GenAI4ELab/papercli-papers huggingface dataset:
Does Data Scaling Lead to Visual Compositional Generalization?
Authors: Arnas Uselis; Andrea Dittadi; Seong Joon Oh
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Compositional understanding is crucial for human intelligence, yet it remains unclear whether contemporary vision models exhibit it. The dominant machine learning paradigm is built on the premise that scaling data and model sizes will improve out-of-distribution performance, including compositional generalization. We test this premise through controlled experiments that systematically vary data scale, concept diversity, and combination coverage. We find that compositional generalization is driven by data diversity, not mere data scale. Increased combinatorial coverage forces models to discover a linearly factored representational structure, where concepts decompose into additive components. We prove this structure is key to efficiency, enabling perfect generalization from few observed combinations. Evaluating pretrained models (DINO, CLIP), we find above-random yet imperfect performance, suggesting partial presence of this structure. Our work motivates stronger emphasis on constructing diverse datasets for compositional generalization, and considering the importance of representational structure that enables efficient compositional learning.
NEAR: Neural Electromagnetic Array Response
Authors: Yinyan Bu; Jiajie Yu; Kai Zheng; Xinyu Zhang; Piya Pal
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We address the challenge of achieving angular super-resolution in multi-antenna radar systems that are widely used for localization, navigation, and automotive perception. A multi-antenna radar achieves very high resolution by computationally creating a large virtual sensing system using very few physical antennas. However, practical constraints imposed by hardware, noise, and a limited number of antennas can impede its performance. Conventional supervised learning models that rely on extensive pre-training with large datasets, often exhibit poor generalization in unseen environments. To overcome these limitations, we propose NEAR, an untrained implicit neural representation (INR) framework that predicts radar responses at unseen locations from sparse measurements, by leveraging latent harmonic structures inherent in radar wave propagation. We establish new theoretical results linking antenna array response to expressive power of INR architectures, and develop a novel physics-informed and latent geometry-aware regularizer. Our approach integrates classical signal representation with modern implicit neural learning, enabling high-resolution radar sensing that is both interpretable and generalizable. Extensive simulations and real-world experiments using radar platforms demonstrate NEAR's effectiveness and its ability to adapt to unseen environments.
Dynamical phases of short-term memory mechanisms in RNNs
Authors: Bariscan Kurtkaya; Fatih Dinc; Mert Yuksekgonul; Marta Blanco-Pozo; Ege Cirakman; Mark Schnitzer; Yucel Yemez; Hidenori Tanaka; Peng Yuan; Nina Miolane
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Short-term memory is essential for cognitive processing, yet our understanding of its neural mechanisms remains unclear. Neuroscience has long focused on how sequential activity patterns, where neurons fire one after another within large networks, can explain how information is maintained. While recurrent connections were shown to drive sequential dynamics, a mechanistic understanding of this process still remains unknown. In this work, we introduce two unique mechanisms that can support this form of short-term memory: slow-point manifolds generating direct sequences or limit cycles providing temporally localized approximations. Using analytical models, we identify fundamental properties that govern the selection of each mechanism. Precisely, on short-term memory tasks (delayed cue-discrimination tasks), we derive theoretical scaling laws for critical learning rates as a function of the delay period length, beyond which no learning is possible. We empirically verify these results by training and evaluating approximately 80,000 recurrent neural networks (RNNs), which are publicly available for further analysis. Overall, our work provides new insights into short-term memory mechanisms and proposes experimentally testable predictions for systems neuroscience.
Improved Approximations for Hard Graph Problems using Predictions
Authors: Anders Aamand; Justin Y. Chen; Siddharth Gollapudi; Sandeep Silwal; Hao WU
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We design improved approximation algorithms for NP-hard graph problems by incorporating predictions (e.g., learned from past data). Our prediction model builds upon and extends the $\varepsilon$-prediction framework by Cohen-Addad, d'Orsi, Gupta, Lee, and Panigrahi (NeurIPS 2024).  We consider an edge-based version of this model, where each edge provides two bits of information, corresponding to predictions about whether each of its endpoints belong to an optimal solution. Even with weak predictions where each bit is only $\varepsilon$-correlated with the true solution, this information allows us to break approximation barriers in the standard setting. We develop algorithms with improved approximation ratios for MaxCut, Vertex Cover, Set Cover, and Maximum Independent Set problems (among others). Across these problems, our algorithms share a unifying theme, where we separately satisfy constraints related to high degree vertices (using predictions) and low-degree vertices (without using predictions) and carefully combine the answers.
Why Has Predicting Downstream Capabilities of Frontier AI Models with Scale Remained Elusive?
Authors: Rylan Schaeffer; Hailey Schoelkopf; Brando Miranda; Gabriel Mukobi; Varun Madan; Adam Ibrahim; Herbie Bradley; Stella Biderman; Sanmi Koyejo
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Predictable behavior from scaling advanced AI systems is an extremely desirable property for engineers, companies, economists and governments alike, and while a well-established literature exists on how pretraining performance scales, predictable scaling behavior on downstream capabilities remains elusive. While many factors are certainly responsible, this paper shines a light on a significant factor that makes predicting scaling behavior on widely used multiple-choice question answering benchmarks challenging and illuminates a path towards making such downstream evaluations predictable with scale. Using five model families and twelve well-established multiple-choice benchmarks, we show that downstream performance is computed from negative log likelihoods via a sequence of transformations that progressively degrades the statistical relationship between performance and scale. We then reveal the mechanism causing this degradation: downstream metrics require comparing the correct choice against a small number of specific incorrect choices, meaning accurately predicting downstream capabilities requires predicting not just how probability mass concentrates on the correct choice with scale, but also how probability mass fluctuates on specific incorrect choices with scale. We empirically study how probability mass on the correct choice co-varies with probability mass on incorrect choices with increasing compute, suggesting that scaling laws for \textit{incorrect} choices might be achievable. Our work also explains why pretraining scaling laws are commonly regarded as more predictable than downstream capabilities and contributes towards establishing scaling-predictable evaluations of frontier AI models.
Nearly Optimal Algorithms for Contextual Dueling Bandits from Adversarial Feedback
Authors: Qiwei Di; Jiafan He; Quanquan Gu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Learning from human feedback plays an important role in aligning generative models, such as large language models (LLM). However, the effectiveness of this approach can be influenced by adversaries, who may intentionally provide misleading preferences to manipulate the output in an undesirable or harmful direction.
To tackle this challenge, we study a specific model within this problem domain--contextual dueling bandits with adversarial feedback, where the true preference label can be flipped by an adversary. We propose an algorithm namely robust contextual dueling bandits ($\texttt{RCDB}$), which is based on uncertainty-weighted maximum likelihood estimation.  Our algorithm achieves an $\tilde O(d\sqrt{T}/\kappa+dC/\kappa)$ regret bound, where $T$ is the number of rounds, $d$ is the dimension of the context, $\kappa$ is the lower bound of the derivative of the link function, and $  0 \le C \le T$ is the total number of adversarial feedback. 
We also prove a lower bound to show that our regret bound is nearly optimal, both in scenarios with and without ($C=0$) adversarial feedback. Our work is the first to achieve nearly minimax optimal regret for dueling bandits in the presence of adversarial preference feedback. 
Additionally, for the sigmoid link function, we develop a novel algorithm that takes into account the effect of local derivatives into maximum likelihood estimation (MLE) analysis through a refined method for estimating the link function's derivative. This method helps us to eliminate the $\kappa$ dependence in the leading term with respect to $T$, which reduces the exponential dependence on the parameter radius $B$ to a polynomial dependence. We conduct experiments to evaluate our proposed algorithm $\texttt{RCDB}$ against various types of adversarial feedback. Experimental results demonstrate its superiority over the state-of-the-art dueling bandit algorithms in the presence of adversarial feedback.
Contradiction Retrieval via Contrastive Learning with Sparsity
Authors: Haike Xu; Zongyu Lin; Kai-Wei Chang; Yizhou Sun; Piotr Indyk
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Contradiction retrieval refers to identifying and extracting documents that explicitly disagree with or refute the content of a query, which is important to many downstream applications like fact checking and data cleaning. To retrieve contradiction argument to the query from large document corpora, existing methods such as similarity search and cross-encoder models exhibit different limitations.
To address these challenges, we introduce a novel approach: SparseCL that leverages specially trained sentence embeddings designed to preserve subtle, contradictory nuances between sentences. Our method utilizes a combined metric of cosine similarity and a sparsity function to efficiently identify and retrieve documents that contradict a given query. This approach dramatically enhances the speed of contradiction detection by reducing the need for exhaustive document comparisons to simple vector calculations. 
We conduct contradiction retrieval experiments on Arguana, MSMARCO, and HotpotQA, where our method produces an average improvement of $11.0\%$ across different models. We also validate our method on downstream tasks like natural language inference and cleaning corrupted corpora.
This paper outlines a promising direction for non-similarity-based information retrieval which is currently underexplored.
Sounding that Object: Interactive Object-Aware Image to Audio Generation
Authors: Tingle Li; Baihe Huang; Xiaobin Zhuang; Dongya Jia; Jiawei Chen; Yuping Wang; Zhuo Chen; Gopala Anumanchipalli; Yuxuan Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Generating accurate sounds for complex audio-visual scenes is challenging, especially in the presence of multiple objects and sound sources. In this paper, we propose an interactive object-aware audio generation model that grounds sound generation in user-selected visual objects within images. Our method integrates object-centric learning into a conditional latent diffusion model, which learns to associate image regions with their corresponding sounds through multi-modal attention. At test time, our model employs image segmentation to allow users to interactively generate sounds at the object level. We theoretically validate that our attention mechanism functionally approximates test-time segmentation masks, ensuring the generated audio aligns with selected objects. Quantitative and qualitative evaluations show that our model outperforms baselines, achieving better alignment between objects and their associated sounds.
Correlation Clustering Beyond the Pivot Algorithm
Authors: Soheil Behnezhad; Moses Charikar; Vincent Cohen-Addad; Alma Ghafari; Weiyun ma
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We study the classic correlation clustering problem. Given $n$ objects and a complete labeling of the object-pairs as either “similar” or “dissimilar”, the goal is to partition the objects into
arbitrarily many clusters while minimizing disagreements with 
the labels.

A classic Pivot algorithm for this problem, due to [Ailon et al STOC'05], obtains a 3-approximation for this problem. Over the years, this algorithm has been successfully implemented in various settings. The downside of the Pivot algorithm is that the approximation analysis of 3 is tight for it. While better approximations have been achieved in some settings, these algorithms are often hard to implement in various settings. For example, [Behnezhad et al FOCS19] showed that the output of Pivot can be maintained in polylog time per update in a dynamic setting, a bound that was improved to constant by [Dalirrooyfard et al ICML'24]. But obtaining a better approximation remains open.

In this paper, we present Modified Pivot, an algorithm that locally improves the output of Pivot. Our Modified Pivot algorithm can be implemented just as efficiently as Pivot in various settings. Our experiments show that the output of Modified Pivot on average makes less than 77\% of the mistakes made by Pivot. More surprisingly, we prove theoretically that Modified Pivot has approximation ratio $3-\epsilon_0$ for some absolute constant $\epsilon_0 > 0$. This, e.g., leads to a better than 3 approximation in the dynamic setting in polylog time, improving the 3-approximation obtained by [Behnezhad et al FOCS'19] and [Dalirrooyfard et al ICML'24].
Test-time Correlation Alignment
Authors: Linjing You; Jiabao Lu; Xiayuan Huang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Deep neural networks often degrade under distribution shifts. Although domain adaptation offers a solution, privacy constraints often prevent access to source data, making Test-Time Adaptation (TTA)—which adapts using only unlabeled test data—increasingly attractive. However, current TTA methods still face practical challenges: (1) a primary focus on instance-wise alignment, overlooking CORrelation ALignment (CORAL) due to missing source correlations; (2) complex backpropagation operations for model updating, resulting in overhead computation and (3) domain forgetting. To address these challenges, we provide a theoretical analysis to investigate the feasibility of **T**est-time **C**orrelation **A**lignment (**TCA**), demonstrating that correlation alignment between high-certainty instances and test instances can enhance test performances with a theoretical guarantee. Based on this, we propose two simple yet effective algorithms: LinearTCA and LinearTCA+. LinearTCA applies a simple linear transformation to achieve both instance and correlation alignment without additional model updates, while LinearTCA+ serves as a plug-and-play module that can easily boost existing TTA methods. Extensive experiments validate our theoretical insights and show that TCA methods significantly outperforms baselines across various tasks, benchmarks and backbones. Notably, LinearTCA achieves higher accuracy with only 4\% GPU memory and 0.6\% computation time compared to the best TTA baseline. It also outperforms existing methods on CLIP over 1.86\%. Code: https://github.com/youlj109/TCA
BalancEdit: Dynamically Balancing the Generality-Locality Trade-off in Multi-modal Model Editing
Authors: Dongliang Guo; Mengxuan Hu; Zihan Guan; Thomas Hartvigsen; Sheng Li
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Large multi-modal models inevitably decay over time as facts update and previously learned information becomes outdated. Traditional approaches such as fine-tuning are often impractical for updating these models due to their size and complexity. Instead, direct knowledge editing within the models presents a more viable solution. Current model editing techniques, however, typically overlook the unique influence ranges of different facts, leading to compromised model performance in terms of both generality and locality. To address this issue, we introduce the concept of the generality-locality trade-off in multi-modal model editing. We develop a new model editing dataset named OKEDIT, specifically designed to effectively evaluate this trade-off. Building on this foundation, we propose \textbf{BalancEdit}, a novel method for balanced model editing that dynamically achieves an optimal balance between generality and locality. BalancEdit utilizes a unique mechanism that generates both positive and negative samples for each fact to accurately determine its influence scope and incorporates these insights into the model's latent space using a discrete, localized codebook of edits, without modifying the underlying model weights. To our knowledge, this is the first approach explicitly addressing the generality-locality trade-off in multi-modal model editing. Our comprehensive results confirm the effectiveness of BalancEdit, demonstrating minimal trade-offs while maintaining robust editing capabilities. Our code and dataset are available at https://github.com/donglgcn/BalancEdit/tree/MMOKVQA.
DyCodeEval: Dynamic Benchmarking of Reasoning Capabilities in Code Large Language Models Under Data Contamination
Authors: Simin Chen; Pranav Pusarla; Baishakhi Ray
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The rapid advancement of code large language models (Code LLMs) underscores the critical need for effective and transparent benchmarking methods. However, current benchmarking predominantly relies on publicly available, human-created datasets. The widespread use of these static benchmark datasets makes the evaluation process particularly susceptible to data contamination—an unavoidable consequence of the extensive data collection processes employed during LLM training. Existing methods for addressing data contamination typically face significant limitations, including reliance on substantial human effort and difficulty in managing class imbalances. To overcome these challenges, we propose DyCodeEval, a novel benchmarking suite specifically designed to evaluate Code LLMs under realistic contamination scenarios. Given an initial seed programming problem, DyCodeEval utilizes multiple agents to systematically extract and modify contextual information without changing the core logic, generating semantically equivalent variations. We introduce a dynamic data generation method and conduct extensive empirical studies on two seed datasets involving 18 Code LLMs. The results demonstrate that DyCodeEval effectively assesses the reasoning capabilities of Code LLMs under contamination conditions while producing diverse problem variants, thereby ensuring robust and consistent benchmarking outcomes.
ResKoopNet: Learning Koopman Representations for Complex Dynamics with Spectral Residuals
Authors: Yuanchao Xu; Kaidi Shao; Nikos K. Logothetis; Zhongwei Shen
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Analyzing the long-term behavior of high-dimensional nonlinear dynamical systems remains a significant challenge. While the Koopman operator framework provides a powerful global linearization tool, current methods for approximating its spectral components often face theoretical limitations and depend on predefined dictionaries. Residual Dynamic Mode Decomposition (ResDMD) advanced the field by introducing the \emph{spectral residual} to assess Koopman operator approximation accuracy; however, its approach of only filtering precomputed spectra prevents the discovery of the operator's complete spectral information, a limitation known as the `spectral inclusion' problem. We introduce ResKoopNet (Residual-based Koopman-learning Network), a novel method that directly addresses this by explicitly minimizing the \emph{spectral residual} to compute Koopman eigenpairs. This enables the identification of a more precise and complete Koopman operator spectrum. Using neural networks, our approach provides theoretical guarantees while maintaining computational adaptability. Experiments on a variety of physical and biological systems show that ResKoopNet achieves more accurate spectral approximations than existing methods, particularly for high-dimensional systems and those with continuous spectra, which demonstrates its effectiveness as a tool for analyzing complex dynamical systems.
Compositional Flows for 3D Molecule and Synthesis Pathway Co-design
Authors: Tony Shen; Seonghwan Seo; Ross Irwin; Kieran Didi; Simon Olsson; Woo Youn Kim; Martin Ester
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features.
Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow matching to generate objects in compositional steps while modeling continuous states. 
Our key insight is that modeling compositional state transitions can be formulated as a straightforward extension of the flow matching interpolation process.
We further build upon the theoretical foundations of generative flow networks (GFlowNets), enabling reward-guided sampling of compositional structures. 
We apply CGFlow to synthesizable drug design by jointly designing the molecule's synthetic pathway with its 3D binding pose.
Our approach achieves state-of-the-art binding affinity and synthesizability on all 15 targets from the LIT-PCBA benchmark, and 4.2x improvement in sampling efficiency compared to 2D synthesis-based baseline.
To our best knowledge, our method is also the first to achieve state of-art-performance in both Vina Dock (-9.42) and AiZynth success rate (36.1\%) on the CrossDocked2020 benchmark.
Aligning Protein Conformation Ensemble Generation with Physical Feedback
Authors: Jiarui Lu; Xiaoyin Chen; Stephen Zhewen Lu; Aurelie Lozano; Vijil Chenthamarakshan; Payel Das; Jian Tang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative modeling, particularly denoising diffusion models, have enabled efficient accurate protein structure prediction and conformation sampling by learning distributions over crystallographic structures. However, effectively integrating physical supervision into these data-driven approaches remains challenging, as standard energy-based objectives often lead to intractable optimization. In this paper, we introduce Energy-based Alignment (EBA), a method that aligns generative models with feedback from physical models, efficiently calibrating them to appropriately balance conformational states based on their energy differences. Experimental results on the MD ensemble benchmark demonstrate that EBA achieves state-of-the-art performance in generating high-quality protein ensembles. By improving the physical plausibility of generated structures, our approach enhances model predictions and holds promise for applications in structural biology and drug discovery.