRL to configure multi-objective evolutionary algorithms. We model the dynamic algorithm configuration as a Markov decision process, representing the convergence of solutions in the objective space by a graph, with their embeddings learned by a GNN to enhance the state representation. Experiments on diverse MOCO challenges indicate that our method outperforms traditional and DRL-based algorithm configuration methods in terms of efficacy and adaptability. It also exhibits advantageous generalizability across objective types and problem sizes, and applicability to different evolutionary computation methods.
A Memory Efficient Randomized Subspace Optimization Method for Training Large Language Models
Authors: Yiming Chen; Yuan Zhang; Yin Liu; Kun Yuan; Zaiwen Wen
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The memory challenges associated with training Large Language Models (LLMs) have become a critical concern, particularly when using the Adam optimizer. To address this issue, numerous memory-efficient techniques have been proposed, with GaLore standing out as a notable example designed to reduce the memory footprint of optimizer states. However, these approaches do not alleviate the memory burden imposed by activations, rendering them unsuitable for scenarios involving long context sequences or large mini-batches. Moreover, their convergence properties are still not well-understood in the literature. In this work, we introduce a Randomized Subspace Optimization framework for pre-training and fine-tuning LLMs. Our approach decomposes the high-dimensional training problem into a series of lower-dimensional subproblems. At each iteration, a random subspace is selected, and the parameters within that subspace are optimized. This structured reduction in dimensionality allows our method to simultaneously reduce memory usage for both activations and optimizer states. We establish comprehensive convergence guarantees and derive rates for various scenarios, accommodating different optimization strategies to solve the subproblems. Extensive experiments validate the superior memory and communication efficiency of our method, achieving performance comparable to GaLore and Adam.
BOPO: Neural Combinatorial Optimization via Best-anchored and Objective-guided Preference Optimization
Authors: Zijun Liao; Jinbiao Chen; Debing Wang; Zizhen Zhang; Jiahai Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Neural Combinatorial Optimization (NCO) has emerged as a promising approach for NP-hard problems. However, prevailing RL-based methods suffer from low sample efficiency due to sparse rewards and underused solutions. We propose *Best-anchored and Objective-guided Preference Optimization (BOPO)*, a training paradigm that leverages solution preferences via objective values. It introduces: (1) a best-anchored preference pair construction for better explore and exploit solutions, and (2) an objective-guided pairwise loss function that adaptively scales gradients via objective differences, removing reliance on reward models or reference policies. Experiments on Job-shop Scheduling Problem (JSP), Traveling Salesman Problem (TSP), and Flexible Job-shop Scheduling Problem (FJSP) show BOPO outperforms state-of-the-art neural methods, reducing optimality gaps impressively with efficient inference. BOPO is architecture-agnostic, enabling seamless integration with existing NCO models, and establishes preference optimization as a principled framework for combinatorial optimization.
LipsNet++: Unifying Filter and Controller into a Policy Network
Authors: Xujie Song; Liangfa Chen; Tong Liu; Wenxuan Wang; Yinuo Wang; Shentao Qin; Yinsong Ma; Jingliang Duan; Shengbo Eben Li
Venue: ICML 2025 (ICML 2025 spotlightposter)

Abstract: Deep reinforcement learning (RL) is effective for decision-making and control tasks like autonomous driving and embodied AI. However, RL policies often suffer from the action fluctuation problem in real-world applications, resulting in severe actuator wear, safety risk, and performance degradation. This paper identifies the two fundamental causes of action fluctuation: observation noise and policy non-smoothness. We propose LipsNet++, a novel policy network with Fourier filter layer and Lipschitz controller layer to separately address both causes. The filter layer incorporates a trainable filter matrix that automatically extracts important frequencies while suppressing noise frequencies in the observations. The controller layer introduces a Jacobian regularization technique to achieve a low Lipschitz constant, ensuring smooth fitting of a policy function. These two layers function analogously to the filter and controller in classical control theory, suggesting that filtering and control capabilities can be seamlessly integrated into a single policy network. Both simulated and real-world experiments demonstrate that LipsNet++ achieves the state-of-the-art noise robustness and action smoothness. The code and videos are publicly available at https://xjsong99.github.io/LipsNet_v2.
Deep Fuzzy Multi-view Learning for Reliable Classification
Authors: Siyuan Duan; Yuan Sun; Dezhong Peng; Guiduo Duan; Xi Peng; Peng Hu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Multi-view learning methods primarily focus on enhancing decision accuracy but often neglect the uncertainty arising from the intrinsic drawbacks of data, such as noise, conflicts, etc. To address this issue, several trusted multi-view learning approaches based on the Evidential Theory have been proposed to capture uncertainty in multi-view data. However, their performance is highly sensitive to conflicting views, and their uncertainty estimates, which depend on the total evidence and the number of categories, often underestimate uncertainty for conflicting multi-view instances due to the neglect of inherent conflicts between belief masses. To accurately classify conflicting multi-view instances and precisely estimate their intrinsic uncertainty, we present a novel Deep \underline{Fu}zzy \underline{M}ulti-View \underline{L}earning (\textbf{FUML}) method. Specifically, FUML leverages Fuzzy Set Theory to model the outputs of a classification neural network as fuzzy memberships, incorporating both possibility and necessity measures to quantify category credibility. A tailored loss function is then proposed to optimize the category credibility. To further enhance uncertainty estimation, we propose an entropy-based uncertainty estimation method leveraging category credibility. Additionally, we develop a Dual Reliable Multi-view Fusion (DRF) strategy that accounts for both view-specific uncertainty and inter-view conflict to mitigate the influence of conflicting views in multi-view fusion. Extensive experiments demonstrate that our FUML achieves state-of-the-art performance in terms of both accuracy and reliability.
The Berkeley Function Calling Leaderboard (BFCL): From Tool Use to Agentic Evaluation of Large Language Models
Authors: Shishir G Patil; Huanzhi Mao; Fanjia Yan; Charlie Cheng-Jie Ji; Vishnu Suresh; Ion Stoica; Joseph E. Gonzalez
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Function calling, also called tool use, refers to an LLM's ability to invoke external functions, APIs, or user-defined tools in response to user queries—an essential capability for agentic LLM applications. Despite its prominence, there did not exist a standard benchmark to evaluate function calling abilities, due to two reasons – the challenging nature of evaluating when a function call is valid, and the challenge of acquiring diverse, real-world functions. We present the Berkeley Function Calling Leaderboard (BFCL), a comprehensive benchmark designed to evaluate function calling capabilities in a wide range of real-world settings. The BFCL benchmark evaluates serial and parallel function calls, across various programming languages using a novel Abstract Syntax Tree (AST) evaluation method that can easily scale to thousands of functions. We construct the benchmark using a combination of expert curated, and user-contributed functions and associated prompts. Finally, BFCL benchmark evaluates the ability of models to abstain and reason in stateful multi-step agentic setting. Evaluating a wide range of models, we observe that while state-of-the-art LLMs excel at singleturn calls, memory, dynamic decision-making, and long-horizon reasoning remain open challenges. Since its preview, BFCL has become the defacto standard for evaluating function-calls, and can be accessed at gorilla.cs.berkeley.edu/leaderboard.html.
Learning Efficient Robotic Garment Manipulation with Standardization
Authors: Changshi Zhou; Feng Luan; hujiarui; Shaoqiang Meng; Zhipeng Wang; Yanchao Dong; Yanmin Zhou; Bin He
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Garment manipulation is a significant challenge for robots due to the complex dynamics and potential self-occlusion of garments. Most existing methods of efficient garment unfolding overlook the crucial role of standardization of flattened garments, which could significantly simplify downstream tasks like folding, ironing, and packing. This paper presents APS-Net, a novel approach to garment manipulation that combines unfolding and standardization in a unified framework. APS-Net employs a dual-arm, multi-primitive policy with dynamic fling to quickly unfold crumpled garments and pick-and-place(p&p)  for precise alignment. The purpose of garment standardization during unfolding involves not only maximizing surface coverage but also aligning the garment’s shape and orientation to predefined requirements. To guide effective robot learning, we introduce a novel factorized reward function for standardization, which incorporates garment coverage (Cov), keypoint distance (KD), and intersection-over-union (IoU) metrics. Additionally, we introduce a spatial action mask and an Action Optimized Module to improve unfolding efficiency by selecting actions and operation points effectively. In simulation, APS-Net outperforms state-of-the-art methods for long sleeves, achieving 3.9% better coverage, 5.2% higher IoU, and a 0.14 decrease in KD (7.09% relative reduction). Real-world folding tasks further demonstrate that standardization simplifies the folding process. Project page: https://hellohaia.github.io/APS/
TANGO: Clustering with Typicality-Aware Nonlocal Mode-Seeking and Graph-Cut Optimization
Authors: Haowen Ma; Zhiguo Long; Hua Meng
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Density-based mode-seeking methods generate a density-ascending dependency from low-density points towards higher-density neighbors.
Current mode-seeking methods identify modes by breaking some dependency connections, but relying heavily on local data characteristics, requiring case-by-case threshold settings or human intervention to be effective for different datasets. To address this issue, we introduce a novel concept called typicality, by exploring the locally defined dependency from a global perspective, to quantify how confident a point would be a mode. We devise an algorithm that effectively and efficiently identifies modes with the help of the global-view typicality. To implement and validate our idea, we design a clustering method called TANGO, which not only leverages typicality to detect modes, but also utilizes graph-cut with an improved path-based similarity to aggregate data into the final clusters. Moreover, this paper also provides some theoretical analysis on the proposed algorithm. Experimental results on several synthetic and extensive real-world datasets demonstrate the effectiveness and superiority of TANGO. The code is available at https://github.com/SWJTU-ML/TANGO_code.
GuidedQuant: Large Language Model Quantization via Exploiting End Loss Guidance
Authors: Jinuk Kim; Marwa El Halabi; Wonpyo Park; Clemens JS Schaefer; Deokjae Lee; Yeonhong Park; Jae W. Lee; Hyun Oh Song
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Post-training quantization is a key technique for reducing the memory and inference latency of large language models by quantizing weights and activations without requiring retraining. However, existing methods either (1) fail to account for the varying importance of hidden features to the end loss or, when incorporating end loss, (2) neglect the critical interactions between model weights. To address these limitations, we propose GuidedQuant, a novel quantization approach that integrates gradient information from the end loss into the quantization objective while preserving cross-weight dependencies within output channels. GuidedQuant consistently boosts the performance of state-of-the-art quantization methods across weight-only scalar, weight-only vector, and weight-and-activation quantization. Additionally, we introduce a novel non-uniform scalar quantization algorithm, which is guaranteed to monotonically decrease the quantization objective value, and outperforms existing methods in this category. We release the code at https://github.com/snu-mllab/GuidedQuant.
TMetaNet: Topological Meta-Learning Framework for Dynamic Link Prediction
Authors: Hao Li; Hao Wan; Yuzhou Chen; Dongsheng Ye; Yulia Gel; Hao Jiang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Dynamic graphs evolve continuously, presenting challenges for traditional graph learning due to their changing structures and temporal dependencies. Recent advancements have shown potential in addressing these challenges by developing suitable meta-learning-based dynamic graph neural network models. However, most meta-learning approaches for dynamic graphs rely on fixed weight update parameters, neglecting the essential intrinsic complex high-order topological information of dynamically evolving graphs. We have designed Dowker Zigzag Persistence (DZP), an efficient and stable dynamic graph persistent homology representation method based on Dowker complex and zigzag persistence, to capture the high-order features of dynamic graphs. Armed with the DZP ideas, we propose TMetaNet, a new meta-learning parameter update model based on dynamic topological features. By utilizing the distances between high-order topological features, TMetaNet enables more effective adaptation across snapshots. Experiments on real-world datasets demonstrate TMetaNet's state-of-the-art performance and resilience to graph noise, illustrating its high potential for meta-learning and dynamic graph analysis. Our code is available at https://github.com/Lihaogx/TMetaNet.
Finite-Sample Convergence Bounds for Trust Region Policy Optimization in Mean Field Games
Authors: Antonio Ocello; Daniil Tiapkin; Lorenzo Mancini; Mathieu Lauriere; Eric Moulines
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We introduce Mean Field Trust Region Policy Optimization (MF-TRPO), a novel algorithm designed to compute approximate Nash equilibria for ergodic Mean Field Games (MFGs) in finite state-action spaces. Building on the well-established performance of TRPO in the reinforcement learning (RL) setting, we extend its methodology to the MFG framework, leveraging its stability and robustness in policy optimization. Under standard assumptions in the MFG literature, we provide a rigorous analysis of MF-TRPO, establishing theoretical guarantees on its convergence. Our results cover both the exact formulation of the algorithm and its sample-based counterpart, where we derive high-probability guarantees and finite sample complexity. This work advances MFG optimization by bridging RL techniques with mean-field decision-making, offering a theoretically grounded approach to solving complex multi-agent problems.
Improving the Effective Receptive Field of Message-Passing Neural Networks
Authors: Shahaf E. Finder; Ron Shapira Weber; Moshe Eliasof; Oren Freifeld; Eran Treister
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Message-Passing Neural Networks (MPNNs) have become a cornerstone for processing and analyzing graph-structured data. However, their effectiveness is often hindered by phenomena such as over-squashing, where long-range dependencies or interactions are inadequately captured and expressed in the MPNN output. This limitation mirrors the challenges of the Effective Receptive Field (ERF) in Convolutional Neural Networks (CNNs), where the theoretical receptive field is underutilized in practice. In this work, we show and theoretically explain the limited ERF problem in MPNNs. Furthermore, inspired by recent advances in ERF augmentation for CNNs, we propose an Interleaved Multiscale Message-Passing Neural Networks (IM-MPNN) architecture to address these problems in MPNNs. Our method incorporates a hierarchical coarsening of the graph, enabling message-passing across multiscale representations and facilitating long-range interactions without excessive depth or parameterization. Through extensive evaluations on benchmarks such as the Long-Range Graph Benchmark (LRGB), we demonstrate substantial improvements over baseline MPNNs in capturing long-range dependencies while maintaining computational efficiency.