GenAI4ELab/papercli-papers huggingface dataset:
Finite-Time Convergence Rates in Stochastic Stackelberg Games with Smooth Algorithmic Agents
Authors: Eric Frankel; Kshitij Kulkarni; Dmitriy Drusvyatskiy; Sewoong Oh; Lillian J. Ratliff
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Decision-makers often adaptively influence downstream competitive agents' behavior to minimize their cost, yet in doing so face critical challenges:  $(i)$ decision-makers might not *a priori* know the agents' objectives; $(ii)$ agents might *learn* their responses, introducing stochasticity and non-stationarity into the decision-making process; and $(iii)$ there may be additional non-strategic environmental stochasticity. 
Characterizing convergence of this complex system is contingent on how the decision-maker controls for the tradeoff between the induced drift and additional noise from the learning agent behavior and environmental stochasticity. To understand how the learning agents' behavior is influenced by the decision-maker’s actions, we first consider a decision-maker that deploys an arbitrary sequence of actions which induces a sequence of games and corresponding equilibria.   We characterize how the drift and noise in the agents' stochastic algorithms decouples from their optimization error. Leveraging this decoupling and accompanying finite-time efficiency estimates, we design decision-maker algorithms that control the induced drift relative to the agent noise. This enables efficient finite-time tracking of game theoretic equilibrium concepts that adhere to the incentives of the players' collective learning processes.
Exploring Representations and Interventions in Time Series Foundation Models
Authors: Michał Wiliński; Mononito Goswami; Willa Potosnak; Nina Żukowska; Artur Dubrawski
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Time series foundation models (TSFMs) promise to be powerful tools for a wide range of applications. However, their internal representations and learned concepts are still not well understood. In this study, we investigate the structure and redundancy of representations across various TSFMs, examining the self-similarity of model layers within and across different model sizes. This analysis reveals block-like redundancy in the representations, which can be utilized for informed pruning to improve inference speed and efficiency. We also explore the concepts learned by these models, such as periodicity and trends. We demonstrate how conceptual priors can be derived from TSFM representations and leveraged to steer its outputs toward concept-informed predictions. Our work bridges representational analysis from language and vision models to TSFMs, offering new methods for building more computationally efficient and transparent TSFMs.
Enhancing Foundation Models for Time Series Forecasting via Wavelet-based Tokenization
Authors: Luca Masserano; Abdul Fatir Ansari; Boran Han; Xiyuan Zhang; Christos Faloutsos; Michael W. Mahoney; Andrew Gordon Wilson; Youngsuk Park; Syama Sundar Rangapuram; Danielle C. Maddix; Bernie Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: How to best develop foundational models for time series forecasting remains an important open question. Tokenization is a crucial consideration in this effort: what is an effective discrete vocabulary for a real-valued sequential input? To address this question, we develop WaveToken, a wavelet-based tokenizer that allows models to learn complex representations directly in the space of time-localized frequencies. Our method first scales and decomposes the input time series, then thresholds and quantizes the wavelet coefficients, and finally pre-trains an autoregressive model to forecast coefficients for the forecast horizon. By decomposing coarse and fine structures in the inputs, wavelets provide an eloquent and compact language for time series forecasting that simplifies learning. Empirical results on a comprehensive benchmark, including 42 datasets for both in-domain and zero-shot settings, show that WaveToken: i) performs on par or better than recently proposed foundation models for forecasting while using a much smaller vocabulary (1024 tokens), and is competitive with modern deep learning models trained specifically on each dataset; ii) exhibits superior generalization capabilities, achieving the best average rank across all datasets for three complementary metrics; and iii) easily captures complex temporal patterns of practical relevance that are challenging for other recent pre-trained models, including trends, sparse spikes, and non-stationary time series with varying frequencies evolving over time.
Multivariate Conformal Selection
Authors: Tian Bai; Yue Zhao; Xiang Yu; Archer Y. Yang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Selecting high-quality candidates from large datasets is critical in applications such as drug discovery, precision medicine, and alignment of large language models (LLMs). While Conformal Selection (CS) provides rigorous uncertainty quantification, it is limited to univariate responses and scalar criteria. To address this, we propose Multivariate Conformal Selection (mCS), a generalization of CS designed for multivariate response settings. Our method introduces regional monotonicity and employs multivariate nonconformity scores to construct conformal $p$-values, enabling finite-sample False Discovery Rate (FDR) control. We present two variants: $\texttt{mCS-dist}$, using distance-based scores, and $\texttt{mCS-learn}$, which learns optimal scores via differentiable optimization. Experiments on simulated and real-world datasets demonstrate that mCS significantly improves selection power while maintaining FDR control, establishing it as a robust framework for multivariate selection tasks.
On Temperature Scaling and Conformal Prediction of Deep Classifiers
Authors: Lahav Dabah; Tom Tirer
Venue: ICML 2025 (ICML 2025 poster)

Abstract: In many classification applications, the prediction of a deep neural network (DNN) based classifier needs to be accompanied by some confidence indication. Two popular approaches for that aim are: 1) *Calibration*: modifies the classifier's softmax values such that the maximal value better estimates the correctness probability; and 2) *Conformal Prediction* (CP): produces a prediction set of candidate labels that contains the true label with a user-specified probability, guaranteeing marginal coverage but not, e.g., per class coverage.  In practice, both types of indications are desirable, yet, so far the interplay between them has not been investigated. Focusing on the ubiquitous *Temperature Scaling* (TS) calibration, we start this paper with an extensive empirical study of its effect on prominent CP methods. We show that while TS calibration improves the class-conditional coverage of adaptive CP methods, surprisingly, it negatively affects their prediction set sizes. Motivated by this behavior, we explore the effect of TS on CP *beyond its calibration application* and reveal an intriguing trend under which it allows to trade prediction set size and conditional coverage of adaptive CP methods. Then, we establish a mathematical theory that explains the entire non-monotonic trend.
Finally, based on our experiments and theory, we offer guidelines for practitioners to effectively combine adaptive CP with calibration, aligned with user-defined goals.
The Double-Ellipsoid Geometry of CLIP
Authors: Meir Yossef Levi; Guy Gilboa
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Contrastive Language-Image Pre-Training (CLIP) is highly instrumental in machine learning applications within a large variety of domains. 
We investigate the geometry of this embedding, which is still not well understood, and show that text and image reside on linearly separable ellipsoid shells, not centered at the origin. We explain the benefits of having this structure, allowing to better embed instances according to their uncertainty during contrastive training.
Frequent concepts in the dataset yield more false negatives, inducing  greater uncertainty.
A new notion of conformity is introduced, which measures the average cosine similarity of an instance to any other instance within a representative data set. We show this measure can be accurately estimated by simply computing the cosine similarity to the modality mean vector. Furthermore, we find that CLIP's modality gap optimizes the matching of the conformity distributions of image and text.
Proposer-Agent-Evaluator (PAE): Autonomous Skill Discovery For Foundation Model Internet Agents
Authors: Yifei Zhou; Qianlan Yang; Kaixiang Lin; Min Bai; Xiong Zhou; Yu-Xiong Wang; Sergey Levine; Li Erran Li
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A generalist foundation model agent needs to have a large and diverse skill repertoire, such as finding directions between two travel locations and buying specific items from the Internet. If each skill needs to be specified manually through a fixed set of human-annotated instructions, the agent’s skill repertoire will necessarily be limited due to the scalability of human-annotated instructions. In this work, we address this challenge by proposing Proposer-Agent-Evaluator (PAE), an effective learning system that enables foundation model agents to autonomously discover and practice skills in the wild. After a context-aware task proposer generates instructions based on website information, the agent policy attempts those tasks in the real world with resulting trajectories evaluated by an autonomous VLM-based success evaluator. The success evaluation serves as the reward signal for the agent to refine its policies through RL. We validate PAE on challenging vision-based web navigation, using both real-world and selfhosted websites from WebVoyager and WebArena. Our results show that PAE significantly improves the zero-shot generalization capability of VLM Internet agents (around 50% relative improvement)
to both unseen tasks and websites.
PISA Experiments: Exploring Physics Post-Training for Video Diffusion Models by Watching Stuff Drop
Authors: Chenyu Li; Oscar Michel; Xichen Pan; Sainan Liu; Mike Roberts; Saining Xie
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Large-scale pre-trained video generation models excel in content creation but are not reliable as physically accurate world simulators out of the box. This work studies the process of post-training these models for accurate world modeling through the lens of the simple, yet fundamental, physics task of modeling object freefall. We show state-of-the-art video generation models struggle with this basic task, despite their visually impressive outputs. To remedy this problem, we find that fine-tuning on a relatively small amount of simulated videos is effective in inducing the dropping behavior in the model, and we can further improve results through a novel reward modeling procedure we introduce. Our study also reveals key limitations of post-training in generalization and distribution modeling. Additionally, we release a benchmark for this task that may serve as a useful diagnostic tool for tracking physical accuracy in large-scale video generative model development. Code is available at this repository: https://github.com/vision-x-nyu/pisa-experiments.
Ladder-Residual: Parallelism-Aware Architecture for Accelerating Large Model Inference with Communication Overlapping
Authors: Muru Zhang; Mayank Mishra; Zhongzhu Zhou; William Brandon; Jue WANG; Yoon Kim; Jonathan Ragan-Kelley; Shuaiwen Leon Song; Ben Athiwaratkun; Tri Dao
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Large language model inference is both memory-intensive and time-consuming, often requiring distributed algorithms to efficiently scale. Various model parallelism strategies are used in multi-gpu training and inference to partition computation across multiple devices, reducing memory load and computation time. However, using model parallelism necessitates communication of information between GPUs, which has been a major bottleneck and limits the gains obtained by scaling up the number of devices. We introduce Ladder Residual, a simple architectural modification applicable to all residual-based models that enables straightforward overlapping that effectively hides the latency of communication. **Our insight is that in addition to systems optimization, one can also redesign the model architecture to decouple communication from computation.** While Ladder Residual can allow communication-computation decoupling in conventional parallelism patterns, we focus on Tensor Parallelism in this paper, which is particularly bottlenecked by its heavy communication. For a Transformer model with 70B parameters, applying Ladder Residual to all its layers can achieve 29% end-to-end wall clock speed up at inference time with TP sharding over 8 devices. We refer the resulting Transformer model as the Ladder Transformer. We train a 1B and 3B Ladder Transformer from scratch and observe comparable performance to a standard dense transformer baseline. We also show that it is possible to convert parts of the Llama-3.1 8B model to our Ladder Residual architecture with minimal accuracy degradation by only retraining for 3B tokens.
Context-Informed Neural ODEs Unexpectedly Identify Broken Symmetries: Insights from the Poincaré–Hopf Theorem
Authors: In Huh; changwook jeong; Muhammad Alam
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Out-Of-Domain (OOD) generalization is a significant challenge in learning dynamical systems, especially when they exhibit bifurcation, a sudden topological transition triggered by a model parameter crossing a critical threshold. A prevailing belief is that machine learning models, unless equipped with strong priors, struggle to generalize across bifurcations due to the abrupt changes in data characteristics. Contrary to this belief, we demonstrate that context-dependent Neural Ordinary Differential Equations (NODEs), trained solely on localized, pre-bifurcation, symmetric data and without physics-based priors, can still identify post-bifurcation, symmetry-breaking behaviors, even in a zero-shot manner. We interpret this capability to the model's implicit utilization of topological invariants, particularly the Poincaré index, and offer a formal explanation based on the Poincaré–Hopf theorem. We derive the conditions under which NODEs can recover—or erroneously hallucinate—broken symmetries without explicit training. Building on this insight, we showcase a topological regularizer inspired by the Poincaré–Hopf theorem and validate it empirically on phase transitions of systems described by the Landau–Khalatnikov equation.
CtrlSynth: Controllable Image Text Synthesis for Data-Efficient Multimodal Learning
Authors: Qingqing Cao; Mahyar Najibi; Sachin Mehta
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Pretraining robust vision or multimodal foundation models (e.g., CLIP) relies on large-scale datasets that may be noisy, potentially misaligned, and have long-tail distributions. Previous works have shown promising results in augmenting datasets by generating synthetic samples. However, they only support domain-specific ad hoc use cases (e.g., either image or text only, but not both), and are limited in data diversity due to a lack of fine-grained control over the synthesis process. In this paper, we design a controllable image-text synthesis pipeline, CtrlSynth, for data-efficient and robust multimodal learning. The key idea is to decompose the visual semantics of an image into basic elements, apply user-specified control policies (e.g., remove, add, or replace operations), and recompose them to synthesize images or texts. The decompose and recompose feature in CtrlSynth allows users to control data synthesis in a fine-grained manner by defining customized control policies to manipulate the basic elements. CtrlSynth leverages the capabilities of pretrained foundation models such as large language models or diffusion models to reason and recompose basic elements such that synthetic samples are natural and composed in diverse ways. CtrlSynth is a closed-loop, training-free, and modular framework, making it easy to support different pretrained models. With extensive experiments on 31 datasets spanning different vision and vision-language tasks, we show that CtrlSynth substantially improves zero-shot classification, image-text retrieval, and compositional reasoning performance of CLIP models.
Near-Optimal Decision Trees in a SPLIT Second
Authors: Varun Babbar; Hayden McTavish; Cynthia Rudin; Margo Seltzer
Venue: ICML 2025 (ICML 2025 oral)

Abstract: Decision tree optimization is fundamental to interpretable machine learning. The most popular approach is to greedily search for the best feature at every decision point, which is fast but provably suboptimal. Recent approaches find the global optimum using branch and bound with dynamic programming, showing substantial improvements in accuracy and sparsity at great cost to scalability. An ideal solution would have the accuracy of an optimal method and the scalability of a greedy method. We introduce a family of algorithms called SPLIT (SParse Lookahead for Interpretable Trees) that moves us significantly forward in achieving this ideal balance. We demonstrate that not all sub-problems need to be solved to optimality to find high quality trees; greediness suffices near the leaves. Since each depth adds an exponential number of possible trees, this change makes our algorithms orders of magnitude faster than existing optimal methods, with negligible loss in performance. We extend this algorithm to allow scalable computation of sets of near-optimal trees (i.e., the Rashomon set).
Boosting Masked ECG-Text Auto-Encoders as Discriminative Learners
Authors: Manh Pham Hung; Aaqib Saeed; Dong Ma
Venue: ICML 2025 (ICML 2025 poster)

Abstract: The accurate interpretation of Electrocardiogram (ECG) signals is pivotal for diagnosing cardiovascular diseases. Integrating ECG signals with accompanying textual reports further holds immense potential to enhance clinical diagnostics by combining physiological data and qualitative insights. However, this integration faces significant challenges due to inherent modality disparities and the scarcity of labeled data for robust cross-modal learning. To address these obstacles, we propose D-BETA, a novel framework that pre-trains ECG and text data using a contrastive masked auto-encoder architecture, uniquely combining generative and boosted discriminative capabilities for robust cross-modal representations. This is accomplished through masked modality modeling, specialized loss functions, and an improved negative sampling strategy tailored for cross-modal alignment. Extensive experiments on five public datasets across diverse downstream tasks demonstrate that D-BETA significantly outperforms existing methods, achieving an average AUC improvement of 15% in linear probing with only one percent of training data and 2% in zero-shot performance without requiring training data over state-of-the-art models. These results highlight the effectiveness of D-BETA, underscoring its potential to advance automated clinical diagnostics through multi-modal representations.
Demystifying Long Chain-of-Thought Reasoning
Authors: Shiming Yang; Yuxuan Tong; Xinyao Niu; Graham Neubig; Xiang Yue
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Scaling inference compute has become a key driver of advanced reasoning in large language models (LLMs). A proven approach for scaling inference compute is to generate long chains-of-thought (CoTs), enabling models to engage in structured reasoning strategies such as backtracking and error correction. Reinforcement learning (RL) has emerged as a crucial method for developing these capabilities, yet the conditions under which long CoTs emerge remain unclear, and RL training requires careful design choices. In this study, we systematically investigate the underlying *mechanics of long CoT reasoning*—examining the factors that enable models to generate extended reasoning trajectories. Through extensive supervised fine-tuning (SFT) and RL experiments, we identify three key findings: 1) while SFT is not strictly necessary, it significantly simplifies training and improves efficiency; 2) reasoning capabilities tend to emerge with increased training compute but are not guaranteed, making reward shaping essential for stabilizing CoT length growth; and 3) scaling verifiable reward signals is critical for RL, and we find that leveraging noisy, web-extracted solutions with filtering mechanisms shows promising potential, particularly in out-of-distribution (OOD) reasoning tasks such as STEM problem-solving. These insights provide practical guidance for optimizing training strategies to enhance long CoT reasoning in LLMs.
LGDM: Latent Guidance in Diffusion Models for Perceptual Evaluations
Authors: Shreshth Saini; Ru-Ling Liao; Yan Ye; Alan Bovik
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Despite recent advancements in latent diffusion models that generate high-dimensional image data and perform various downstream tasks, there has been little exploration into perceptual consistency within these models on the task of No-Reference Image Quality Assessment (NR-IQA). In this paper, we hypothesize that latent diffusion models implicitly exhibit perceptually consistent local regions within the data manifold. We leverage this insight to guide on-manifold sampling using perceptual features and input measurements. Specifically, we propose Perceptual Manifold Guidance (PMG), an algorithm that utilizes pretrained latent diffusion models and perceptual quality features to obtain perceptually consistent multi-scale and multi-timestep feature maps from the denoising U-Net. We empirically demonstrate that these hyperfeatures exhibit high correlation with human perception in IQA tasks. Our method can be applied to any existing pretrained latent diffusion model and is straightforward to integrate. To the best of our knowledge, this paper is the first work on guiding diffusion model with perceptual features for NR-IQA. Extensive experiments on IQA datasets show that our method, LGDM, achieves state-of-the-art performance, underscoring the superior generalization capabilities of diffusion models for NR-IQA tasks.
Robust Conformal Outlier Detection under Contaminated Reference Data
Authors: Meshi Bashari; Matteo Sesia; Yaniv Romano
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Conformal prediction is a flexible framework for calibrating machine learning predictions, providing distribution-free statistical guarantees. In outlier detection, this calibration relies on a reference set of labeled inlier data to control the type-I error rate. However, obtaining a perfectly labeled inlier reference set is often unrealistic, and a more practical scenario involves access to a contaminated reference set containing a small fraction of outliers. This paper analyzes the impact of such contamination on the validity of conformal methods. We prove that under realistic, non-adversarial settings, calibration on contaminated data yields conservative type-I error control, shedding light on the inherent robustness of conformal methods. This conservativeness, however, typically results in a loss of power. To alleviate this limitation, we propose a novel, active data-cleaning framework that leverages a limited labeling budget and an outlier detection model to selectively annotate data points in the contaminated reference set that are suspected as outliers. By removing only the annotated outliers in this ``suspicious'' subset, we can effectively enhance power while mitigating the risk of inflating the type-I error rate, as supported by our theoretical analysis. Experiments on real datasets validate the conservative behavior of conformal methods under contamination and show that the proposed data-cleaning strategy improves power without sacrificing validity.