GenAI4ELab/papercli-papers huggingface dataset:
Improving Model Alignment Through Collective Intelligence of Open-Source Models
Authors: Junlin Wang; Roy Xie; Shang Zhu; Jue WANG; Ben Athiwaratkun; Bhuwan Dhingra; Shuaiwen Leon Song; Ce Zhang; James Zou
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Building helpful and harmless large language models (LLMs) requires effective model alignment approach based on human instructions and feedback, which necessitates high-quality human-labeled data. Constructing such datasets is often expensive and hard to scale, and may face potential limitations on diversity and generalization. To address these challenges, we introduce Mixture of Agents Alignment (MoAA), that leverages the collective strengths of various language models to provide high-quality data for model alignment. By employing MoAA, we enhance both supervised fine-tuning and preference optimization, leading to improved performance compared to using a single model alone to generate alignment data (e.g. using GPT-4o alone). Evaluation results show that our approach can improve win rate of LLaMA-3.1-8B-Instruct from 19.5 to 48.3 on Arena-Hard and from 22.33 to 57.23 on AlpacaEval2, highlighting a promising direction for model alignment through this new scalable and diverse synthetic data recipe. Furthermore, we demonstrate that MoAA enables a self-improvement pipeline, where models fine-tuned on MoA-generated data surpass their own initial capabilities, providing evidence that our approach can push the frontier of open-source LLMs without reliance on stronger external supervision. Data and code will be released.
High-Dimensional Prediction for Sequential Decision Making
Authors: Georgy Noarov; Ramya Ramalingam; Aaron Roth; Stephan Xie
Venue: ICML 2025 (ICML 2025 oral)

Abstract: We give an efficient algorithm for producing multi-dimensional forecasts in an online adversarial environment that have low bias subject to any polynomial number of conditioning events, that can depend both on external context and on our predictions themselves. We demonstrate the use of this algorithm with several applications. We show how to make predictions that can be transparently consumed by any polynomial number of downstream decision makers with different utility functions, guaranteeing them diminishing swap regret at optimal rates. We also give the first efficient algorithms for guaranteeing diminishing conditional regret in online combinatorial optimization problems for an arbitrary polynomial number of conditioning events --- i.e. on an arbitrary number of intersecting subsequences determined both by context and our own predictions. Finally, we give the first efficient algorithm for online multicalibration with $O(T^{2/3})$ rates in the ECE metric.
Robust Reward Alignment via Hypothesis Space Batch Cutting
Authors: Zhixian Xie; Haode Zhang; Yizhe Feng; Wanxin Jin
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Reward design in reinforcement learning and optimal control is challenging. Preference-based alignment addresses this by enabling agents to learn rewards from ranked trajectory pairs provided by humans. However, existing methods often struggle from poor robustness to unknown false human preferences. In this work, we propose a robust and efficient reward alignment method based on a novel and geometrically interpretable perspective: hypothesis space batched cutting. Our method iteratively refines the reward hypothesis space through “cuts” based on batches of human preferences. Within each batch, human preferences, queried based on disagreement, are grouped using a voting function to determine the appropriate cut, ensuring a bounded human query complexity. To handle unknown erroneous preferences, we introduce a conservative cutting method within each batch, preventing erroneous human preferences from making overly aggressive cuts to the hypothesis space. This guarantees provable robustness against false preferences, while eliminating the need to explicitly identify them. We evaluate our method in a model predictive control setting across diverse tasks. The results demonstrate that our framework achieves comparable or superior performance to state-of-the-art methods in error-free settings while significantly outperforming existing methods when handling a high percentage of erroneous human preferences.
Convergence of Consistency Model with Multistep Sampling under General Data Assumptions
Authors: Yiding Chen; Yiyi Zhang; Owen Oertell; Wen Sun
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Diffusion models accomplish remarkable success in data generation tasks across various domains. However, the iterative sampling process is computationally expensive. Consistency models are proposed to learn consistency functions to map from noise to data directly, which allows one-step fast data generation and multistep sampling to improve sample quality. In this paper, we study the convergence of consistency models when the self-consistency property holds approximately under the training distribution. Our analysis requires only mild data assumption and applies to a family of forward processes. When the target data distribution has bounded support or has tails that decay sufficiently fast, we show that the samples generated by the consistency model are close to the target distribution in Wasserstein distance; when the target distribution satisfies some smoothness assumption, we show that with an additional perturbation step for smoothing, the generated samples are close to the target distribution in total variation distance. We provide two case studies with commonly chosen forward processes to demonstrate the benefit of multistep sampling.
RLEF: Grounding Code LLMs in Execution Feedback with Reinforcement Learning
Authors: Jonas Gehring; Kunhao Zheng; Jade Copet; Vegard Mella; Taco Cohen; Gabriel Synnaeve
Venue: ICML 2025 (ICML 2025 spotlightposter)

Abstract: Large language models (LLMs) deployed as agents solve user-specified tasks over multiple steps while keeping the required manual engagement to a minimum. Crucially, such LLMs need to ground their generations in any feedback obtained to reliably achieve the desired outcomes. We propose an end-to-end reinforcement learning method for teaching models to leverage execution feedback in the realm of code synthesis, where state-of-the-art LLMs struggle to improve code iteratively compared to independent sampling. We benchmark on competitive programming tasks and achieve large performance gains with both small (8B parameters) and large (70B) models, outperforming previous work while reducing the number of samples required by an order of magnitude. Our analysis of inference-time behavior demonstrates that our method produces LLMs that effectively leverage automatic feedback over multiple steps.
Wasserstein Policy Optimization
Authors: David Pfau; Ian Davies; Diana L Borsa; João Guilherme Madeira Araújo; Brendan Daniel Tracey; Hado van Hasselt
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We introduce Wasserstein Policy Optimization (WPO), an actor-critic algorithm for reinforcement learning in continuous action spaces. WPO can be derived as an approximation to Wasserstein gradient flow over the space of all policies projected into a finite-dimensional parameter space (e.g., the weights of a neural network), leading to a simple and completely general closed-form update. The resulting algorithm combines many properties of deterministic and classic policy gradient methods. Like deterministic policy gradients, it exploits knowledge of the *gradient* of the action-value function with respect to the action. Like classic policy gradients, it can be applied to stochastic policies with arbitrary distributions over actions -- without using the reparameterization trick. We show results on the DeepMind Control Suite and a magnetic confinement fusion task which compare favorably with state-of-the-art continuous control methods.
Simplifying DINO via Coding Rate Regularization
Authors: Ziyang Wu; Jingyuan Zhang; Druv Pai; XuDong Wang; Chandan Singh; Jianwei Yang; Jianfeng Gao; Yi Ma
Venue: ICML 2025 (ICML 2025 poster)

Abstract: DINO and DINOv2 are two model families being widely used to learn representations from unlabeled imagery data at large scales. Their learned representations often enable state-of-the-art performance for downstream tasks, such as image classification and segmentation. However, they employ many empirically motivated design choices and their training pipelines are highly complex and unstable --- many hyperparameters need to be carefully tuned to ensure that the representations do not collapse --- which poses considerable difficulty to improving them or adapting them to new domains. In this work, we posit that we can remove most such-motivated idiosyncrasies in the pre-training pipelines, and only need to add an explicit coding rate term in the loss function to avoid collapse of the representations. As a result, we obtain highly simplified variants of the DINO and DINOv2 which we call SimDINO and SimDINOv2, respectively. Remarkably, these simplified models are more robust to different design choices, such as network architecture and hyperparameters, and they learn even higher-quality representations, measured by performance on downstream tasks, offering a Pareto improvement over the corresponding DINO and DINOv2 models. This work highlights the potential of using simplifying design principles to improve the empirical practice of deep learning. Code and model checkpoints are available at https://github.com/RobinWu218/SimDINO.
Boosting Protein Graph Representations through Static-Dynamic Fusion
Authors: Pengkang Guo; Bruno Correia; Pierre Vandergheynst; Daniel Probst
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Machine learning for protein modeling faces significant challenges due to proteins' inherently dynamic nature, yet most graph-based machine learning methods rely solely on static structural information. Recently, the growing availability of molecular dynamics trajectories provides new opportunities for understanding the dynamic behavior of proteins; however, computational methods for utilizing this dynamic information remain limited. We propose a novel graph representation that integrates both static structural information and dynamic correlations from molecular dynamics trajectories, enabling more comprehensive modeling of proteins. By applying relational graph neural networks (RGNNs) to process this heterogeneous representation, we demonstrate significant improvements over structure-based approaches across three distinct tasks: atomic adaptability prediction, binding site detection, and binding affinity prediction. Our results validate that combining static and dynamic information provides complementary signals for understanding protein-ligand interactions, offering new possibilities for drug design and structural biology applications.
Federated Generalised Variational Inference: A Robust Probabilistic Federated Learning Framework
Authors: Terje Mildner; Oliver Hamelijnck; Paris Giampouras; Theodoros Damoulas
Venue: ICML 2025 (ICML 2025 spotlightposter)

Abstract: We introduce FedGVI, a probabilistic Federated Learning (FL) framework that is robust to both prior and likelihood misspecification. FedGVI addresses limitations in both frequentist and Bayesian FL by providing unbiased predictions under model misspecification, with calibrated uncertainty quantification. Our approach generalises previous FL approaches, specifically Partitioned Variational Inference (Ashman et al., 2022), by allowing robust and conjugate updates, decreasing computational complexity at the clients. We offer theoretical analysis in terms of fixed-point convergence, optimality of the cavity distribution, and provable robustness to likelihood misspecification. Further, we empirically demonstrate the effectiveness of FedGVI in terms of improved robustness and predictive performance on multiple synthetic and real world classification data sets.
Symmetric Reinforcement Learning Loss for Robust Learning on Diverse Tasks and Model Scales
Authors: Ju-Seung Byun; Andrew Perrault
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Reinforcement learning (RL) training is inherently unstable due to factors such as moving targets and high gradient variance. Reinforcement Learning from Human Feedback (RLHF) and Reinforcement Learning from AI Feedback (RLAIF) introduce additional challenges. For instance, diverse preferences complicate the alignment process, and prediction errors in a trained reward model can become more severe as the LLM generates unseen outputs. These RL challenges create confusion about whether the probability of an action for a given state should be increased or decreased, similar to the noise in labels for classification tasks. In this work, we focus on RL algorithms that share learning difficulties with cross-entropy loss, especially for low-probability predictions. To enhance stability, we adapt reverse cross-entropy (RCE) from supervised learning for noisy data, defining a symmetric RL loss. We demonstrate performance improvements across various tasks and scales. We conduct experiments in discrete action tasks (Atari games) and continuous action space tasks (MuJoCo benchmark and Box2D) using Symmetric A2C (SA2C) and Symmetric PPO (SPPO). Notably, SPPO shows strong performance across different hyperparameters. Furthermore, we validate the symmetric RL loss in the RLHF framework using PPO for natural language processing tasks such as IMDB positive sentiment and TL;DR summarization.
Stronger Neyman Regret Guarantees for Adaptive Experimental Design
Authors: Georgy Noarov; Riccardo Fogliato; Martin Andres Bertran; Aaron Roth
Venue: ICML 2025 (ICML 2025 spotlightposter)

Abstract: We study the design of adaptive, sequential experiments for unbiased average treatment effect (ATE) estimation in the design-based potential outcomes setting. Our goal is to develop adaptive designs offering *sublinear Neyman regret*, meaning their efficiency must approach that of the hindsight-optimal nonadaptive design.
Recent work [Dai et al, 2023] introduced ClipOGD, the first method achieving $\widetilde{O}(\sqrt{T})$ expected Neyman regret under mild conditions. 
In this work, we propose adaptive designs with substantially stronger Neyman regret guarantees. In particular, we modify ClipOGD to obtain anytime $\widetilde{O}(\log T)$ Neyman regret under natural boundedness assumptions. 
Further, in the setting where experimental units have pre-treatment covariates, we introduce and study a class of contextual ``multigroup'' Neyman regret guarantees: Given a set of possibly overlapping groups based on the covariates, the adaptive design outperforms each group's best non-adaptive designs. In particular, we develop a contextual adaptive design with $\widetilde{O}(\sqrt{T})$ anytime multigroup Neyman regret. We empirically validate the proposed designs through an array of experiments.
Joint Localization and Activation Editing for Low-Resource Fine-Tuning
Authors: Wen Lai; Alexander Fraser; Ivan Titov
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, are commonly used to adapt LLMs. However, the effectiveness of standard PEFT methods is limited in low-resource scenarios with only a few hundred examples. Recent advances in interpretability research have inspired the emergence of activation editing (or steering) techniques, which modify the activations of specific model components. Due to their extremely small parameter counts, these methods show promise for small datasets. However, their performance is highly dependent on identifying the correct modules to edit and often lacks stability across different datasets. In this paper, we propose Joint Localization and Activation Editing (JoLA), a method that jointly learns (1) which heads in the Transformer to edit (2) whether the intervention should be additive, multiplicative, or both and (3) the intervention parameters themselves - the vectors applied as additive offsets or multiplicative scalings to the head output. Through evaluations on three benchmarks spanning commonsense reasoning, natural language understanding, and natural language generation, we demonstrate that JoLA consistently outperforms existing methods.
EmbodiedBench: Comprehensive Benchmarking Multi-modal Large Language Models for Vision-Driven Embodied Agents
Authors: Rui Yang; Hanyang Chen; Junyu Zhang; Mark Zhao; Cheng Qian; Kangrui Wang; Qineng Wang; Teja Venkat Koripella; Marziyeh Movahedi; Manling Li; Heng Ji; Huan Zhang; Tong Zhang
Venue: ICML 2025 (ICML 2025 oral)

Abstract: Leveraging Multi-modal Large Language Models (MLLMs) to create embodied agents offers a promising avenue for tackling real-world tasks. While language-centric embodied agents have garnered substantial attention, MLLM-based embodied agents remain underexplored due to the lack of comprehensive evaluation frameworks. To bridge this gap, we introduce EmbodiedBench, an extensive benchmark designed to evaluate vision-driven embodied agents.
EmbodiedBench features: (1) a diverse set of 1,128 testing tasks across four environments, ranging from high-level semantic tasks (e.g., household) to low-level tasks involving atomic actions (e.g., navigation and manipulation); and (2) six meticulously curated subsets evaluating essential agent capabilities like commonsense reasoning, complex instruction understanding, spatial awareness, visual perception, and long-term planning.
Through extensive experiments, we evaluated 24 leading proprietary and open-source MLLMs within EmbodiedBench. Our findings reveal that: MLLMs excel at high-level tasks but struggle with low-level manipulation, with the best model, GPT-4o, scoring only $28.9\\%$ on average. EmbodiedBench provides a multifaceted standardized evaluation platform that not only highlights existing challenges but also offers valuable insights to advance MLLM-based embodied agents. Our code and dataset are available at [https://embodiedbench.github.io](https://embodiedbench.github.io).
Multiple-policy Evaluation via Density Estimation
Authors: Yilei Chen; Aldo Pacchiano; Ioannis Paschalidis
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We study the multiple-policy evaluation problem where we are given a set of $K$ policies and the goal is to evaluate their performance (expected total reward over a fixed horizon) to an accuracy $\epsilon$ with probability at least $1-\delta$. We propose an algorithm named CAESAR for this problem. Our approach is based on computing an approximately optimal sampling distribution and using the data sampled from it to perform the simultaneous estimation of the policy values. CAESAR has two phases. In the first phase, we produce coarse estimates of the visitation distributions of the target policies at a low order sample complexity rate that scales with $\tilde{O}(\frac{1}{\epsilon})$. In the second phase, we approximate the optimal sampling distribution and compute the importance weighting ratios for all target policies by minimizing a step-wise quadratic loss function inspired by the DualDICE objective. Up to low order and logarithmic terms CAESAR achieves a sample complexity $\tilde{O}\left(\frac{H^4}{\epsilon^2}\sum_{h=1}^H\max_{k\in[K]}\sum_{s,a}\frac{(d_h^{\pi^k}(s,a))^2}{\mu^*_h(s,a)}\right)$, where $d^{\pi}$ is the visitation distribution of policy $\pi$, $\mu^*$ is the optimal sampling distribution, and $H$ is the horizon.
Emergent Symbolic Mechanisms Support Abstract Reasoning in Large Language Models
Authors: Yukang Yang; Declan Iain Campbell; Kaixuan Huang; Mengdi Wang; Jonathan D. Cohen; Taylor Whittington Webb
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Many recent studies have found evidence for emergent reasoning capabilities in large language models (LLMs), but debate persists concerning the robustness of these capabilities, and the extent to which they depend on structured reasoning mechanisms. To shed light on these issues, we study the internal mechanisms that support abstract reasoning in LLMs. We identify an emergent symbolic architecture that implements abstract reasoning via a series of three computations. In early layers, *symbol abstraction heads* convert input tokens to abstract variables based on the relations between those tokens. In intermediate layers, *symbolic induction heads* perform sequence induction over these abstract variables. Finally, in later layers, *retrieval heads* predict the next token by retrieving the value associated with the predicted abstract variable. These results point toward a resolution of the longstanding debate between symbolic and neural network approaches, suggesting that emergent reasoning in neural networks depends on the emergence of symbolic mechanisms.
Causal-PIK: Causality-based Physical Reasoning with a Physics-Informed Kernel
Authors: Carlota Parés Morlans; Michelle Yi; Claire Chen; Sarah A Wu; Rika Antonova; Tobias Gerstenberg; Jeannette Bohg
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Tasks that involve complex interactions between objects with unknown dynamics make planning before execution difficult. These tasks require agents to iteratively improve their actions after actively exploring causes and effects in the environment. For these type of tasks, we propose Causal-PIK, a method that leverages Bayesian optimization to reason about causal interactions via a Physics-Informed Kernel to help guide efficient search for the best next action. Experimental results on Virtual Tools and PHYRE physical reasoning benchmarks show that Causal-PIK outperforms state-of-the-art results, requiring fewer actions to reach the goal. We also compare Causal-PIK to human studies, including results from a new user study we conducted on the PHYRE benchmark. We find that Causal-PIK remains competitive on tasks that are very challenging, even for human problem-solvers.
CoastalBench: A Decade-Long High-Resolution Dataset to Emulate Complex Coastal Processes
Authors: Zelin Xu; Yupu Zhang; Tingsong Xiao; Maitane Olabarrieta Lizaso; Jose M. Gonzalez-Ondina; Zibo Liu; Shigang Chen; Zhe Jiang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Over 40\% of the global population lives within 100 kilometers of the coast, which contributes more than \$8 trillion annually to the global economy. Unfortunately, coastal ecosystems are increasingly vulnerable to more frequent and intense extreme weather events and rising sea levels. Coastal scientists use numerical models to simulate complex physical processes, but these models are often slow and expensive. In recent years, deep learning has become a promising alternative to reduce the cost of numerical models. However, progress has been hindered by the lack of a large-scale, high-resolution coastal simulation dataset to train and validate deep learning models. Existing studies often focus on relatively small datasets and simple processes. To fill this gap, we introduce a decade-long, high-resolution (<100m) coastal circulation modeling dataset on a real-world 3D mesh in southwest Florida with around 6 million cells. The dataset contains key oceanography variables (e.g., current velocities, free surface level, temperature, salinity) alongside external atmospheric and river forcings. We evaluated a customized Vision Transformer model that takes initial and boundary conditions and external forcings and predicts ocean variables at varying lead times. The dataset provides an opportunity to benchmark novel deep learning models for high-resolution coastal simulations (e.g., physics-informed machine learning, neural operator learning).
The code and dataset can be accessed at https://github.com/spatialdatasciencegroup/CoastalBench.