OpenRaiser/Intern-Atlas huggingface dataset:
Arbitrarily-Conditioned Multi-Functional Diffusion for Multi-Physics Emulation
Venue: Conference ICML 2025
Year: 2025

Modern physics simulation often involves multiple functions of interests, and traditional numerical approaches are known to be complex and computationally costly. While machine learning-based surrogate models can offer significant cost reductions, most focus on a single task, such as forward prediction, and typically lack uncertainty quantification -- an essential component in many applications. To overcome these limitations, we propose Arbitrarily-Conditioned Multi-Functional Diffusion (ACM-FD), a versatile probabilistic surrogate model for multi-physics emulation. ACM-FD can perform a wide range of tasks within a single framework, including forward prediction, various inverse problems, and simulating data for entire systems or subsets of quantities conditioned on others. Specifically, we extend the standard Denoising Diffusion Probabilistic Model (DDPM) for multi-functional generation by modeling noise as Gaussian processes (GP). We propose a random-mask based, zero-regularized denoising loss to achieve flexible and robust conditional generation. We induce a Kronecker product structure in the GP covariance matrix, substantially reducing the computational cost and enabling efficient training and sampling. We demonstrate the effectiveness of ACM-FD across several fundamental multi-physics systems.
OV-MER: Towards Open-Vocabulary Multimodal Emotion Recognition
Venue: Conference ICML 2025
Year: 2025

Multimodal Emotion Recognition (MER) is a critical research area that seeks to decode human emotions from diverse data modalities. However, existing machine learning methods predominantly rely on predefined emotion taxonomies, which fail to capture the inherent complexity, subtlety, and multi-appraisal nature of human emotional experiences, as demonstrated by studies in psychology and cognitive science. To overcome this limitation, we advocate for introducing the concept of open vocabulary into MER. This paradigm shift aims to enable models to predict emotions beyond a fixed label space, accommodating a flexible set of categories to better reflect the nuanced spectrum of human emotions. To achieve this, we propose a novel paradigm: Open-Vocabulary MER (OV-MER), which enables emotion prediction without being confined to predefined spaces. However, constructing a dataset that encompasses the full range of emotions for OV-MER is practically infeasible; hence, we present a comprehensive solution including a newly curated database, novel evaluation metrics, and a preliminary benchmark. By advancing MER from basic emotions to more nuanced and diverse emotional states, we hope this work can inspire the next generation of MER, enhancing its generalizability and applicability in real-world scenarios. Code and dataset are available at: https://github.com/zeroQiaoba/AffectGPT.
Contour Integration Underlies Human-Like Vision
Venue: Conference ICML 2025
Year: 2025

Despite the tremendous success of deep learning in computer vision, models still fall behind humans in generalizing to new input distributions. Existing benchmarks do not investigate the specific failure points of models by analyzing performance under many controlled conditions. Our study systematically dissects where and why models struggle with contour integration -- a hallmark of human vision -- by designing an experiment that tests object recognition under various levels of object fragmentation. Humans (n=50) perform at high accuracy, even with few object contours present. This is in contrast to models which exhibit substantially lower sensitivity to increasing object contours, with most of the over 1,000 models we tested barely performing above chance. Only at very large scales ($\sim5B$ training dataset size) do models begin to approach human performance. Importantly, humans exhibit an integration bias -- a preference towards recognizing objects made up of directional fragments over directionless fragments. We find that not only do models that share this property perform better at our task, but that this bias also increases with model training dataset size, and training models to exhibit contour integration leads to high shape bias. Taken together, our results suggest that contour integration is a hallmark of object vision that underlies object recognition performance, and may be a mechanism learned from data at scale.
SAE-V: Interpreting Multimodal Models for Enhanced Alignment
Venue: Conference ICML 2025
Year: 2025

With the integration of image modality, the semantic space of multimodal large language models (MLLMs) is more complex than text-only models, making their interpretability more challenging and their alignment less stable, particularly susceptible to low-quality data, which can lead to inconsistencies between modalities, hallucinations, and biased outputs. As a result, developing interpretability methods for MLLMs is crucial for improving alignment quality and efficiency. In text-only LLMs, Sparse Autoencoders (SAEs) have gained attention for their ability to interpret latent representations. However, extending SAEs to multimodal settings presents new challenges due to modality fusion and the difficulty of isolating cross-modal representations. To address these challenges, we introduce SAE-V, a mechanistic interpretability framework that extends the SAE paradigm to MLLMs. By identifying and analyzing interpretable features along with their corresponding data, SAE-V enables fine-grained interpretation of both model behavior and data quality, facilitating a deeper understanding of cross-modal interactions and alignment dynamics. Moreover, by utilizing cross-modal feature weighting, SAE-V provides an intrinsic data filtering mechanism to enhance model alignment without requiring additional models. Specifically, when applied to the alignment process of MLLMs, SAE-V-based data filtering methods could achieve more than 110% performance with less than 50% data. Our results highlight SAE-V's ability to enhance interpretability and alignment in MLLMs, providing insights into their internal mechanisms.
Complex Wavelet Mutual Information Loss: A Multi-Scale Loss Function for Semantic Segmentation
Venue: Conference ICML 2025
Year: 2025

Recent advancements in deep neural networks have significantly enhanced the performance of semantic segmentation. However, class imbalance and instance imbalance remain persistent challenges, where smaller instances and thin boundaries are often overshadowed by larger structures. To address the multiscale nature of segmented objects, various models have incorporated mechanisms such as spatial attention and feature pyramid networks. Despite these advancements, most loss functions are still primarily pixel-wise, while regional and boundary-focused loss functions often incur high computational costs or are restricted to small-scale regions. To address this limitation, we propose the complex wavelet mutual information (CWMI) loss, a novel loss function that leverages mutual information from subband images decomposed by a complex steerable pyramid. The complex steerable pyramid captures features across multiple orientations and preserves structural similarity across scales. Meanwhile, mutual information is well-suited to capturing high-dimensional directional features and offers greater noise robustness. Extensive experiments on diverse segmentation datasets demonstrate that CWMI loss achieves significant improvements in both pixel-wise accuracy and topological metrics compared to state-of-the-art methods, while introducing minimal computational overhead. Our code is available at https://github.com/lurenhaothu/CWMI
Navigating Conflicting Views: Harnessing Trust for Learning
Venue: Conference ICML 2025
Year: 2025

Resolving conflicts is critical for improving the reliability of multi-view classification. While prior work focuses on learning consistent and informative representations across views, it often assumes perfect alignment and equal importance of all views, an assumption rarely met in real-world scenarios, as some views may express distinct information. To address this, we develop a computational trust-based discounting method that enhances the Evidential Multi-view framework by accounting for the instance-wise reliability of each view through a probability-sensitive trust mechanism. We evaluate our method on six real-world datasets using Top-1 Accuracy, Fleiss' Kappa, and a new metric, Multi-View Agreement with Ground Truth, to assess prediction reliability. We also assess the effectiveness of uncertainty in indicating prediction correctness via AUROC. Additionally, we test the scalability of our method through end-to-end training on a large-scale dataset. The experimental results show that computational trust can effectively resolve conflicts, paving the way for more reliable multi-view classification models in real-world applications. Codes available at: https://github.com/OverfitFlow/Trust4Conflict
Towards Practical Defect-Focused Automated Code Review
Venue: Conference ICML 2025
Year: 2025

The complexity of code reviews has driven efforts to automate review comments, but prior approaches oversimplify this task by treating it as snippet-level code-to-text generation and relying on text similarity metrics like BLEU for evaluation. These methods overlook repository context, real-world merge request evaluation, and defect detection, limiting their practicality. To address these issues, we explore the full automation pipeline within the online recommendation service of a company with nearly 400 million daily active users, analyzing industry-grade C++ codebases comprising hundreds of thousands of lines of code. We identify four key challenges: 1) capturing relevant context, 2) improving key bug inclusion (KBI), 3) reducing false alarm rates (FAR), and 4) integrating human workflows. To tackle these, we propose 1) code slicing algorithms for context extraction, 2) a multi-role LLM framework for KBI, 3) a filtering mechanism for FAR reduction, and 4) a novel prompt design for better human interaction. Our approach, validated on real-world merge requests from historical fault reports, achieves a 2x improvement over standard LLMs and a 10x gain over previous baselines. While the presented results focus on C++, the underlying framework design leverages language-agnostic principles (e.g., AST-based analysis), suggesting potential for broader applicability.
Habitizing Diffusion Planning for Efficient and Effective Decision Making
Venue: Conference ICML 2025
Year: 2025

Diffusion models have shown great promise in decision-making, also known as diffusion planning. However, the slow inference speeds limit their potential for broader real-world applications. Here, we introduce Habi, a general framework that transforms powerful but slow diffusion planning models into fast decision-making models, which mimics the cognitive process in the brain that costly goal-directed behavior gradually transitions to efficient habitual behavior with repetitive practice. Even using a laptop CPU, the habitized model can achieve an average 800+ Hz decision-making frequency (faster than previous diffusion planners by orders of magnitude) on standard offline reinforcement learning benchmarks D4RL, while maintaining comparable or even higher performance compared to its corresponding diffusion planner. Our work proposes a fresh perspective of leveraging powerful diffusion models for real-world decision-making tasks. We also provide robust evaluations and analysis, offering insights from both biological and engineering perspectives for efficient and effective decision-making.
System-Aware Unlearning Algorithms: Use Lesser, Forget Faster
Venue: Conference ICML 2025
Year: 2025

Machine unlearning addresses the problem of updating a machine learning model/system trained on a dataset $S$ so that the influence of a set of deletion requests $U \subseteq S$ on the unlearned model is minimized. The gold standard definition of unlearning demands that the updated model, after deletion, be nearly identical to the model obtained by retraining. This definition is designed for a worst-case attacker (one who can recover not only the unlearned model but also the remaining data samples, i.e., $S \setminus U$). Such a stringent definition has made developing efficient unlearning algorithms challenging. However, such strong attackers are also unrealistic. In this work, we propose a new definition, system-aware unlearning, which aims to provide unlearning guarantees against an attacker that can at best only gain access to the data stored in the system for learning/unlearning requests and not all of $S\setminus U$. With this new definition, we use the simple intuition that if a system can store less to make its learning/unlearning updates, it can be more secure and update more efficiently against a system-aware attacker. Towards that end, we present an exact system-aware unlearning algorithm for linear classification using a selective sampling-based approach, and we generalize the method for classification with general function classes. We theoretically analyze the tradeoffs between deletion capacity, accuracy, memory, and computation time.
Smoothed Preference Optimization via ReNoise Inversion for Aligning Diffusion Models with Varied Human Preferences
Venue: Conference ICML 2025
Year: 2025

Direct Preference Optimization (DPO) aligns text-to-image (T2I) generation models with human preferences using pairwise preference data. Although substantial resources are expended in collecting and labeling datasets, a critical aspect is often neglected: \textit{preferences vary across individuals and should be represented with more granularity.} To address this, we propose SmPO-Diffusion, a novel method for modeling preference distributions to improve the DPO objective, along with a numerical upper bound estimation for the diffusion optimization objective. First, we introduce a smoothed preference distribution to replace the original binary distribution. We employ a reward model to simulate human preferences and apply preference likelihood averaging to improve the DPO loss, such that the loss function approaches zero when preferences are similar. Furthermore, we utilize an inversion technique to simulate the trajectory preference distribution of the diffusion model, enabling more accurate alignment with the optimization objective. Our approach effectively mitigates issues of excessive optimization and objective misalignment present in existing methods through straightforward modifications. Our SmPO-Diffusion achieves state-of-the-art performance in preference evaluation, outperforming baselines across metrics with lower training costs. The project page is https://jaydenlyh.github.io/SmPO-project-page/.
DAMA: Data- and Model-aware Alignment of Multi-modal LLMs
Venue: Conference ICML 2025
Year: 2025

Direct Preference Optimization (DPO) has shown effectiveness in aligning multi-modal large language models (MLLM) with human preferences. However, existing methods exhibit an imbalanced responsiveness to the data of varying hardness, tending to overfit on the easy-to-distinguish data while underfitting on the hard-to-distinguish data. In this paper, we propose Data- and Model-aware DPO (DAMA) to dynamically adjust the optimization process from two key aspects: (1) a data-aware strategy that incorporates data hardness, and (2) a model-aware strategy that integrates real-time model responses. By combining the two strategies, DAMA enables the model to effectively adapt to data with varying levels of hardness. Extensive experiments on five benchmarks demonstrate that DAMA not only significantly enhances the trustworthiness, but also improves the effectiveness over general tasks. For instance, on the Object-HalBench, our DAMA-7B reduces response-level and mentioned-level hallucination by 90.0% and 95.3%, respectively, surpassing the performance of GPT-4V.
Stochastic Forward-Backward Deconvolution: Training Diffusion Models with Finite Noisy Datasets
Venue: Conference ICML 2025
Year: 2025

Recent diffusion-based generative models achieve remarkable results by training on massive datasets, yet this practice raises concerns about memorization and copyright infringement. A proposed remedy is to train exclusively on noisy data with potential copyright issues, ensuring the model never observes original content. However, through the lens of deconvolution theory, we show that although it is theoretically feasible to learn the data distribution from noisy samples, the practical challenge of collecting sufficient samples makes successful learning nearly unattainable. To overcome this limitation, we propose to pretrain the model with a small fraction of clean data to guide the deconvolution process. Combined with our Stochastic Forward--Backward Deconvolution (SFBD) method, we attain FID 6.31 on CIFAR-10 with just 4% clean images (and 3.58 with 10%). We also provide theoretical guarantees that SFBD learns the true data distribution. These results underscore the value of limited clean pretraining, or pretraining on similar datasets. Empirical studies further validate and enrich our findings.
OptMATH: A Scalable Bidirectional Data Synthesis Framework for Optimization Modeling
Venue: Conference ICML 2025
Year: 2025

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.
Rethinking the Stability-Plasticity Trade-off in Continual Learning from an Architectural Perspective
Venue: Conference ICML 2025
Year: 2025

The quest for Continual Learning (CL) seeks to empower neural networks with the ability to learn and adapt incrementally. Central to this pursuit is addressing the stability-plasticity dilemma, which involves striking a balance between two conflicting objectives: preserving previously learned knowledge and acquiring new knowledge. While numerous CL methods aim to achieve this trade-off, they often overlook the impact of network architecture on stability and plasticity, restricting the trade-off to the parameter level. In this paper, we delve into the conflict between stability and plasticity at the architectural level. We reveal that under an equal parameter constraint, deeper networks exhibit better plasticity, while wider networks are characterized by superior stability. To address this architectural-level dilemma, we introduce a novel framework denoted Dual-Arch, which serves as a plug-in component for CL. This framework leverages the complementary strengths of two distinct and independent networks: one dedicated to plasticity and the other to stability. Each network is designed with a specialized and lightweight architecture, tailored to its respective objective. Extensive experiments demonstrate that Dual-Arch enhances the performance of existing CL methods while being up to 87% more compact in terms of parameters. Code: https://github.com/byyx666/Dual-Arch.
LLaVA-ReID: Selective Multi-image Questioner for Interactive Person Re-Identification
Venue: Conference ICML 2025
Year: 2025

Traditional text-based person ReID assumes that person descriptions from witnesses are complete and provided at once. However, in real-world scenarios, such descriptions are often partial or vague. To address this limitation, we introduce a new task called interactive person re-identification (Inter-ReID). Inter-ReID is a dialogue-based retrieval task that iteratively refines initial descriptions through ongoing interactions with the witnesses. To facilitate the study of this new task, we construct a dialogue dataset that incorporates multiple types of questions by decomposing fine-grained attributes of individuals. We further propose LLaVA-ReID, a question model that generates targeted questions based on visual and textual contexts to elicit additional details about the target person. Leveraging a looking-forward strategy, we prioritize the most informative questions as supervision during training. Experimental results on both Inter-ReID and text-based ReID benchmarks demonstrate that LLaVA-ReID significantly outperforms baselines.
ToMA: Token Merge with Attention for Diffusion Models
Venue: Conference ICML 2025
Year: 2025

Diffusion models excel in high-fidelity image generation but face scalability limits due to transformers' quadratic attention complexity. Plug-and-play token reduction methods like ToMeSD and ToFu reduce FLOPs by merging redundant tokens in generated images but rely on GPU-inefficient operations (e.g., sorting, scattered writes), introducing overheads that negate theoretical speedups when paired with optimized attention implementations (e.g., FlashAttention). To bridge this gap, we propose Token Merge with Attention (ToMA), an off-the-shelf method that redesigns token reduction for GPU-aligned efficiency, with three key contributions: 1) a reformulation of token merge as a submodular optimization problem to select diverse tokens; 2) merge/unmerge as an attention-like linear transformation via GPU-friendly matrix operations; and 3) exploiting latent locality and sequential redundancy (pattern reuse) to minimize overhead. ToMA reduces SDXL/Flux generation latency by 24%/23%, respectively (with DINO $Δ< 0.07$), outperforming prior methods. This work bridges the gap between theoretical and practical efficiency for transformers in diffusion. Code available at https://github.com/WenboLuu/ToMA.
Feedforward Few-shot Species Range Estimation
Venue: Conference ICML 2025
Year: 2025

Knowing where a particular species can or cannot be found on Earth is crucial for ecological research and conservation efforts. By mapping the spatial ranges of all species, we would obtain deeper insights into how global biodiversity is affected by climate change and habitat loss. However, accurate range estimates are only available for a relatively small proportion of all known species. For the majority of the remaining species, we typically only have a small number of records denoting the spatial locations where they have previously been observed. We outline a new approach for few-shot species range estimation to address the challenge of accurately estimating the range of a species from limited data. During inference, our model takes a set of spatial locations as input, along with optional metadata such as text or an image, and outputs a species encoding that can be used to predict the range of a previously unseen species in a feedforward manner. We evaluate our approach on two challenging benchmarks, where we obtain state-of-the-art range estimation performance, in a fraction of the compute time, compared to recent alternative approaches.