OpenRaiser/Intern-Atlas huggingface dataset:
Learning Single Index Models with Diffusion Priors
Venue: Conference ICML 2025
Year: 2025

Diffusion models (DMs) have demonstrated remarkable ability to generate diverse and high-quality images by efficiently modeling complex data distributions. They have also been explored as powerful generative priors for signal recovery, resulting in a substantial improvement in the quality of reconstructed signals. However, existing research on signal recovery with diffusion models either focuses on specific reconstruction problems or is unable to handle nonlinear measurement models with discontinuous or unknown link functions. In this work, we focus on using DMs to achieve accurate recovery from semi-parametric single index models, which encompass a variety of popular nonlinear models that may have {\em discontinuous} and {\em unknown} link functions. We propose an efficient reconstruction method that only requires one round of unconditional sampling and (partial) inversion of DMs. Theoretical analysis on the effectiveness of the proposed methods has been established under appropriate conditions. We perform numerical experiments on image datasets for different nonlinear measurement models. We observe that compared to competing methods, our approach can yield more accurate reconstructions while utilizing significantly fewer neural function evaluations.
Concentration Distribution Learning from Label Distributions
Venue: Conference ICML 2025
Year: 2025

Label distribution learning (LDL) is an effective method to predict the relative label description degree (a.k.a. label distribution) of a sample. However, the label distribution is not a complete representation of an instance because it overlooks the absolute intensity of each label. Specifically, it's impossible to obtain the total description degree of hidden labels that not in the label space, which leads to the loss of information and confusion in instances. To solve the above problem, we come up with a new concept named background concentration to serve as the absolute description degree term of the label distribution and introduce it into the LDL process, forming the improved paradigm of concentration distribution learning. Moreover, we propose a novel model by probabilistic methods and neural networks to learn label distributions and background concentrations from existing LDL datasets. Extensive experiments prove that the proposed approach is able to extract background concentrations from label distributions while producing more accurate prediction results than the state-of-the-art LDL methods. The code is available in https://github.com/seutjw/CDL-LD.
Robust Offline Reinforcement Learning with Linearly Structured f-Divergence Regularization
Venue: Conference ICML 2025
Year: 2025

The Robust Regularized Markov Decision Process (RRMDP) is proposed to learn policies robust to dynamics shifts by adding regularization to the transition dynamics in the value function. Existing methods mostly use unstructured regularization, potentially leading to conservative policies under unrealistic transitions. To address this limitation, we propose a novel framework, the $d$-rectangular linear RRMDP ($d$-RRMDP), which introduces latent structures into both transition kernels and regularization. We focus on offline reinforcement learning, where an agent learns policies from a precollected dataset in the nominal environment. We develop the Robust Regularized Pessimistic Value Iteration (R2PVI) algorithm that employs linear function approximation for robust policy learning in $d$-RRMDPs with $f$-divergence based regularization terms on transition kernels. We provide instance-dependent upper bounds on the suboptimality gap of R2PVI policies, demonstrating that these bounds are influenced by how well the dataset covers state-action spaces visited by the optimal robust policy under robustly admissible transitions. We establish information-theoretic lower bounds to verify that our algorithm is near-optimal. Finally, numerical experiments validate that R2PVI learns robust policies and exhibits superior computational efficiency compared to baseline methods.
Mitigating Plasticity Loss in Continual Reinforcement Learning by Reducing Churn
Venue: Conference ICML 2025
Year: 2025

Plasticity, or the ability of an agent to adapt to new tasks, environments, or distributions, is crucial for continual learning. In this paper, we study the loss of plasticity in deep continual RL from the lens of churn: network output variability for out-of-batch data induced by mini-batch training. We demonstrate that (1) the loss of plasticity is accompanied by the exacerbation of churn due to the gradual rank decrease of the Neural Tangent Kernel (NTK) matrix; (2) reducing churn helps prevent rank collapse and adjusts the step size of regular RL gradients adaptively. Moreover, we introduce Continual Churn Approximated Reduction (C-CHAIN) and demonstrate it improves learning performance and outperforms baselines in a diverse range of continual learning environments on OpenAI Gym Control, ProcGen, DeepMind Control Suite, and MinAtar benchmarks.
CLIMB: Data Foundations for Large Scale Multimodal Clinical Foundation Models
Venue: Conference ICML 2025
Year: 2025

Recent advances in clinical AI have enabled remarkable progress across many clinical domains. However, existing benchmarks and models are primarily limited to a small set of modalities and tasks, which hinders the development of large-scale multimodal methods that can make holistic assessments of patient health and well-being. To bridge this gap, we introduce Clinical Large-Scale Integrative Multimodal Benchmark (CLIMB), a comprehensive clinical benchmark unifying diverse clinical data across imaging, language, temporal, and graph modalities. CLIMB comprises 4.51 million patient samples totaling 19.01 terabytes distributed across 2D imaging, 3D video, time series, graphs, and multimodal data. Through extensive empirical evaluation, we demonstrate that multitask pretraining significantly improves performance on understudied domains, achieving up to 29% improvement in ultrasound and 23% in ECG analysis over single-task learning. Pretraining on CLIMB also effectively improves models' generalization capability to new tasks, and strong unimodal encoder performance translates well to multimodal performance when paired with task-appropriate fusion strategies. Our findings provide a foundation for new architecture designs and pretraining strategies to advance clinical AI research. Code is released at https://github.com/DDVD233/climb.
S2-Track: A Simple yet Strong Approach for End-to-End 3D Multi-Object Tracking
Venue: Conference ICML 2025
Year: 2025

3D multiple object tracking (MOT) plays a crucial role in autonomous driving perception. Recent end-to-end query-based trackers simultaneously detect and track objects, which have shown promising potential for the 3D MOT task. However, existing methods are still in the early stages of development and lack systematic improvements, failing to track objects in certain complex scenarios, like occlusions and the small size of target object's situations. In this paper, we first summarize the current end-to-end 3D MOT framework by decomposing it into three constituent parts: query initialization, query propagation, and query matching. Then we propose corresponding improvements, which lead to a strong yet simple tracker: S2-Track. Specifically, for query initialization, we present 2D-Prompted Query Initialization, which leverages predicted 2D object and depth information to prompt an initial estimate of the object's 3D location. For query propagation, we introduce an Uncertainty-aware Probabilistic Decoder to capture the uncertainty of complex environment in object prediction with probabilistic attention. For query matching, we propose a Hierarchical Query Denoising strategy to enhance training robustness and convergence. As a result, our S2-Track achieves state-of-the-art performance on nuScenes benchmark, i.e., 66.3% AMOTA on test split, surpassing the previous best end-to-end solution by a significant margin of 8.9% AMOTA. We achieve 1st place on the nuScenes tracking task leaderboard.
Optimizing Language Models for Inference Time Objectives using Reinforcement Learning
Venue: Conference ICML 2025
Year: 2025

In this work, we investigate the merits of explicitly optimizing for inference time algorithmic performance during model training. We show how optimizing for inference time performance can improve overall model efficacy. We consider generic inference time objectives with $k$ samples, with a focus on pass@$k$ and majority voting as two main applications. With language model training on reasoning datasets, we showcase the performance trade-off enabled by training with such objectives. When training on code generation tasks, we show that the approach significantly improves pass@$k$ objectives compared to the baseline method.
(How) Can Transformers Predict Pseudo-Random Numbers?
Venue: Conference ICML 2025
Year: 2025

Transformers excel at discovering patterns in sequential data, yet their fundamental limitations and learning mechanisms remain crucial topics of investigation. In this paper, we study the ability of Transformers to learn pseudo-random number sequences from linear congruential generators (LCGs), defined by the recurrence relation $x_{t+1} = a x_t + c \;\mathrm{mod}\; m$. We find that with sufficient architectural capacity and training data variety, Transformers can perform in-context prediction of LCG sequences with unseen moduli ($m$) and parameters ($a,c$). By analyzing the embedding layers and attention patterns, we uncover how Transformers develop algorithmic structures to learn these sequences in two scenarios of increasing complexity. First, we investigate how Transformers learn LCG sequences with unseen ($a, c$) but fixed modulus; and demonstrate successful learning up to $m = 2^{32}$. We find that models learn to factorize $m$ and utilize digit-wise number representations to make sequential predictions. In the second, more challenging scenario of unseen moduli, we show that Transformers can generalize to unseen moduli up to $m_{\text{test}} = 2^{16}$. In this case, the model employs a two-step strategy: first estimating the unknown modulus from the context, then utilizing prime factorizations to generate predictions. For this task, we observe a sharp transition in the accuracy at a critical depth $d= 3$. We also find that the number of in-context sequence elements needed to reach high accuracy scales sublinearly with the modulus.
Unisoma: A Unified Transformer-based Solver for Multi-Solid Systems
Venue: Conference ICML 2025
Year: 2025

Multi-solid systems are foundational to a wide range of real-world applications, yet modeling their complex interactions remains challenging. Existing deep learning methods predominantly rely on implicit modeling, where the factors influencing solid deformation are not explicitly represented but are instead indirectly learned. However, as the number of solids increases, these methods struggle to accurately capture intricate physical interactions. In this paper, we introduce a novel explicit modeling paradigm that incorporates factors influencing solid deformation through structured modules. Specifically, we present Unisoma, a unified and flexible Transformer-based model capable of handling variable numbers of solids. Unisoma directly captures physical interactions using contact modules and adaptive interaction allocation mechanism, and learns the deformation through a triplet relationship. Compared to implicit modeling techniques, explicit modeling is more well-suited for multi-solid systems with diverse coupling patterns, as it enables detailed treatment of each solid while preventing information blending and confusion. Experimentally, Unisoma achieves consistent state-of-the-art performance across seven well-established datasets and two complex multi-solid tasks. Code is avaiable at https://github.com/therontau0054/Unisoma.
Deep Bayesian Filter for Bayes-Faithful Data Assimilation
Venue: Conference ICML 2025
Year: 2025

State estimation for nonlinear state space models (SSMs) is a challenging task. Existing assimilation methodologies predominantly assume Gaussian posteriors on physical space, where true posteriors become inevitably non-Gaussian. We propose Deep Bayesian Filtering (DBF) for data assimilation on nonlinear SSMs. DBF constructs new latent variables $h_t$ in addition to the original physical variables $z_t$ and assimilates observations $o_t$. By (i) constraining the state transition on the new latent space to be linear and (ii) learning a Gaussian inverse observation operator $r(h_t|o_t)$, posteriors remain Gaussian. Notably, the structured design of test distributions enables an analytical formula for the recursive computation, eliminating the accumulation of Monte Carlo sampling errors across time steps. DBF trains the Gaussian inverse observation operators $r(h_t|o_t)$ and other latent SSM parameters (e.g., dynamics matrix) by maximizing the evidence lower bound. Experiments demonstrate that DBF outperforms model-based approaches and latent assimilation methods in tasks where the true posterior distribution on physical space is significantly non-Gaussian.
Aequa: Fair Model Rewards in Collaborative Learning via Slimmable Networks
Venue: Conference ICML 2025
Year: 2025

Collaborative learning enables multiple participants to learn a single global model by exchanging focused updates instead of sharing data. One of the core challenges in collaborative learning is ensuring that participants are rewarded fairly for their contributions, which entails two key sub-problems: contribution assessment and reward allocation. This work focuses on fair reward allocation, where the participants are incentivized through model rewards - differentiated final models whose performance is commensurate with the contribution. In this work, we leverage the concept of slimmable neural networks to collaboratively learn a shared global model whose performance degrades gracefully with a reduction in model width. We also propose a post-training fair allocation algorithm that determines the model width for each participant based on their contributions. We theoretically study the convergence of our proposed approach and empirically validate it using extensive experiments on different datasets and architectures. We also extend our approach to enable training-time model reward allocation.
A Physics-Informed Machine Learning Framework for Safe and Optimal Control of Autonomous Systems
Venue: Conference ICML 2025
Year: 2025

As autonomous systems become more ubiquitous in daily life, ensuring high performance with guaranteed safety is crucial. However, safety and performance could be competing objectives, which makes their co-optimization difficult. Learning-based methods, such as Constrained Reinforcement Learning (CRL), achieve strong performance but lack formal safety guarantees due to safety being enforced as soft constraints, limiting their use in safety-critical settings. Conversely, formal methods such as Hamilton-Jacobi (HJ) Reachability Analysis and Control Barrier Functions (CBFs) provide rigorous safety assurances but often neglect performance, resulting in overly conservative controllers. To bridge this gap, we formulate the co-optimization of safety and performance as a state-constrained optimal control problem, where performance objectives are encoded via a cost function and safety requirements are imposed as state constraints. We demonstrate that the resultant value function satisfies a Hamilton-Jacobi-Bellman (HJB) equation, which we approximate efficiently using a novel physics-informed machine learning framework. In addition, we introduce a conformal prediction-based verification strategy to quantify the learning errors, recovering a high-confidence safety value function, along with a probabilistic error bound on performance degradation. Through several case studies, we demonstrate the efficacy of the proposed framework in enabling scalable learning of safe and performant controllers for complex, high-dimensional autonomous systems.
Geometric Contact Flows: Contactomorphisms for Dynamics and Control
Venue: Conference ICML 2025
Year: 2025

Accurately modeling and predicting complex dynamical systems, particularly those involving force exchange and dissipation, is crucial for applications ranging from fluid dynamics to robotics, but presents significant challenges due to the intricate interplay of geometric constraints and energy transfer. This paper introduces Geometric Contact Flows (GFC), a novel framework leveraging Riemannian and Contact geometry as inductive biases to learn such systems. GCF constructs a latent contact Hamiltonian model encoding desirable properties like stability or energy conservation. An ensemble of contactomorphisms then adapts this model to the target dynamics while preserving these properties. This ensemble allows for uncertainty-aware geodesics that attract the system's behavior toward the data support, enabling robust generalization and adaptation to unseen scenarios. Experiments on learning dynamics for physical systems and for controlling robots on interaction tasks demonstrate the effectiveness of our approach.
Universal Sparse Autoencoders: Interpretable Cross-Model Concept Alignment
Venue: Conference ICML 2025
Year: 2025

We present Universal Sparse Autoencoders (USAEs), a framework for uncovering and aligning interpretable concepts spanning multiple pretrained deep neural networks. Unlike existing concept-based interpretability methods, which focus on a single model, USAEs jointly learn a universal concept space that can reconstruct and interpret the internal activations of multiple models at once. Our core insight is to train a single, overcomplete sparse autoencoder (SAE) that ingests activations from any model and decodes them to approximate the activations of any other model under consideration. By optimizing a shared objective, the learned dictionary captures common factors of variation-concepts-across different tasks, architectures, and datasets. We show that USAEs discover semantically coherent and important universal concepts across vision models; ranging from low-level features (e.g., colors and textures) to higher-level structures (e.g., parts and objects). Overall, USAEs provide a powerful new method for interpretable cross-model analysis and offers novel applications, such as coordinated activation maximization, that open avenues for deeper insights in multi-model AI systems
WikiBigEdit: Understanding the Limits of Lifelong Knowledge Editing in LLMs
Venue: Conference ICML 2025
Year: 2025

Keeping large language models factually up-to-date is crucial for deployment, yet costly retraining remains a challenge. Knowledge editing offers a promising alternative, but methods are only tested on small-scale or synthetic edit benchmarks. In this work, we aim to bridge research into lifelong knowledge editing to real-world edits at a practically relevant scale. We first introduce WikiBigEdit; a large-scale benchmark of real-world Wikidata edits, built to automatically extend lifelong for future-proof benchmarking. In its first instance, it includes over 500K question-answer pairs for knowledge editing alongside a comprehensive evaluation pipeline. Finally, we use WikiBigEdit to study existing knowledge editing techniques' ability to incorporate large volumes of real-world facts and contrast their capabilities to generic modification techniques such as retrieval augmentation and continual finetuning to acquire a complete picture of the practical extent of current lifelong knowledge editing.
What can large language models do for sustainable food?
Venue: Conference ICML 2025
Year: 2025

Food systems are responsible for a third of human-caused greenhouse gas emissions. We investigate what Large Language Models (LLMs) can contribute to reducing the environmental impacts of food production. We define a typology of design and prediction tasks based on the sustainable food literature and collaboration with domain experts, and evaluate six LLMs on four tasks in our typology. For example, for a sustainable protein design task, food science experts estimated that collaboration with an LLM can reduce time spent by 45% on average, compared to 22% for collaboration with another expert human food scientist. However, for a sustainable menu design task, LLMs produce suboptimal solutions when instructed to consider both human satisfaction and climate impacts. We propose a general framework for integrating LLMs with combinatorial optimization to improve reasoning capabilities. Our approach decreases emissions of food choices by 79% in a hypothetical restaurant while maintaining participants' satisfaction with their set of choices. Our results demonstrate LLMs' potential, supported by optimization techniques, to accelerate sustainable food development and adoption.
NTK-DFL: Enhancing Decentralized Federated Learning in Heterogeneous Settings via Neural Tangent Kernel
Venue: Conference ICML 2025
Year: 2025

Decentralized federated learning (DFL) is a collaborative machine learning framework for training a model across participants without a central server or raw data exchange. DFL faces challenges due to statistical heterogeneity, as participants often possess data of different distributions reflecting local environments and user behaviors. Recent work has shown that the neural tangent kernel (NTK) approach, when applied to federated learning in a centralized framework, can lead to improved performance. We propose an approach leveraging the NTK to train client models in the decentralized setting, while introducing a synergy between NTK-based evolution and model averaging. This synergy exploits inter-client model deviation and improves both accuracy and convergence in heterogeneous settings. Empirical results demonstrate that our approach consistently achieves higher accuracy than baselines in highly heterogeneous settings, where other approaches often underperform. Additionally, it reaches target performance in 4.6 times fewer communication rounds. We validate our approach across multiple datasets, network topologies, and heterogeneity settings to ensure robustness and generalization.
Selective Prompt Anchoring for Code Generation
Venue: Conference ICML 2025
Year: 2025

Recent advances in large language models (LLMs) have transformed software development by automatically generating code from natural language. Yet challenges remain in generating fully correct code that aligns with user intent. Our study reveals that LLMs tend to pay less attention to user prompts as more code tokens are generated. We hypothesize that this attention dilution issue is an important reason for code generation errors. To mitigate this issue, we propose Selective Prompt Anchoring (SPA) to guide code LLMs to pay more attention to user intent when generating code. We evaluate SPA using six base LLMs across six benchmarks. Our results demonstrate that SPA enhances Pass@1 by up to 12.9%, consistently outperforming SOTA code generation methods in all settings. Our code is available at https://github.com/magic-YuanTian/Selective-Prompt-Anchoring.