OpenRaiser/Intern-Atlas huggingface dataset:
Beyond Entropy: Region Confidence Proxy for Wild Test-Time Adaptation
Venue: Conference ICML 2025
Year: 2025

Wild Test-Time Adaptation (WTTA) is proposed to adapt a source model to unseen domains under extreme data scarcity and multiple shifts. Previous approaches mainly focused on sample selection strategies, while overlooking the fundamental problem on underlying optimization. Initially, we critically analyze the widely-adopted entropy minimization framework in WTTA and uncover its significant limitations in noisy optimization dynamics that substantially hinder adaptation efficiency. Through our analysis, we identify region confidence as a superior alternative to traditional entropy, however, its direct optimization remains computationally prohibitive for real-time applications. In this paper, we introduce a novel region-integrated method ReCAP that bypasses the lengthy process. Specifically, we propose a probabilistic region modeling scheme that flexibly captures semantic changes in embedding space. Subsequently, we develop a finite-to-infinite asymptotic approximation that transforms the intractable region confidence into a tractable and upper-bounded proxy. These innovations significantly unlock the overlooked potential dynamics in local region in a concise solution. Our extensive experiments demonstrate the consistent superiority of ReCAP over existing methods across various datasets and wild scenarios.
EPIC: Efficient Position-Independent Caching for Serving Large Language Models
Venue: Conference ICML 2025
Year: 2025

Large Language Models (LLMs) show great capabilities in a wide range of applications, but serving them efficiently becomes increasingly challenging as requests (prompts) become more complex. Context caching improves serving performance by reusing Key-Value (KV) vectors, the intermediate representations of tokens that are repeated across requests. However, existing context caching requires exact prefix matches across requests, limiting reuse cases in settings such as few-shot learning and retrieval-augmented generation, where immutable content (e.g., documents) remains unchanged across requests but is preceded by varying prefixes. Position-Independent Caching (PIC) addresses this issue by enabling modular reuse of the KV vectors regardless of prefixes. We formalize PIC and advance prior work by introducing EPIC, a serving system incorporating our new LegoLink algorithm, which mitigates the inappropriate "attention sink" effect at every document beginning, to maintain accuracy with minimal computation. Experiments show that EPIC achieves up to 8x improvements in Time-To-First-Token (TTFT) and 7x throughput gains over existing systems, with negligible or no accuracy loss.
Explicit Preference Optimization: No Need for an Implicit Reward Model
Venue: Conference ICML 2025
Year: 2025

The generated responses of large language models (LLMs) are often fine-tuned to human preferences through a process called reinforcement learning from human feedback (RLHF). As RLHF relies on a challenging training sequence, whereby a separate reward model is independently learned and then later applied to LLM policy updates, ongoing research effort has targeted more straightforward alternatives. In this regard, direct preference optimization (DPO) and its many offshoots circumvent the need for a separate reward training step. Instead, through the judicious use of a reparameterization trick that induces an \textit{implicit} reward, DPO and related methods consolidate learning to the minimization of a single loss function. And yet despite demonstrable success in some real-world settings, we prove that DPO-based objectives are nonetheless subject to sub-optimal regularization and counter-intuitive interpolation behaviors, underappreciated artifacts of the reparameterizations upon which they are based. To this end, we introduce an \textit{explicit} preference optimization framework termed EXPO that requires no analogous reparameterization to achieve an implicit reward. Quite differently, we merely posit intuitively-appealing regularization factors from scratch that transparently avoid the potential pitfalls of key DPO variants, provably satisfying regularization desiderata that prior methods do not. Empirical results serve to corroborate our analyses and showcase the efficacy of EXPO.
The Panaceas for Improving Low-Rank Decomposition in Communication-Efficient Federated Learning
Venue: Conference ICML 2025
Year: 2025

To improve the training efficiency of federated learning (FL), previous research has employed low-rank decomposition techniques to reduce communication overhead. In this paper, we seek to enhance the performance of these low-rank decomposition methods. Specifically, we focus on three key issues related to decomposition in FL: what to decompose, how to decompose, and how to aggregate. Subsequently, we introduce three novel techniques: Model Update Decomposition (MUD), Block-wise Kronecker Decomposition (BKD), and Aggregation-Aware Decomposition (AAD), each targeting a specific issue. These techniques are complementary and can be applied simultaneously to achieve optimal performance. Additionally, we provide a rigorous theoretical analysis to ensure the convergence of the proposed MUD. Extensive experimental results show that our approach achieves faster convergence and superior accuracy compared to relevant baseline methods. The code is available at https://github.com/Leopold1423/fedmud-icml25.
Explicit Discovery of Nonlinear Symmetries from Dynamic Data
Venue: Conference ICML 2025
Year: 2025

Symmetry is widely applied in problems such as the design of equivariant networks and the discovery of governing equations, but in complex scenarios, it is not known in advance. Most previous symmetry discovery methods are limited to linear symmetries, and recent attempts to discover nonlinear symmetries fail to explicitly get the Lie algebra subspace. In this paper, we propose LieNLSD, which is, to our knowledge, the first method capable of determining the number of infinitesimal generators with nonlinear terms and their explicit expressions. We specify a function library for the infinitesimal group action and aim to solve for its coefficient matrix, proving that its prolongation formula for differential equations, which governs dynamic data, is also linear with respect to the coefficient matrix. By substituting the central differences of the data and the Jacobian matrix of the trained neural network into the infinitesimal criterion, we get a system of linear equations for the coefficient matrix, which can then be solved using SVD. On top quark tagging and a series of dynamic systems, LieNLSD shows qualitative advantages over existing methods and improves the long rollout accuracy of neural PDE solvers by over 20% while applying to guide data augmentation. Code and data are available at https://github.com/hulx2002/LieNLSD.
Editable Concept Bottleneck Models
Venue: Conference ICML 2025
Year: 2025

Concept Bottleneck Models (CBMs) have garnered much attention for their ability to elucidate the prediction process through a humanunderstandable concept layer. However, most previous studies focused on cases where the data, including concepts, are clean. In many scenarios, we often need to remove/insert some training data or new concepts from trained CBMs for reasons such as privacy concerns, data mislabelling, spurious concepts, and concept annotation errors. Thus, deriving efficient editable CBMs without retraining from scratch remains a challenge, particularly in large-scale applications. To address these challenges, we propose Editable Concept Bottleneck Models (ECBMs). Specifically, ECBMs support three different levels of data removal: concept-label-level, concept-level, and data-level. ECBMs enjoy mathematically rigorous closed-form approximations derived from influence functions that obviate the need for retraining. Experimental results demonstrate the efficiency and adaptability of our ECBMs, affirming their practical value in CBMs.
Scalable Attribute-Missing Graph Clustering via Neighborhood Differentiation
Venue: Conference ICML 2025
Year: 2025

Deep graph clustering (DGC), which aims to unsupervisedly separate the nodes in an attribute graph into different clusters, has seen substantial potential in various industrial scenarios like community detection and recommendation. However, the real-world attribute graphs, e.g., social networks interactions, are usually large-scale and attribute-missing. To solve these two problems, we propose a novel DGC method termed \underline{\textbf{C}}omplementary \underline{\textbf{M}}ulti-\underline{\textbf{V}}iew \underline{\textbf{N}}eighborhood \underline{\textbf{D}}ifferentiation (\textit{CMV-ND}), which preprocesses graph structural information into multiple views in a complete but non-redundant manner. First, to ensure completeness of the structural information, we propose a recursive neighborhood search that recursively explores the local structure of the graph by completely expanding node neighborhoods across different hop distances. Second, to eliminate the redundancy between neighborhoods at different hops, we introduce a neighborhood differential strategy that ensures no overlapping nodes between the differential hop representations. Then, we construct $K+1$ complementary views from the $K$ differential hop representations and the features of the target node. Last, we apply existing multi-view clustering or DGC methods to the views. Experimental results on six widely used graph datasets demonstrate that CMV-ND significantly improves the performance of various methods.
Efficient Length-Generalizable Attention via Causal Retrieval for Long-Context Language Modeling
Venue: Conference ICML 2025
Year: 2025

Despite the success of Transformers, handling long contexts remains challenging due to the limited length generalization and quadratic complexity of self-attention. Thus Transformers often require post-training with a larger attention window, significantly increasing computational and memory costs. In this paper, we propose a novel attention mechanism based on dynamic context, Grouped Cross Attention (GCA), which can generalize to 1000 times the pre-training context length while maintaining the ability to access distant information with a constant attention window size. For a given input sequence, we split it into chunks and use each chunk to retrieve top-k relevant past chunks for subsequent text generation. Specifically, unlike most previous works that use an off-the-shelf retriever, our key innovation allows the retriever to learn how to retrieve past chunks that better minimize the auto-regressive loss of subsequent tokens in an end-to-end manner. Such a mechanism accommodates retrieved chunks with a fixed-size attention window to achieve long-range information access, significantly reducing computational and memory costs during training and inference. Experiments show that GCA-based models achieve near-perfect accuracy in passkey retrieval for 16M context lengths, which is 1000 times the training length.
Test-Time Learning for Large Language Models
Venue: Conference ICML 2025
Year: 2025

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

The practical applications of diffusion models have been limited by the misalignment between generated images and corresponding text prompts. Recent studies have introduced direct preference optimization (DPO) to enhance the alignment of these models. However, the effectiveness of DPO is constrained by the issue of visual inconsistency, where the significant visual disparity between well-aligned and poorly-aligned images prevents diffusion models from identifying which factors contribute positively to alignment during fine-tuning. To address this issue, this paper introduces D-Fusion, a method to construct DPO-trainable visually consistent samples. On one hand, by performing mask-guided self-attention fusion, the resulting images are not only well-aligned, but also visually consistent with given poorly-aligned images. On the other hand, D-Fusion can retain the denoising trajectories of the resulting images, which are essential for DPO training. Extensive experiments demonstrate the effectiveness of D-Fusion in improving prompt-image alignment when applied to different reinforcement learning algorithms.
TimeFilter: Patch-Specific Spatial-Temporal Graph Filtration for Time Series Forecasting
Venue: Conference ICML 2025
Year: 2025

Time series forecasting methods generally fall into two main categories: Channel Independent (CI) and Channel Dependent (CD) strategies. While CI overlooks important covariate relationships, CD captures all dependencies without distinction, introducing noise and reducing generalization. Recent advances in Channel Clustering (CC) aim to refine dependency modeling by grouping channels with similar characteristics and applying tailored modeling techniques. However, coarse-grained clustering struggles to capture complex, time-varying interactions effectively. To address these challenges, we propose TimeFilter, a GNN-based framework for adaptive and fine-grained dependency modeling. After constructing the graph from the input sequence, TimeFilter refines the learned spatial-temporal dependencies by filtering out irrelevant correlations while preserving the most critical ones in a patch-specific manner. Extensive experiments on 13 real-world datasets from diverse application domains demonstrate the state-of-the-art performance of TimeFilter. The code is available at https://github.com/TROUBADOUR000/TimeFilter.
OpenworldAUC: Towards Unified Evaluation and Optimization for Open-world Prompt Tuning
Venue: Conference ICML 2025
Year: 2025

Prompt tuning adapts Vision-Language Models like CLIP to open-world tasks with minimal training costs. In this direction, one typical paradigm evaluates model performance separately on known classes (i.e., base domain) and unseen classes (i.e., new domain). However, real-world scenarios require models to handle inputs without prior domain knowledge. This practical challenge has spurred the development of open-world prompt tuning, which demands a unified evaluation of two stages: 1) detecting whether an input belongs to the base or new domain (P1), and 2) classifying the sample into its correct class (P2). What's more, as domain distributions are generally unknown, a proper metric should be insensitive to varying base/new sample ratios (P3). However, we find that current metrics, including HM, overall accuracy, and AUROC, fail to satisfy these three properties simultaneously. To bridge this gap, we propose OpenworldAUC, a unified metric that jointly assesses detection and classification through pairwise instance comparisons. To optimize OpenworldAUC effectively, we introduce Gated Mixture-of-Prompts (GMoP), which employs domain-specific prompts and a gating mechanism to dynamically balance detection and classification. Theoretical guarantees ensure generalization of GMoP under practical conditions. Experiments on 15 benchmarks in open-world scenarios show GMoP achieves SOTA performance on OpenworldAUC and other metrics. We release the code at https://github.com/huacong/OpenworldAUC
Differential Coding for Training-Free ANN-to-SNN Conversion
Venue: Conference ICML 2025
Year: 2025

Spiking Neural Networks (SNNs) exhibit significant potential due to their low energy consumption. Converting Artificial Neural Networks (ANNs) to SNNs is an efficient way to achieve high-performance SNNs. However, many conversion methods are based on rate coding, which requires numerous spikes and longer time-steps compared to directly trained SNNs, leading to increased energy consumption and latency. This article introduces differential coding for ANN-to-SNN conversion, a novel coding scheme that reduces spike counts and energy consumption by transmitting changes in rate information rather than rates directly, and explores its application across various layers. Additionally, the threshold iteration method is proposed to optimize thresholds based on activation distribution when converting Rectified Linear Units (ReLUs) to spiking neurons. Experimental results on various Convolutional Neural Networks (CNNs) and Transformers demonstrate that the proposed differential coding significantly improves accuracy while reducing energy consumption, particularly when combined with the threshold iteration method, achieving state-of-the-art performance. The source codes of the proposed method are available at https://github.com/h-z-h-cell/ANN-to-SNN-DCGS.
Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation
Venue: Conference ICML 2025
Year: 2025

Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invariance under a simultaneous movement of multiple objects, arise naturally in many-body quantum problems. Despite their importance, diagonal groups have received relatively little attention, as they lack a natural choice of invariant maps except in special cases. We study different ways of incorporating diagonal invariance in neural network ansätze trained via variational Monte Carlo methods, and consider specifically data augmentation, group averaging and canonicalization. We show that, contrary to standard ML setups, in-training symmetrization destabilizes training and can lead to worse performance. Our theoretical and numerical results indicate that this unexpected behavior may arise from a unique computational-statistical tradeoff not found in standard ML analyses of symmetrization. Meanwhile, we demonstrate that post hoc averaging is less sensitive to such tradeoffs and emerges as a simple, flexible and effective method for improving neural network solvers.
GS-Bias: Global-Spatial Bias Learner for Single-Image Test-Time Adaptation of Vision-Language Models
Venue: Conference ICML 2025
Year: 2025

Recent advances in test-time adaptation (TTA) for Vision-Language Models (VLMs) have garnered increasing attention, particularly through the use of multiple augmented views of a single image to boost zero-shot generalization. Unfortunately, existing methods fail to strike a satisfactory balance between performance and efficiency, either due to excessive overhead of tuning text prompts or unstable benefits from handcrafted, training-free visual feature enhancement. In this paper, we present Global-Spatial Bias Learner (GS-Bias), an efficient and effective TTA paradigm that incorporates two learnable biases during TTA, unfolded as the global bias and spatial bias. Particularly, the global bias captures the global semantic features of a test image by learning consistency across augmented views, while spatial bias learns the semantic coherence between regions in the image's spatial visual representation. It is worth highlighting that these two sets of biases are directly added to the logits outputed by the pretrained VLMs, which circumvent the full backpropagation through VLM that hinders the efficiency of existing TTA methods. This endows GS-Bias with extremely high efficiency while achieving state-of-the-art performance on 15 benchmark datasets. For example, it achieves a 2.23% improvement over TPT in cross-dataset generalization and a 2.72% improvement in domain generalization, while requiring only 6.5% of TPT's memory usage on ImageNet.
Evaluating LLMs Across Multi-Cognitive Levels: From Medical Knowledge Mastery to Scenario-Based Problem Solving
Venue: Conference ICML 2025
Year: 2025

Large language models (LLMs) have demonstrated remarkable performance on various medical benchmarks, but their capabilities across different cognitive levels remain underexplored. Inspired by Bloom's Taxonomy, we propose a multi-cognitive-level evaluation framework for assessing LLMs in the medical domain in this study. The framework integrates existing medical datasets and introduces tasks targeting three cognitive levels: preliminary knowledge grasp, comprehensive knowledge application, and scenario-based problem solving. Using this framework, we systematically evaluate state-of-the-art general and medical LLMs from six prominent families: Llama, Qwen, Gemma, Phi, GPT, and DeepSeek. Our findings reveal a significant performance decline as cognitive complexity increases across evaluated models, with model size playing a more critical role in performance at higher cognitive levels. Our study highlights the need to enhance LLMs' medical capabilities at higher cognitive levels and provides insights for developing LLMs suited to real-world medical applications.
Determining Layer-wise Sparsity for Large Language Models Through a Theoretical Perspective
Venue: Conference ICML 2025
Year: 2025

In this paper, we address the challenge of determining the layer-wise sparsity rates of large language models (LLMs) through a theoretical perspective. Specifically, we identify a critical issue of ''$\textbf{reconstruction error explosion}$'' in existing LLMs sparsification methods. This refers to the cumulative effect of reconstruction errors throughout the sparsification process, where errors from earlier layers propagate and amplify in subsequent layers. As a result, the overall reconstruction error increases significantly, leading to a substantial degradation in model performance. Through theoretical analysis, we derive a simple yet effective approach to layer-wise sparsity allocation that mitigates this issue. Our method uses a monotonically increasing arithmetic progression, reducing the process of determining sparsity rates for multiple layers to the determination of a single common difference hyperparameter. Remarkably, this allows for the optimal layer-wise sparsity rates to be identified with just a few trials. Both our theoretical analysis and experimental results demonstrate that this sparsity allocation scheme is near optimal. Extensive experiments show that our method significantly improves the performance of sparse LLMs across various architectures, outperforming existing layer-wise sparsity methods. Furthermore, it enhances the performance of various compression techniques and is applicable to vision and multimodal models. Notably, our method achieves a reduction of 52.10 in perplexity for the 70$\%$ sparse LLaMA2-7B model obtained via Wanda, improves average zero-shot accuracy by 10.50$\%$, and delivers speedups of 2.63$\times$ and 2.23$\times$ on CPU and GPU, respectively.