OpenRaiser/Intern-Atlas huggingface dataset:
On Teacher Hacking in Language Model Distillation
Venue: Conference ICML 2025
Year: 2025

Post-training of language models (LMs) increasingly relies on the following two stages: (i) knowledge distillation, where the LM is trained to imitate a larger teacher LM, and (ii) reinforcement learning from human feedback (RLHF), where the LM is aligned by optimizing a reward model. In the second RLHF stage, a well-known challenge is reward hacking, where the LM over-optimizes the reward model. Such phenomenon is in line with Goodhart's law and can lead to degraded performance on the true objective. In this paper, we investigate whether a similar phenomenon, that we call teacher hacking, can occur during knowledge distillation. This could arise because the teacher LM is itself an imperfect approximation of the true distribution. To study this, we propose a controlled experimental setup involving: (i) an oracle LM representing the ground-truth distribution, (ii) a teacher LM distilled from the oracle, and (iii) a student LM distilled from the teacher. Our experiments reveal the following insights. When using a fixed offline dataset for distillation, teacher hacking occurs; moreover, we can detect it by observing when the optimization process deviates from polynomial convergence laws. In contrast, employing online data generation techniques effectively mitigates teacher hacking. More precisely, we identify data diversity as the key factor in preventing hacking. Overall, our findings provide a deeper understanding of the benefits and limitations of distillation for building robust and efficient LMs.
Learnable Spatial-Temporal Positional Encoding for Link Prediction
Venue: Conference ICML 2025
Year: 2025

Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art works to record the canonical position information. However, the current positional encoding is limited in three aspects: (1) most positional encoding methods use pre-defined, and fixed functions, which are inadequate to adapt to the complex attributed graphs; (2) a few pioneering works proposed the learnable positional encoding but are still limited to the structural information, not considering the real-world time-evolving topological and feature information; (3) most positional encoding methods are equipped with transformers' attention mechanism to fully leverage their capabilities, where the dense or relational attention is often unaffordable on large-scale structured data. Hence, we aim to develop Learnable Spatial-Temporal Positional Encoding in an effective and efficient manner and propose a simple temporal link prediction model named L-STEP. Briefly, for L-STEP, we (1) prove the proposed positional learning scheme can preserve the graph property from the spatial-temporal spectral viewpoint, (2) verify that MLPs can fully exploit the expressiveness and reach transformers' performance on that encoding, (3) change different initial positional encoding inputs to show robustness, (4) analyze the theoretical complexity and obtain less empirical running time than SOTA, and (5) demonstrate its temporal link prediction out-performance on 13 classic datasets and with 10 algorithms in both transductive and inductive settings using 3 different sampling strategies. Also, L-STEP obtains the leading performance in the newest large-scale TGB benchmark. Our code is available at https://github.com/kthrn22/L-STEP.
Accelerating LLM Inference with Lossless Speculative Decoding Algorithms for Heterogeneous Vocabularies
Venue: Conference ICML 2025
Year: 2025

Accelerating the inference of large language models (LLMs) is a critical challenge in generative AI. Speculative decoding (SD) methods offer substantial efficiency gains by generating multiple tokens using a single target forward pass. However, existing SD approaches require the drafter and target models to share the same vocabulary, thus limiting the pool of possible drafters, often necessitating the training of a drafter from scratch. We present three new SD methods that remove this shared-vocabulary constraint. All three methods preserve the target distribution (i.e., they are lossless) and work with off-the-shelf models without requiring additional training or modifications. Empirically, on summarization, programming, and long-context tasks, our algorithms demonstrate significant speedups of up to 2.8x over standard autoregressive decoding. By enabling any off-the-shelf model to serve as a drafter and requiring no retraining, this work substantially broadens the applicability of the SD framework in practice.
New Bounds for Sparse Variational Gaussian Processes
Venue: Conference ICML 2025
Year: 2025

Sparse variational Gaussian processes (GPs) construct tractable posterior approximations to GP models. At the core of these methods is the assumption that the true posterior distribution over training function values ${\bf f}$ and inducing variables ${\bf u}$ is approximated by a variational distribution that incorporates the conditional GP prior $p({\bf f} | {\bf u})$ in its factorization. While this assumption is considered as fundamental, we show that for model training we can relax it through the use of a more general variational distribution $q({\bf f} | {\bf u})$ that depends on $N$ extra parameters, where $N$ is the number of training examples. In GP regression, we can analytically optimize the evidence lower bound over the extra parameters and express a tractable collapsed bound that is tighter than the previous bound. The new bound is also amenable to stochastic optimization and its implementation requires minor modifications to existing sparse GP code. Further, we also describe extensions to non-Gaussian likelihoods. On several datasets we demonstrate that our method can reduce bias when learning the hyperparameters and can lead to better predictive performance.
Latent Mamba Operator for Partial Differential Equations
Venue: Conference ICML 2025
Year: 2025

Neural operators have emerged as powerful data-driven frameworks for solving Partial Differential Equations (PDEs), offering significant speedups over numerical methods. However, existing neural operators struggle with scalability in high-dimensional spaces, incur high computational costs, and face challenges in capturing continuous and long-range dependencies in PDE dynamics. To address these limitations, we introduce the Latent Mamba Operator (LaMO), which integrates the efficiency of state-space models (SSMs) in latent space with the expressive power of kernel integral formulations in neural operators. We also establish a theoretical connection between state-space models (SSMs) and the kernel integral of neural operators. Extensive experiments across diverse PDE benchmarks on regular grids, structured meshes, and point clouds covering solid and fluid physics datasets, LaMOs achieve consistent state-of-the-art (SOTA) performance, with a 32.3% improvement over existing baselines in solution operator approximation, highlighting its efficacy in modeling complex PDE solutions.
QuantSpec: Self-Speculative Decoding with Hierarchical Quantized KV Cache
Venue: Conference ICML 2025
Year: 2025

Large Language Models (LLMs) are increasingly being deployed on edge devices for long-context settings, creating a growing need for fast and efficient long-context inference. In these scenarios, the Key-Value (KV) cache is the primary bottleneck in terms of both GPU memory and latency, as the full KV cache must be loaded for each decoding step. While speculative decoding is a widely accepted technique to accelerate autoregressive decoding, existing methods often struggle to achieve significant speedups due to inefficient KV cache optimization strategies and result in low acceptance rates. To address these challenges, we propose a novel self-speculative decoding framework, QuantSpec, where the draft model shares the architecture of the target model but employs a hierarchical 4-bit quantized KV cache and 4-bit quantized weights for acceleration. QuantSpec maintains high acceptance rates ($>$90%) and reliably provides consistent end-to-end speedups upto $\sim2.5\times$, outperforming other self-speculative decoding methods that use sparse KV cache for long-context LLM inference. QuantSpec also reduces the memory requirements by $\sim 1.3\times$ compared to these alternatives.
LangDAug: Langevin Data Augmentation for Multi-Source Domain Generalization in Medical Image Segmentation
Venue: Conference ICML 2025
Year: 2025

Medical image segmentation models often struggle to generalize across different domains due to various reasons. Domain Generalization (DG) methods overcome this either through representation learning or data augmentation (DAug). While representation learning methods seek domain-invariant features, they often rely on ad-hoc techniques and lack formal guarantees. DAug methods, which enrich model representations through synthetic samples, have shown comparable or superior performance to representation learning approaches. We propose LangDAug, a novel $\textbf{Lang}$evin $\textbf{D}$ata $\textbf{Aug}$mentation for multi-source domain generalization in 2D medical image segmentation. LangDAug leverages Energy-Based Models (EBMs) trained via contrastive divergence to traverse between source domains, generating intermediate samples through Langevin dynamics. Theoretical analysis shows that LangDAug induces a regularization effect, and for GLMs, it upper-bounds the Rademacher complexity by the intrinsic dimensionality of the data manifold. Through extensive experiments on Fundus segmentation and 2D MRI prostate segmentation benchmarks, we show that LangDAug outperforms state-of-the-art domain generalization methods and effectively complements existing domain-randomization approaches. The codebase for our method is available at https://github.com/backpropagator/LangDAug.
Understanding the Emergence of Multimodal Representation Alignment
Venue: Conference ICML 2025
Year: 2025

Multimodal representation learning is fundamentally about transforming incomparable modalities into comparable representations. While prior research primarily focused on explicitly aligning these representations through targeted learning objectives and model architectures, a recent line of work has found that independently trained unimodal models of increasing scale and performance can become implicitly aligned with each other. These findings raise fundamental questions regarding the emergence of aligned representations in multimodal learning. Specifically: (1) when and why does alignment emerge implicitly? and (2) is alignment a reliable indicator of performance? Through a comprehensive empirical investigation, we demonstrate that both the emergence of alignment and its relationship with task performance depend on several critical data characteristics. These include, but are not necessarily limited to, the degree of similarity between the modalities and the balance between redundant and unique information they provide for the task. Our findings suggest that alignment may not be universally beneficial; rather, its impact on performance varies depending on the dataset and task. These insights can help practitioners determine whether increasing alignment between modalities is advantageous or, in some cases, detrimental to achieving optimal performance. Code is released at https://github.com/MeganTj/multimodal_alignment.
Diverse Prototypical Ensembles Improve Robustness to Subpopulation Shift
Venue: Conference ICML 2025
Year: 2025

The subpopulationtion shift, characterized by a disparity in subpopulation distributibetween theween the training and target datasets, can significantly degrade the performance of machine learning models. Current solutions to subpopulation shift involve modifying empirical risk minimization with re-weighting strategies to improve generalization. This strategy relies on assumptions about the number and nature of subpopulations and annotations on group membership, which are unavailable for many real-world datasets. Instead, we propose using an ensemble of diverse classifiers to adaptively capture risk associated with subpopulations. Given a feature extractor network, we replace its standard linear classification layer with a mixture of prototypical classifiers, where each member is trained to classify the data while focusing on different features and samples from other members. In empirical evaluation on nine real-world datasets, covering diverse domains and kinds of subpopulation shift, our method of Diverse Prototypical Ensembles (DPEs) often outperforms the prior state-of-the-art in worst-group accuracy. The code is available at https://github.com/minhto2802/dpe4subpop
Understanding Chain-of-Thought in LLMs through Information Theory
Venue: Conference ICML 2025
Year: 2025

Large Language Models (LLMs) have shown impressive performance in complex reasoning tasks through the use of Chain-of-Thought (CoT) reasoning, allowing models to break down problems into manageable sub-tasks. However, existing CoT evaluation techniques either require annotated CoT data or fall short in accurately assessing intermediate reasoning steps, leading to high rates of false positives. In this paper, we formalize CoT reasoning in LLMs through an information-theoretic lens. Specifically, our framework quantifies the `information-gain' at each reasoning step, enabling the identification of failure modes in LLMs without the need for expensive annotated datasets. We demonstrate the efficacy of our approach through extensive experiments on toy arithmetic, GSM8K and PRM800k datasets, where it significantly outperforms existing outcome-based methods by providing more accurate insights into model performance on individual subtasks.
Efficient Motion Prompt Learning for Robust Visual Tracking
Venue: Conference ICML 2025
Year: 2025

Due to the challenges of processing temporal information, most trackers depend solely on visual discriminability and overlook the unique temporal coherence of video data. In this paper, we propose a lightweight and plug-and-play motion prompt tracking method. It can be easily integrated into existing vision-based trackers to build a joint tracking framework leveraging both motion and vision cues, thereby achieving robust tracking through efficient prompt learning. A motion encoder with three different positional encodings is proposed to encode the long-term motion trajectory into the visual embedding space, while a fusion decoder and an adaptive weight mechanism are designed to dynamically fuse visual and motion features. We integrate our motion module into three different trackers with five models in total. Experiments on seven challenging tracking benchmarks demonstrate that the proposed motion module significantly improves the robustness of vision-based trackers, with minimal training costs and negligible speed sacrifice. Code is available at https://github.com/zj5559/Motion-Prompt-Tracking.
Adapter Naturally Serves as Decoupler for Cross-Domain Few-Shot Semantic Segmentation
Venue: Conference ICML 2025
Year: 2025

Cross-domain few-shot segmentation (CD-FSS) is proposed to pre-train the model on a source-domain dataset with sufficient samples, and then transfer the model to target-domain datasets where only a few samples are available for efficient fine-tuning. There are majorly two challenges in this task: (1) the domain gap and (2) fine-tuning with scarce data. To solve these challenges, we revisit the adapter-based methods, and discover an intriguing insight not explored in previous works: the adapter not only helps the fine-tuning of downstream tasks but also naturally serves as a domain information decoupler. Then, we delve into this finding for an interpretation, and find the model's inherent structure could lead to a natural decoupling of domain information. Building upon this insight, we propose the Domain Feature Navigator (DFN), which is a structure-based decoupler instead of loss-based ones like current works, to capture domain-specific information, thereby directing the model's attention towards domain-agnostic knowledge. Moreover, to prevent the potential excessive overfitting of DFN during the source-domain training, we further design the SAM-SVN method to constrain DFN from learning sample-specific knowledge. On target domains, we freeze the model and fine-tune the DFN to learn target-specific knowledge specific. Extensive experiments demonstrate that our method surpasses the state-of-the-art method in CD-FSS significantly by 2.69% and 4.68% MIoU in 1-shot and 5-shot scenarios, respectively.
Self-Disentanglement and Re-Composition for Cross-Domain Few-Shot Segmentation
Venue: Conference ICML 2025
Year: 2025

Cross-Domain Few-Shot Segmentation (CD-FSS) aims to transfer knowledge from a source-domain dataset to unseen target-domain datasets with limited annotations. Current methods typically compare the distance between training and testing samples for mask prediction. However, we find an entanglement problem exists in this widely adopted method, which tends to bind sourcedomain patterns together and make each of them hard to transfer. In this paper, we aim to address this problem for the CD-FSS task. We first find a natural decomposition of the ViT structure, based on which we delve into the entanglement problem for an interpretation. We find the decomposed ViT components are crossly compared between images in distance calculation, where the rational comparisons are entangled with those meaningless ones by their equal importance, leading to the entanglement problem. Based on this interpretation, we further propose to address the entanglement problem by learning to weigh for all comparisons of ViT components, which learn disentangled features and re-compose them for the CD-FSS task, benefiting both the generalization and finetuning. Experiments show that our model outperforms the state-of-the-art CD-FSS method by 1.92% and 1.88% in average accuracy under 1-shot and 5-shot settings, respectively.
Accelerating Spectral Clustering under Fairness Constraints
Venue: Conference ICML 2025
Year: 2025

Fairness of decision-making algorithms is an increasingly important issue. In this paper, we focus on spectral clustering with group fairness constraints, where every demographic group is represented in each cluster proportionally as in the general population. We present a new efficient method for fair spectral clustering (Fair SC) by casting the Fair SC problem within the difference of convex functions (DC) framework. To this end, we introduce a novel variable augmentation strategy and employ an alternating direction method of multipliers type of algorithm adapted to DC problems. We show that each associated subproblem can be solved efficiently, resulting in higher computational efficiency compared to prior work, which required a computationally expensive eigendecomposition. Numerical experiments demonstrate the effectiveness of our approach on both synthetic and real-world benchmarks, showing significant speedups in computation time over prior art, especially as the problem size grows. This work thus represents a considerable step forward towards the adoption of fair clustering in real-world applications.
Identifying Causal Direction via Variational Bayesian Compression
Venue: Conference ICML 2025
Year: 2025

Telling apart the cause and effect between two random variables with purely observational data is a challenging problem that finds applications in various scientific disciplines. A key principle utilized in this task is the algorithmic Markov condition, which postulates that the joint distribution, when factorized according to the causal direction, yields a more succinct codelength compared to the anti-causal direction. Previous approaches approximate these codelengths by relying on simple functions or Gaussian processes (GPs) with easily evaluable complexity, compromising between model fitness and computational complexity. To address these limitations, we propose leveraging the variational Bayesian learning of neural networks as an interpretation of the codelengths. This allows the improvement of model fitness, while maintaining the succinctness of the codelengths, and the avoidance of the significant computational complexity of the GP-based approaches. Extensive experiments on both synthetic and real-world benchmarks in cause-effect identification demonstrate the effectiveness of our proposed method, showing promising performance enhancements on several datasets in comparison to most related methods.
Tree-Sliced Wasserstein Distance: A Geometric Perspective
Venue: Conference ICML 2025
Year: 2025

Many variants of Optimal Transport (OT) have been developed to address its heavy computation. Among them, notably, Sliced Wasserstein (SW) is widely used for application domains by projecting the OT problem onto one-dimensional lines, and leveraging the closed-form expression of the univariate OT to reduce the computational burden. However, projecting measures onto low-dimensional spaces can lead to a loss of topological information. To mitigate this issue, in this work, we propose to replace one-dimensional lines with a more intricate structure, called tree systems. This structure is metrizable by a tree metric, which yields a closed-form expression for OT problems on tree systems. We provide an extensive theoretical analysis to formally define tree systems with their topological properties, introduce the concept of splitting maps, which operate as the projection mechanism onto these structures, then finally propose a novel variant of Radon transform for tree systems and verify its injectivity. This framework leads to an efficient metric between measures, termed Tree-Sliced Wasserstein distance on Systems of Lines (TSW-SL). By conducting a variety of experiments on gradient flows, image style transfer, and generative models, we illustrate that our proposed approach performs favorably compared to SW and its variants.
Tree-Sliced Wasserstein Distance with Nonlinear Projection
Venue: Conference ICML 2025
Year: 2025

Tree-Sliced methods have recently emerged as an alternative to the traditional Sliced Wasserstein (SW) distance, replacing one-dimensional lines with tree-based metric spaces and incorporating a splitting mechanism for projecting measures. This approach enhances the ability to capture the topological structures of integration domains in Sliced Optimal Transport while maintaining low computational costs. Building on this foundation, we propose a novel nonlinear projectional framework for the Tree-Sliced Wasserstein (TSW) distance, substituting the linear projections in earlier versions with general projections, while ensuring the injectivity of the associated Radon Transform and preserving the well-definedness of the resulting metric. By designing appropriate projections, we construct efficient metrics for measures on both Euclidean spaces and spheres. Finally, we validate our proposed metric through extensive numerical experiments for Euclidean and spherical datasets. Applications include gradient flows, self-supervised learning, and generative models, where our methods demonstrate significant improvements over recent SW and TSW variants.