GenAI4ELab/papercli-papers huggingface dataset:
Multi-Stage Manipulation with Demonstration-Augmented Reward, Policy, and World Model Learning
Authors: Adrià López Escoriza; Nicklas Hansen; Stone Tao; Tongzhou Mu; Hao Su
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Long-horizon tasks in robotic manipulation present significant challenges in reinforcement learning (RL) due to the difficulty of designing dense reward functions and effectively exploring the expansive state-action space. However, despite a lack of dense rewards, these tasks often have a multi-stage structure, which can be leveraged to decompose the overall objective into manageable sub-goals. In this work, we propose DEMO³, a framework that exploits this structure for efficient learning from visual inputs. Specifically, our approach incorporates multi-stage dense reward learning, a bi-phasic training scheme, and world model learning into a carefully designed demonstration-augmented RL framework that strongly mitigates the challenge of exploration in long-horizon tasks. Our evaluations demonstrate that our method improves data-efficiency by an average of 40% and by 70% on particularly difficult tasks
compared to state-of-the-art approaches. We validate this across 16 sparse-reward tasks spanning four domains, including challenging humanoid visual control tasks using as few as five demonstrations.
Clone-Robust AI Alignment
Authors: Ariel D. Procaccia; Benjamin Schiffer; Shirley Zhang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A key challenge in training Large Language Models (LLMs) is properly aligning them with human preferences. Reinforcement Learning with Human Feedback (RLHF) uses pairwise comparisons from human annotators to train reward functions and has emerged as a popular alignment method. However, input datasets in RLHF can be unbalanced due to adversarial manipulation or inadvertent repetition. Therefore, we want RLHF algorithms to perform well even when the set of alternatives is not uniformly distributed. Drawing on insights from social choice theory, we introduce robustness to approximate clones, a desirable property of RLHF algorithms which requires that adding near-duplicate alternatives does not significantly change the learned reward function. We first demonstrate that the standard RLHF algorithm based on regularized maximum likelihood estimation (MLE) fails to satisfy this property. We then propose the weighted MLE, a new RLHF algorithm that modifies the standard regularized MLE by weighting alternatives based on their similarity to other alternatives. This new algorithm guarantees robustness to approximate clones while preserving desirable theoretical properties.
Blink of an eye: a simple theory for feature localization in generative models
Authors: Marvin Li; Aayush Karan; Sitan Chen
Venue: ICML 2025 (ICML 2025 oral)

Abstract: Large language models can exhibit unexpected behavior in the blink of an eye. In a recent computer use demo, a language model switched from coding to Googling pictures of Yellowstone, and these sudden shifts in behavior have also been observed in reasoning patterns and jailbreaks. This phenomenon is not unique to autoregressive models: in diffusion models, key features of the final output are decided in narrow ``critical windows'' of the generation process. In this work we develop a simple, unifying theory to explain this phenomenon. Using the formalism of stochastic localization for generative models, we show that it emerges generically as the generation process localizes to a sub-population of the distribution it models.  While critical windows have been studied at length in diffusion models, existing theory heavily relies on strong distributional assumptions and the particulars of Gaussian diffusion. In contrast to existing work our theory (1) applies to autoregressive and diffusion models; (2) makes very few distributional assumptions; (3) quantitatively improves previous bounds even when specialized to diffusions; and (4) requires basic mathematical tools. Finally, we validate our predictions empirically for LLMs and find that critical windows often coincide with failures in problem solving for various math and reasoning benchmarks.
Disentangling Invariant Subgraph via Variance Contrastive Estimation under Distribution Shifts
Authors: Haoyang Li; Xin Wang; Xueling Zhu; Weigao Wen; Wenwu Zhu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Graph neural networks (GNNs) have achieved remarkable success, yet most are developed under the in-distribution assumption and fail to generalize to out-of-distribution (OOD) environments. To tackle this problem, some graph invariant learning methods aim to learn invariant subgraph against distribution shifts, which heavily rely on predefined or automatically generated environment labels. However, directly annotating or estimating such environment labels from biased graph data is typically impractical or inaccurate for real-world graphs. Consequently, GNNs may become biased toward variant patterns, resulting in poor OOD generalization. In this paper, we propose to learn disentangled invariant subgraph via self-supervised contrastive variant subgraph estimation for achieving satisfactory OOD generalization. Specifically, we first propose a GNN-based invariant subgraph generator to disentangle the invariant and variant subgraphs. Then, we estimate the degree of the spurious correlations by conducting self-supervised contrastive learning on variant subgraphs. Thanks to the accurate identification and estimation of the variant subgraphs, we can capture invariant subgraphs effectively and further eliminate spurious correlations by inverse propensity score reweighting. We provide theoretical analyses to show that our model can disentangle the ground-truth invariant and variant subgraphs for OOD generalization. Extensive experiments demonstrate the superiority of our model over state-of-the-art baselines.
Falsification of Unconfoundedness by Testing Independence of Causal Mechanisms
Authors: Rickard Karlsson; JH Krijthe
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A major challenge in estimating treatment effects in observational studies is the reliance on untestable conditions such as the assumption of no unmeasured confounding. In this work, we propose an algorithm that can falsify the assumption of no unmeasured confounding in a setting with observational data from multiple heterogeneous sources, which we refer to as environments. Our proposed falsification strategy leverages a key observation that unmeasured confounding can cause observed causal mechanisms to appear dependent. Building on this observation, we develop a novel two-stage procedure that detects these dependencies with high statistical power while controlling false positives. The algorithm does not require access to randomized data and, in contrast to other falsification approaches, functions even under transportability violations when the environment has a direct effect on the outcome of interest. To showcase the practical relevance of our approach, we show that our method is able to efficiently detect confounding on both simulated and semi-synthetic data.
Test-Time Learning for Large Language Models
Authors: Jinwu Hu; Zitian Zhang; Guohao Chen; Xutao Wen; Chao Shuai; Wei Luo; Bin Xiao; Yuanqing Li; Mingkui Tan
Venue: ICML 2025 (ICML 2025 poster)

Abstract: While Large Language Models (LLMs) have exhibited remarkable emergent capabilities through extensive pre-training,  they still face critical limitations in generalizing to specialized domains and handling diverse linguistic variations, known as distribution shifts. In this paper, we propose a Test-Time Learning (TTL) paradigm for LLMs, namely TLM, which dynamically adapts LLMs to target domains using only unlabeled test data during testing. Specifically, we first provide empirical evidence and theoretical insights to reveal that more accurate predictions from LLMs can be achieved by minimizing the input perplexity of the unlabeled test data. Based on this insight, we formulate the Test-Time Learning process of LLMs as input perplexity minimization, enabling self-supervised enhancement of LLM performance. Furthermore, we observe that high-perplexity samples tend to be more informative for model optimization. Accordingly, we introduce a Sample Efficient Learning Strategy that actively selects and emphasizes these high-perplexity samples for test-time updates. Lastly, to mitigate catastrophic forgetting and ensure adaptation stability, we adopt Low-Rank Adaptation (LoRA) instead of full-parameter optimization, which allows lightweight model updates while preserving more original knowledge from the model. We introduce the AdaptEval benchmark for TTL and demonstrate through experiments that TLM improves performance by at least 20% compared to original LLMs on domain knowledge adaptation.
Learning Progress Driven Multi-Agent Curriculum
Authors: Wenshuai Zhao; Zhiyuan Li; Joni Pajarinen
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The number of agents can be an effective curriculum variable for controlling the difficulty of multi-agent reinforcement learning (MARL) tasks. Existing work typically uses manually defined curricula such as linear schemes. We identify two potential flaws while applying existing reward-based automatic curriculum learning methods in MARL: (1) The expected episode return used to measure task difficulty has high variance; (2) Credit assignment difficulty can be exacerbated in tasks where increasing the number of agents yields higher returns which is common in many MARL tasks. To address these issues, we propose to control the curriculum by using a TD-error based *learning progress* measure and by letting the curriculum proceed from an initial context distribution to the final task specific one. Since our approach maintains a distribution over the number of agents and measures learning progress rather than absolute performance, which often increases with the number of agents, we alleviate problem (2). Moreover, the learning progress measure naturally alleviates problem (1) by aggregating returns. In three challenging sparse-reward MARL benchmarks, our approach outperforms state-of-the-art baselines.
Solving Linear-Gaussian Bayesian Inverse Problems with Decoupled Diffusion Sequential Monte Carlo
Authors: Filip Ekström Kelvinius; Zheng Zhao; Fredrik Lindsten
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A recent line of research has exploited pre-trained generative diffusion models as priors for solving Bayesian inverse problems. We contribute to this research direction by designing a sequential Monte Carlo method for linear-Gaussian inverse problems which builds on ``decoupled diffusion", where the generative process is designed such that larger updates to the sample are possible. The method is asymptotically exact and we demonstrate the effectiveness of our Decoupled Diffusion Sequential Monte Carlo (DDSMC) algorithm on both synthetic as well as protein and image data. Further, we demonstrate how the approach can be extended to discrete data.
QT-DoG: Quantization-Aware Training for Domain Generalization
Authors: Saqib Javed; Hieu Le; Mathieu Salzmann
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A key challenge in Domain Generalization (DG) is preventing overfitting to source domains, which can be mitigated by finding flatter minima in the loss landscape. In this work, we propose Quantization-aware Training for Domain Generalization (QT-DoG) and demonstrate that weight quantization effectively leads to flatter minima in the loss landscape, thereby enhancing domain generalization. Unlike traditional quantization methods focused on model compression, QT-DoG exploits quantization as an implicit regularizer by inducing noise in model weights, guiding the optimization process toward flatter minima that are less sensitive to perturbations and overfitting. We provide both an analytical perspective and empirical evidence demonstrating that quantization inherently encourages flatter minima, leading to better generalization across domains. Moreover, with the benefit of reducing the model size through quantization, we demonstrate that an ensemble of multiple quantized models further yields superior accuracy than the state-of-the-art DG approaches with no computational or memory overheads. Code is released at: https://saqibjaved1.github.io/QT_DoG/.
MaskTwins: Dual-form Complementary Masking for Domain-Adaptive Image Segmentation
Authors: Jiawen Wang; Yinda Chen; Xiaoyu Liu; Che Liu; Dong Liu; Jianqing Gao; Zhiwei Xiong
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Recent works have correlated Masked Image Modeling (MIM) with consistency regularization in Unsupervised Domain Adaptation (UDA). However, they merely treat masking as a special form of deformation on the input images and neglect the theoretical analysis, which leads to a superficial understanding of masked reconstruction and insufficient exploitation of its potential in enhancing feature extraction and representation learning. In this paper, we reframe masked reconstruction as a sparse signal reconstruction problem and theoretically prove that the dual form of complementary masks possesses superior capabilities in extracting domain-agnostic image features. Based on this compelling insight, we propose MaskTwins, a simple yet effective UDA framework that integrates masked reconstruction directly into the main training pipeline. MaskTwins uncovers intrinsic structural patterns that persist across disparate domains by enforcing consistency between predictions of images masked in complementary ways, enabling domain generalization in an end-to-end manner. Extensive experiments verify the superiority of MaskTwins over baseline methods in natural and biological image segmentation.
These results demonstrate the significant advantages of MaskTwins in extracting domain-invariant features without the need for separate pre-training, offering a new paradigm for domain-adaptive segmentation. The source code is available at https://github.com/jwwang0421/masktwins.
CFP-Gen: Combinatorial Functional Protein Generation via Diffusion Language Models
Authors: Junbo Yin; Chao Zha; Wenjia He; Chencheng Xu; Xin Gao
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-GEN, a novel diffusion language model for Combinatorial Functional Protein GENeration. CFP-GEN facilitates the de novo protein design by integrating multimodal conditions with functional, sequence, and structural constraints. Specifically, an Annotation-Guided Feature Modulation (AGFM) module is introduced to dynamically adjust the protein feature distribution based on composable functional annotations, e.g., GO terms, IPR domains and EC numbers. Meanwhile, the ResidueControlled Functional Encoding (RCFE) module captures residue-wise interaction to ensure more precise control. Additionally, off-the-shelf 3D structure encoders can be seamlessly integrated to impose geometric constraints. We demonstrate that CFP-GEN enables high-throughput generation of novel proteins with functionality comparable to natural proteins, while achieving a high success rate in designing multifunctional proteins.
Distributed Event-Based Learning via ADMM
Authors: Guner Dilsad ER; Sebastian Trimpe; Michael Muehlebach
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We consider a distributed learning problem, where agents minimize a global objective function by exchanging information over a network. Our approach has two distinct features: (i) It substantially reduces communication by triggering communication only when necessary, and (ii) it is agnostic to the data-distribution among the different agents. We can therefore guarantee convergence even if the local data-distributions of the agents are arbitrarily distinct. We analyze the convergence rate of the algorithm both in convex and nonconvex settings and derive accelerated convergence rates in a convex setting. We also characterize the effect of communication failures and demonstrate that our algorithm is robust to communication failures. The article concludes by presenting numerical results from distributed learning tasks on the MNIST and CIFAR-10 datasets. The experiments underline communication savings of 35\% or more due to the event-based communication strategy, show resilience towards heterogeneous data-distributions, and highlight that our approach outperforms common baselines such as FedAvg, FedProx, SCAFFOLD and FedADMM.
SUICA: Learning Super-high Dimensional Sparse Implicit Neural Representations for Spatial Transcriptomics
Authors: Qingtian Zhu; Yumin Zheng; Yuling Sang; Yifan Zhan; Ziyan Zhu; Jun Ding; Yinqiang Zheng
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Spatial Transcriptomics (ST) is a method that captures gene expression profiles aligned with spatial coordinates. The discrete spatial distribution and the super-high dimensional sequencing results make ST data challenging to be modeled effectively. In this paper, we manage to model ST in a continuous and compact manner by the proposed tool, SUICA, empowered by the great approximation capability of Implicit Neural Representations (INRs) that can enhance both the spatial density and the gene expression. Concretely within the proposed SUICA, we incorporate a graph-augmented Autoencoder to effectively model the context information of the unstructured spots and provide informative embeddings that are structure-aware for spatial mapping. We also tackle the extremely skewed distribution in a regression-by-classification fashion and enforce classification-based loss functions for the optimization of SUICA. By extensive experiments of a wide range of common ST platforms under varying degradations, SUICA outperforms both conventional INR variants and SOTA methods regarding numerical fidelity, statistical correlation, and bio-conservation. The prediction by SUICA also showcases amplified gene signatures that enriches the bio-conservation of the raw data and benefits subsequent analysis.
AlphaQCM: Alpha Discovery in Finance with Distributional Reinforcement Learning
Authors: Zhoufan Zhu; Ke Zhu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: For researchers and practitioners in finance, finding synergistic formulaic alphas is very important but challenging. In this paper, we reconsider the discovery of synergistic formulaic alphas from the viewpoint of sequential decision-making, and conceptualize the entire alpha discovery process as a non-stationary and reward-sparse Markov decision process. To overcome the challenges of non-stationarity and reward-sparsity, we propose the AlphaQCM method, a novel distributional reinforcement learning method designed to search for synergistic formulaic alphas efficiently. The AlphaQCM method first learns the Q function and quantiles via a Q network and a quantile network, respectively. Then, the AlphaQCM method applies the quantiled conditional moment method to learn unbiased variance from the potentially biased quantiles. Guided by the learned Q function and variance, the AlphaQCM method navigates the non-stationarity and reward-sparsity to explore the vast search space of formulaic alphas with high efficacy. Empirical applications to real-world datasets demonstrate that our AlphaQCM method significantly outperforms its competitors, particularly when dealing with large datasets comprising numerous stocks.
Habitizing Diffusion Planning for Efficient and Effective Decision Making
Authors: Haofei Lu; Yifei Shen; Dongsheng Li; Junliang Xing; Dongqi Han
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Diffusion models have shown great promise in decision-making, also known as diffusion planning. However, the slow inference speeds limit their potential for broader real-world applications. 
Here, we introduce **Habi**, a general framework that transforms powerful but slow diffusion planning models into fast decision-making models, which mimics the cognitive process in the brain that costly goal-directed behavior gradually transitions to efficient habitual behavior with repetitive practice.   
Even using a laptop CPU, the habitized model can achieve an average **800+ Hz** decision-making frequency (faster than previous diffusion planners by orders of magnitude) on standard offline reinforcement learning benchmarks D4RL, while maintaining comparable or even higher performance compared to its corresponding diffusion planner. Our work proposes a fresh perspective of leveraging powerful diffusion models for real-world decision-making tasks. 
We also provide robust evaluations and analysis, offering insights from both biological and engineering perspectives for efficient and effective decision-making.
Solving Probabilistic Verification Problems of Neural Networks using Branch and Bound
Authors: David Boetius; Stefan Leue; Tobias Sutter
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Probabilistic verification problems of neural networks are concerned with formally analysing the output distribution of a neural network under a probability distribution of the inputs. Examples of probabilistic verification problems include verifying the demographic parity fairness notion or quantifying the safety of a neural network. We present a new algorithm for solving probabilistic verification problems of neural networks based on an algorithm for computing and iteratively refining lower and upper bounds on probabilities over the outputs of a neural network. By applying state-of-the-art bound propagation and branch and bound techniques from non-probabilistic neural network verification, our algorithm significantly outpaces existing probabilistic verification algorithms, reducing solving times for various benchmarks from the literature from tens of minutes to tens of seconds. Furthermore, our algorithm compares favourably even to dedicated algorithms for restricted probabilistic verification problems. We complement our empirical evaluation with a theoretical analysis, proving that our algorithm is sound and, under mildly restrictive conditions, also complete when using a suitable set of heuristics.
Heterogeneous Label Shift: Theory and Algorithm
Authors: Chao Xu; Xijia Tang; Chenping Hou
Venue: ICML 2025 (ICML 2025 poster)

Abstract: In open-environment applications, data are often collected from heterogeneous modalities with distinct encodings, resulting in feature space heterogeneity. This heterogeneity inherently induces label shift, making cross-modal knowledge transfer particularly challenging when the source and target data exhibit simultaneous heterogeneous feature spaces and shifted label distributions. Existing studies address only partial aspects of this issue, leaving the broader problem unresolved. To bridge this gap, we introduce a new concept of Heterogeneous Label Shift (HLS), targeting this critical but underexplored challenge. We first analyze the impact of heterogeneous feature spaces and label distribution shifts on model generalization and introduce a novel error decomposition theorem. Based on these insights, we propose a bound minimization HLS framework that decouples and tackles feature heterogeneity and label shift accordingly. Extensive experiments on various benchmarks for cross-modal classification validate the effectiveness and practical relevance of the proposed approach.