OpenRaiser/Intern-Atlas huggingface dataset:
Cross-regularization: Adaptive Model Complexity through Validation Gradients
Venue: Conference ICML 2025
Year: 2025

Model regularization requires extensive manual tuning to balance complexity against overfitting. Cross-regularization resolves this tradeoff by directly adapting regularization parameters through validation gradients during training. The method splits parameter optimization - training data guides feature learning while validation data shapes complexity controls - converging provably to cross-validation optima. When implemented through noise injection in neural networks, this approach reveals striking patterns: unexpectedly high noise tolerance and architecture-specific regularization that emerges organically during training. Beyond complexity control, the framework integrates seamlessly with data augmentation, uncertainty calibration and growing datasets while maintaining single-run efficiency through a simple gradient-based approach.
The Limits of Tractable Marginalization
Venue: Conference ICML 2025
Year: 2025

Marginalization -- summing a function over all assignments to a subset of its inputs -- is a fundamental computational problem with applications from probabilistic inference to formal verification. Despite its computational hardness in general, there exist many classes of functions (e.g., probabilistic models) for which marginalization remains tractable, and they can be commonly expressed by polynomial size arithmetic circuits computing multilinear polynomials. This raises the question, can all functions with polynomial time marginalization algorithms be succinctly expressed by such circuits? We give a negative answer, exhibiting simple functions with tractable marginalization yet no efficient representation by known models, assuming $\textsf{FP}\neq\#\textsf{P}$ (an assumption implied by $\textsf{P} \neq \textsf{NP}$). To this end, we identify a hierarchy of complexity classes corresponding to stronger forms of marginalization, all of which are efficiently computable on the known circuit models. We conclude with a completeness result, showing that whenever there is an efficient real RAM performing virtual evidence marginalization for a function, then there are small circuits for that function's multilinear representation.
Robust Noise Attenuation via Adaptive Pooling of Transformer Outputs
Venue: Conference ICML 2025
Year: 2025

We investigate the design of pooling methods used to summarize the outputs of transformer embedding models, primarily motivated by reinforcement learning and vision applications. This work considers problems where a subset of the input vectors contains requisite information for a downstream task (signal) while the rest are distractors (noise). By framing pooling as vector quantization with the goal of minimizing signal loss, we demonstrate that the standard methods used to aggregate transformer outputs, AvgPool, MaxPool, and ClsToken, are vulnerable to performance collapse as the signal-to-noise ratio (SNR) of inputs fluctuates. We then show that an attention-based adaptive pooling method can approximate the signal-optimal vector quantizer within derived error bounds for any SNR. Our theoretical results are first validated by supervised experiments on a synthetic dataset designed to isolate the SNR problem, then generalized to standard relational reasoning, multi-agent reinforcement learning, and vision benchmarks with noisy observations, where transformers with adaptive pooling display superior robustness across tasks.
Generating Hypotheses of Dynamic Causal Graphs in Neuroscience: Leveraging Generative Factor Models of Observed Time Series
Venue: Conference ICML 2025
Year: 2025

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from complex datasets, but many approaches assume causal relationships are static over time, limiting their applicability to systems with dynamic, state-dependent behavior, such as the brain. While some techniques attempt dynamic causal discovery through factor models, they often restrict relationships to linear patterns or impose other simplifying assumptions. We propose a novel method that models dynamic graphs as a conditionally weighted superposition of static graphs, where each static graph can capture nonlinear relationships. This approach enables the detection of complex, time-varying interactions between variables beyond linear limitations. Our method improves f1-scores of predicted dynamic causal patterns by roughly 22-28% on average over baselines in some of our experiments, with some improvements reaching well over 60%. A case study on real brain data demonstrates our method's ability to uncover relationships linked to specific behavioral states, offering valuable insights into neural dynamics.
Provable In-Context Vector Arithmetic via Retrieving Task Concepts
Venue: Conference ICML 2025
Year: 2025

In-context learning (ICL) has garnered significant attention for its ability to grasp functions/tasks from demonstrations. Recent studies suggest the presence of a latent task/function vector in LLMs during ICL. Merullo et al. (2024) showed that LLMs leverage this vector alongside the residual stream for Word2Vec-like vector arithmetic, solving factual-recall ICL tasks. Additionally, recent work empirically highlighted the key role of Question-Answer data in enhancing factual-recall capabilities. Despite these insights, a theoretical explanation remains elusive. To move one step forward, we propose a theoretical framework building on empirically grounded hierarchical concept modeling. We develop an optimization theory, showing how nonlinear residual transformers trained via gradient descent on cross-entropy loss perform factual-recall ICL tasks via vector arithmetic. We prove 0-1 loss convergence and show the strong generalization, including robustness to concept recombination and distribution shifts. These results elucidate the advantages of transformers over static embedding predecessors. Empirical simulations corroborate our theoretical insights.
What Limits Virtual Agent Application? OmniBench: A Scalable Multi-Dimensional Benchmark for Essential Virtual Agent Capabilities
Venue: Conference ICML 2025
Year: 2025

As multimodal large language models (MLLMs) advance, MLLM-based virtual agents have demonstrated remarkable performance. However, existing benchmarks face significant limitations, including uncontrollable task complexity, extensive manual annotation with limited scenarios, and a lack of multidimensional evaluation. In response to these challenges, we introduce OmniBench, a self-generating, cross-platform, graph-based benchmark with an automated pipeline for synthesizing tasks of controllable complexity through subtask composition. To evaluate the diverse capabilities of virtual agents on the graph, we further present OmniEval, a multidimensional evaluation framework that includes subtask-level evaluation, graph-based metrics, and comprehensive tests across 10 capabilities. Our synthesized dataset contains 36k graph-structured tasks across 20 scenarios, achieving a 91\% human acceptance rate. Training on our graph-structured data shows that it can more efficiently guide agents compared to manually annotated data. We conduct multidimensional evaluations for various open-source and closed-source models, revealing their performance across various capabilities and paving the way for future advancements. Our project is available at https://omni-bench.github.io/.
ProDiff: Prototype-Guided Diffusion for Minimal Information Trajectory Imputation
Venue: Conference ICML 2025
Year: 2025

Trajectory data is crucial for various applications but often suffers from incompleteness due to device limitations and diverse collection scenarios. Existing imputation methods rely on sparse trajectory or travel information, such as velocity, to infer missing points. However, these approaches assume that sparse trajectories retain essential behavioral patterns, which place significant demands on data acquisition and overlook the potential of large-scale human trajectory embeddings. To address this, we propose ProDiff, a trajectory imputation framework that uses only two endpoints as minimal information. It integrates prototype learning to embed human movement patterns and a denoising diffusion probabilistic model for robust spatiotemporal reconstruction. Joint training with a tailored loss function ensures effective imputation. ProDiff outperforms state-of-the-art methods, improving accuracy by 6.28\% on FourSquare and 2.52\% on WuXi. Further analysis shows a 0.927 correlation between generated and real trajectories, demonstrating the effectiveness of our approach.
Learning Along the Arrow of Time: Hyperbolic Geometry for Backward-Compatible Representation Learning
Venue: Conference ICML 2025
Year: 2025

Backward compatible representation learning enables updated models to integrate seamlessly with existing ones, avoiding to reprocess stored data. Despite recent advances, existing compatibility approaches in Euclidean space neglect the uncertainty in the old embedding model and force the new model to reconstruct outdated representations regardless of their quality, thereby hindering the learning process of the new model. In this paper, we propose to switch perspectives to hyperbolic geometry, where we treat time as a natural axis for capturing a model's confidence and evolution. By lifting embeddings into hyperbolic space and constraining updated embeddings to lie within the entailment cone of the old ones, we maintain generational consistency across models while accounting for uncertainties in the representations. To further enhance compatibility, we introduce a robust contrastive alignment loss that dynamically adjusts alignment weights based on the uncertainty of the old embeddings. Experiments validate the superiority of the proposed method in achieving compatibility, paving the way for more resilient and adaptable machine learning systems.
O-MAPL: Offline Multi-agent Preference Learning
Venue: Conference ICML 2025
Year: 2025

Inferring reward functions from demonstrations is a key challenge in reinforcement learning (RL), particularly in multi-agent RL (MARL), where large joint state-action spaces and complex inter-agent interactions complicate the task. While prior single-agent studies have explored recovering reward functions and policies from human preferences, similar work in MARL is limited. Existing methods often involve separate stages of supervised reward learning and MARL algorithms, leading to unstable training. In this work, we introduce a novel end-to-end preference-based learning framework for cooperative MARL, leveraging the underlying connection between reward functions and soft Q-functions. Our approach uses a carefully-designed multi-agent value decomposition strategy to improve training efficiency. Extensive experiments on SMAC and MAMuJoCo benchmarks show that our algorithm outperforms existing methods across various tasks.
Distributed Differentially Private Data Analytics via Secure Sketching
Venue: Conference ICML 2025
Year: 2025

We introduce the linear-transformation model, a distributed model of differentially private data analysis. Clients have access to a trusted platform capable of applying a public matrix to their inputs. Such computations can be securely distributed across multiple servers using simple and efficient secure multiparty computation techniques. The linear-transformation model serves as an intermediate model between the highly expressive central model and the minimal local model. In the central model, clients have access to a trusted platform capable of applying any function to their inputs. However, this expressiveness comes at a cost, as it is often prohibitively expensive to distribute such computations, leading to the central model typically being implemented by a single trusted server. In contrast, the local model assumes no trusted platform, which forces clients to add significant noise to their data. The linear-transformation model avoids the single point of failure for privacy present in the central model, while also mitigating the high noise required in the local model. We demonstrate that linear transformations are very useful for differential privacy, allowing for the computation of linear sketches of input data. These sketches largely preserve utility for tasks such as private low-rank approximation and private ridge regression, while introducing only minimal error, critically independent of the number of clients.
Nearly Optimal Sample Complexity for Learning with Label Proportions
Venue: Conference ICML 2025
Year: 2025

We investigate Learning from Label Proportions (LLP), a partial information setting where examples in a training set are grouped into bags, and only aggregate label values in each bag are available. Despite the partial observability, the goal is still to achieve small regret at the level of individual examples. We give results on the sample complexity of LLP under square loss, showing that our sample complexity is essentially optimal. From an algorithmic viewpoint, we rely on carefully designed variants of Empirical Risk Minimization, and Stochastic Gradient Descent algorithms, combined with ad hoc variance reduction techniques. On one hand, our theoretical results improve in important ways on the existing literature on LLP, specifically in the way the sample complexity depends on the bag size. On the other hand, we validate our algorithmic solutions on several datasets, demonstrating improved empirical performance (better accuracy for less samples) against recent baselines.
Where is the Truth? The Risk of Getting Confounded in a Continual World
Venue: Conference ICML 2025
Year: 2025

A dataset is confounded if it is most easily solved via a spurious correlation, which fails to generalize to new data. In this work, we show that, in a continual learning setting where confounders may vary in time across tasks, the challenge of mitigating the effect of confounders far exceeds the standard forgetting problem normally considered. In particular, we provide a formal description of such continual confounders and identify that, in general, spurious correlations are easily ignored when training for all tasks jointly, but it is harder to avoid confounding when they are considered sequentially. These descriptions serve as a basis for constructing a novel CLEVR-based continually confounded dataset, which we term the ConCon dataset. Our evaluations demonstrate that standard continual learning methods fail to ignore the dataset's confounders. Overall, our work highlights the challenges of confounding factors, particularly in continual learning settings, and demonstrates the need for developing continual learning methods to robustly tackle these.
Testing the Limits of Fine-Tuning for Improving Visual Cognition in Vision Language Models
Venue: Conference ICML 2025
Year: 2025

Pre-trained vision language models still fall short of human visual cognition. In an effort to improve visual cognition and align models with human behavior, we introduce visual stimuli and human judgments on visual cognition tasks, allowing us to systematically evaluate performance across cognitive domains under a consistent environment. We fine-tune models on ground truth data for intuitive physics and causal reasoning and find that this improves model performance in the respective fine-tuning domain. Furthermore, it can improve model alignment with human behavior. However, we find that task-specific fine-tuning does not contribute to robust human-like generalization to data with other visual characteristics or to tasks in other cognitive domains.
Learning Multi-Level Features with Matryoshka Sparse Autoencoders
Venue: Conference ICML 2025
Year: 2025

Sparse autoencoders (SAEs) have emerged as a powerful tool for interpreting neural networks by extracting the concepts represented in their activations. However, choosing the size of the SAE dictionary (i.e. number of learned concepts) creates a tension: as dictionary size increases to capture more relevant concepts, sparsity incentivizes features to be split or absorbed into more specific features, leaving high-level features missing or warped. We introduce Matryoshka SAEs, a novel variant that addresses these issues by simultaneously training multiple nested dictionaries of increasing size, forcing the smaller dictionaries to independently reconstruct the inputs without using the larger dictionaries. This organizes features hierarchically - the smaller dictionaries learn general concepts, while the larger dictionaries learn more specific concepts, without incentive to absorb the high-level features. We train Matryoshka SAEs on Gemma-2-2B and TinyStories and find superior performance on sparse probing and targeted concept erasure tasks, more disentangled concept representations, and reduced feature absorption. While there is a minor tradeoff with reconstruction performance, we believe Matryoshka SAEs are a superior alternative for practical tasks, as they enable training arbitrarily large SAEs while retaining interpretable features at different levels of abstraction.
Symmetric Reinforcement Learning Loss for Robust Learning on Diverse Tasks and Model Scales
Venue: Conference ICML 2025
Year: 2025

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) can introduce additional difficulty. Differing preferences can complicate the alignment process, and prediction errors in a trained reward model can become more severe as the LLM generates unseen outputs. To enhance training robustness, RL has adopted techniques from supervised learning, such as ensembles and layer normalization. In this work, we improve the stability of RL training by adapting the reverse cross entropy (RCE) from supervised learning for noisy data to define 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), with and without added noise with especially notable performance in SPPO across different hyperparameters. Furthermore, we validate the benefits of the symmetric RL loss when using SPPO for large language models through improved performance in RLHF tasks, such as IMDB positive sentiment sentiment and TL;DR summarization tasks.
Shortcut-connected Expert Parallelism for Accelerating Mixture of Experts
Venue: Conference ICML 2025
Year: 2025

Expert parallelism has emerged as a key strategy for distributing the computational workload of sparsely-gated mixture-of-experts (MoE) models across multiple devices, enabling the processing of increasingly large-scale models. However, the All-to-All communication inherent to expert parallelism poses a significant bottleneck, limiting the efficiency of MoE models. Although existing optimization methods partially mitigate this issue, they remain constrained by the sequential dependency between communication and computation operations. To address this challenge, we propose ScMoE, a novel shortcut-connected MoE architecture integrated with an overlapping parallelization strategy. ScMoE decouples communication from its conventional sequential ordering, enabling up to 100% overlap with computation. Compared to the prevalent top-2 MoE baseline, ScMoE achieves speedups of 1.49 times in training and 1.82 times in inference. Moreover, our experiments and analyses indicate that ScMoE not only achieves comparable but in some instances surpasses the model quality of existing approaches.
From Local Details to Global Context: Advancing Vision-Language Models with Attention-Based Selection
Venue: Conference ICML 2025
Year: 2025

Pretrained vision-language models (VLMs), e.g., CLIP, demonstrate impressive zero-shot capabilities on downstream tasks. Prior research highlights the crucial role of visual augmentation techniques, like random cropping, in alignment with fine-grained class descriptions generated by large language models (LLMs), significantly enhancing zero-shot performance by incorporating multi-view information. However, the inherent randomness of these augmentations can inevitably introduce background artifacts and cause models to overly focus on local details, compromising global semantic understanding. To address these issues, we propose an \textbf{A}ttention-\textbf{B}ased \textbf{S}election (\textbf{ABS}) method from local details to global context, which applies attention-guided cropping in both raw images and feature space, supplement global semantic information through strategic feature selection. Additionally, we introduce a soft matching technique to effectively filter LLM descriptions for better alignment. \textbf{ABS} achieves state-of-the-art performance on out-of-distribution generalization and zero-shot classification tasks. Notably, \textbf{ABS} is training-free and even rivals few-shot and test-time adaptation methods. Our code is available at \href{https://github.com/BIT-DA/ABS}{\textcolor{darkgreen}{https://github.com/BIT-DA/ABS}}.
Robot-Gated Interactive Imitation Learning with Adaptive Intervention Mechanism
Venue: Conference ICML 2025
Year: 2025

Interactive Imitation Learning (IIL) allows agents to acquire desired behaviors through human interventions, but current methods impose high cognitive demands on human supervisors. We propose the Adaptive Intervention Mechanism (AIM), a novel robot-gated IIL algorithm that learns an adaptive criterion for requesting human demonstrations. AIM utilizes a proxy Q-function to mimic the human intervention rule and adjusts intervention requests based on the alignment between agent and human actions. By assigning high Q-values when the agent deviates from the expert and decreasing these values as the agent becomes proficient, the proxy Q-function enables the agent to assess the real-time alignment with the expert and request assistance when needed. Our expert-in-the-loop experiments reveal that AIM significantly reduces expert monitoring efforts in both continuous and discrete control tasks. Compared to the uncertainty-based baseline Thrifty-DAgger, our method achieves a 40% improvement in terms of human take-over cost and learning efficiency. Furthermore, AIM effectively identifies safety-critical states for expert assistance, thereby collecting higher-quality expert demonstrations and reducing overall expert data and environment interactions needed. Code and demo video are available at https://github.com/metadriverse/AIM.
Targeted Unlearning with Single Layer Unlearning Gradient
Venue: Conference ICML 2025
Year: 2025

Machine unlearning methods aim to remove sensitive or unwanted content from trained models, but typically demand extensive model updates at significant computational cost while potentially degrading model performance on both related and unrelated tasks. We propose Single Layer Unlearning Gradient (SLUG) as an efficient method to unlearn targeted information by updating a single critical layer using a one-time gradient computation. SLUG uses layer importance and gradient alignment metrics to identify the optimal layer for targeted information removal while preserving the model utility. We demonstrate the effectiveness of SLUG for CLIP, Stable Diffusion, and vision-language models (VLMs) in removing concrete (e.g., identities and objects) and abstract concepts (e.g., artistic styles). On the UnlearnCanvas benchmark, SLUG achieves comparable unlearning performance to existing methods while requiring significantly less computational resources. Our proposed approach offers a practical solution for targeted unlearning that is computationally efficient and precise. Our code is available at https://github.com/CSIPlab/SLUG.