ICML 2025 论文列表

Contrastive learning has achieved remarkable success in learning effective representations, with supervised contrastive learning often outperforming self-supervised approaches. However, in real-world scenarios, data annotations are often ambiguous or inaccurate, meaning that class labels may not reliably indicate whether two examples belong to the same class. This limitation restricts the applicability of supervised contrastive learning. To address this challenge, we introduce the concept of ``continuous semantic similarity'' to define positive and negative pairs. Instead of directly relying on imprecise class labels, we measure the semantic similarity between example pairs, which quantifies how closely they belong to the same category by iteratively refining weak supervisory signals. Based on this concept, we propose a graph-theoretic framework for weakly-supervised contrastive learning, where semantic similarity serves as the graph weights. Our framework is highly versatile and can be applied to many weakly-supervised learning scenarios. We demonstrate its effectiveness through experiments in two common settings, i.e., noisy label and partial label learning, where existing methods can be easily integrated to significantly improve performance. Theoretically, we establish an error bound for our approach, showing that it can approximate supervised contrastive learning under mild conditions. The implementation code is available at [https://github.com/Speechless-10308/WSC](https://github.com/Speechless-10308/WSC).

Pseudo-labeling is a widely used strategy in semi-supervised learning. Existing methods typically select predicted labels with high confidence scores and high training stationarity, as pseudo-labels to augment training sets. In contrast, this paper explores the pseudo-labeling potential of predicted labels that **do not** exhibit these characteristics. We discover a new type of predicted labels suitable for pseudo-labeling, termed *two-phase labels*, which exhibit a two-phase pattern during training: *they are initially predicted as one category in early training stages and switch to another category in subsequent epochs.* Case studies show the two-phase labels are informative for decision boundaries. To effectively identify the two-phase labels, we design a 2-*phasic* metric that mathematically characterizes their spatial and temporal patterns. Furthermore, we propose a loss function tailored for two-phase pseudo-labeling learning, allowing models not only to learn correct correlations but also to eliminate false ones. Extensive experiments on eight datasets show that **our proposed 2-*phasic* metric acts as a powerful booster** for existing pseudo-labeling methods by additionally incorporating the two-phase labels, achieving an average classification accuracy gain of 1.73% on image datasets and 1.92% on graph datasets.

Recent advancements have integrated various deep-learning methodologies into physical design, aiming for workflows acceleration and surpasses human-devised solutions. However, prior research has primarily concentrated on developing task-specific networks, which necessitate a significant investment of time to construct large, specialized datasets, and the unintended isolation of models across different tasks. In this paper, we introduce DeepLayout, the first general representation learning framework specifically designed for backend circuit design. To address the distinct characteristics of post-placement circuits, including topological connectivity and geometric distribution, we propose a hybrid encoding architecture that integrates GNN with spatial transformers. Additionally, the framework includes a flexible decoder module that accommodates a variety of task types, supporting multiple hierarchical outputs such as nets and layouts. To mitigate the high annotation costs associated with layout data, we introduce a mask-based self-supervised learning approach designed explicitly for layout representation. This strategy involves a carefully devised masking approach tailored to layout features, precise reconstruction guidance, and most critically—two key supervised learning tasks. We conduct extensive experiments on large-scale industrial datasets, demonstrating that DeepLayout surpasses state-of-the-art (SOTA) methods specialized for individual tasks on two crucial layout quality assessment benchmarks. The experiment results underscore the framework’s robust capability to learn the intrinsic properties of circuits.

This paper presents a novel approach to hyperspectral image (HSI) reconstruction from RGB images, addressing fundamental limitations in existing learning-based methods from a physical perspective. We discuss and aim to address the ``colorimetric dilemma": failure to consistently reproduce ground-truth RGB from predicted HSI, thereby compromising physical integrity and reliability in practical applications. To tackle this issue, we propose PhySpec, a physically consistent framework for robust HSI reconstruction. Our approach fundamentally exploits the intrinsic physical relationship between HSIs and corresponding RGBs by employing orthogonal subspace decomposition, which enables explicit estimation of camera spectral sensitivity (CSS). This ensures that our reconstructed spectra align with well-established physical principles, enhancing their reliability and fidelity. Moreover, to efficiently use internal information from test samples, we propose a self-supervised meta-auxiliary learning (MAXL) strategy that rapidly adapts the trained parameters to unseen samples using only a few gradient descent steps at test time, while simultaneously constraining the generated HSIs to accurately recover ground-truth RGB values. Thus, MAXL reinforces the physical integrity of the reconstruction process. Extensive qualitative and quantitative evaluations validate the efficacy of our proposed framework, showing superior performance compared to SOTA methods.

To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this position paper, we critically re-examine this popular family of OOD detection procedures, and we argue that these methods are fundamentally answering the wrong questions for OOD detection. There is no simple fix to this misalignment, since a classifier trained only on in-distribution classes cannot be expected to identify OOD points; for instance, a cat-dog classifier may confidently misclassify an airplane if it contains features that distinguish cats from dogs, despite generally appearing nothing alike. We find that uncertainty-based methods incorrectly conflate high uncertainty with being OOD, while feature-based methods incorrectly conflate far feature-space distance with being OOD. We show how these pathologies manifest as irreducible errors in OOD detection and identify common settings where these methods are ineffective. Additionally, interventions to improve OOD detection such as feature-logit hybrid methods, scaling of model and data size, epistemic uncertainty representation, and outlier exposure also fail to address this fundamental misalignment in objectives.

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.

Recovering human trajectories from incomplete or missing data is crucial for many mobility-based urban applications, e.g., urban planning, transportation, and location-based services. Existing methods mainly rely on recurrent neural networks or attention mechanisms. Though promising, they encounter limitations in capturing complex spatial-temporal dependencies in low-sampling trajectories. Recently, diffusion models show potential in content generation. However, most of proposed methods are used to generate contents in continuous numerical representations, which cannot be directly adapted to the human location trajectory recovery. In this paper, we introduce a conditional diffusion-based trajectory recovery method, namely, DiffMove. It first transforms locations in trajectories into the embedding space, in which the embedding denoising is performed, and then missing locations are recovered by an embedding decoder. DiffMove not only improves accuracy by introducing high-quality generative methods in the trajectory recovery, but also carefully models the transition, periodicity, and temporal patterns in human mobility. Extensive experiments based on two representative real-world mobility datasets are conducted, and the results show significant improvements (an average of 11% in recall) over the best baselines.

We present Self-Organizing Visual Prototypes (SOP), a new training technique for unsupervised visual feature learning. Unlike existing prototypical self-supervised learning (SSL) methods that rely on a single prototype to encode all relevant features of a hidden cluster in the data, we propose the SOP strategy. In this strategy, a prototype is represented by many semantically similar representations, or support embeddings (SEs), each containing a complementary set of features that together better characterize their region in space and maximize training performance. We reaffirm the feasibility of non-parametric SSL by introducing novel non-parametric adaptations of two loss functions that implement the SOP strategy. Notably, we introduce the SOP Masked Image Modeling (SOP-MIM) task, where masked representations are reconstructed from the perspective of multiple non-parametric local SEs. We comprehensively evaluate the representations learned using the SOP strategy on a range of benchmarks, including retrieval, linear evaluation, fine-tuning, and object detection. Our pre-trained encoders achieve state-of-the-art performance on many retrieval benchmarks and demonstrate increasing performance gains with more complex encoders.

In self-supervised contrastive learning, negative pairs are typically constructed using an anchor image and a sample drawn from the entire dataset, excluding the anchor. However, this approach can result in the creation of negative pairs with similar semantics, referred to as "false negatives", leading to their embeddings being falsely pushed apart. To address this issue, we introduce *GloFND*, an optimization-based approach that automatically learns on the fly the threshold for each anchor data to *identify* its false negatives during training. In contrast to previous methods for false negative discovery, our approach *globally* detects false negatives across the entire dataset rather than locally within the mini-batch. Moreover, its per-iteration computation cost remains independent of the dataset size. Experimental results on image and image-text data demonstrate the effectiveness of the proposed method. Our implementation is available at https://github.com/vibalcam/GloFND.

Self-supervised learning (SSL) allows training data representations without a supervised signal and has become an important paradigm in machine learning. Most SSL methods employ the cosine similarity between embedding vectors and hence effectively embed data on a hypersphere. While this seemingly implies that embedding norms cannot play any role in SSL, a few recent works have suggested that embedding norms have properties related to network convergence and confidence. In this paper, we resolve this apparent contradiction and systematically establish the embedding norm's role in SSL training. Using theoretical analysis, simulations, and experiments, we show that embedding norms (i) govern SSL convergence rates and (ii) encode network confidence, with smaller norms corresponding to unexpected samples. Additionally, we show that manipulating embedding norms can have large effects on convergence speed. Our findings demonstrate that SSL embedding norms are integral to understanding and optimizing network behavior.

We present a novel self-supervised feature learning method using Vision Transformers (ViT) as the backbone, specifically designed for object detection and instance segmentation. Our approach addresses the challenge of extracting features that capture both class and positional information, which are crucial for these tasks. The method introduces two key components: (1) a positional encoding tied to the cropping process in contrastive learning, which utilizes a novel vector field representation for positional embeddings; and (2) masking and prediction, similar to conventional Masked Image Modeling (MIM), applied in parallel to both content and positional embeddings of image patches. These components enable the effective learning of intertwined content and positional features. We evaluate our method against state-of-the-art approaches, pre-training on ImageNet-1K and fine-tuning on downstream tasks. Our method outperforms the state-of-the-art SSL methods on the COCO object detection benchmark, achieving significant improvements with fewer pre-training epochs. These results suggest that better integration of positional information into self-supervised learning can improve performance on the dense prediction tasks.

Federated Learning (FL) enables collaborative training with privacy preservation but is vulnerable to backdoor attacks, where malicious clients degrade model performance on targeted inputs. These attacks exploit FL decentralized nature, while existing defenses, based on isolated behaviors and fixed rules, can be bypassed by adaptive attackers. To address these limitations, we propose **SPMC**, a marginal collaboration defense mechanism that leverages intrinsic consistency across clients to estimate inter-client marginal contributions. This allows the system to dynamically reduce the influence of clients whose behavior deviates from the collaborative norm, thus maintaining robustness even as the number of attackers changes. In addition to overcoming proxy-dependent purification's weaknesses, we introduce a self-purification process that locally adjusts suspicious gradients. By aligning them with margin-based model updates, we mitigate the effect of local poisoning. Together, these two modules significantly improve the adaptability and resilience of FL systems, both at the client and server levels. Experimental results on a variety of classification benchmarks demonstrate that SPMC achieves strong defense performance against sophisticated backdoor attacks without sacrificing accuracy on benign tasks. The code is posted at: https://github.com/WenddHe0119/SPMC.

Significant efforts have been directed towards adapting self-supervised multimodal learning for Earth observation applications. However, most current methods produce coarse patch-sized embeddings, limiting their effectiveness and integration with other modalities like LiDAR. To close this gap, we present DUNIA, an approach to learn pixel-sized embeddings through cross-modal alignment between images and full-waveform LiDAR data. As the model is trained in a contrastive manner, the embeddings can be directly leveraged in the context of a variety of environmental monitoring tasks in a zero-shot setting. In our experiments, we demonstrate the effectiveness of the embeddings for seven such tasks: canopy height mapping, fractional canopy cover, land cover mapping, tree species identification, plant area index, crop type classification, and per-pixel waveform-based vertical structure mapping. The results show that the embeddings, along with zero-shot classifiers, often outperform specialized supervised models, even in low-data regimes. In the fine-tuning setting, we show strong performances near or better than the state-of-the-art on five out of six tasks.

We present a Transformer-based framework for Constraint Satisfaction Problems (CSPs). CSPs find use in many applications and thus accelerating their solution with machine learning is of wide interest. Most existing approaches rely on supervised learning from feasible solutions or reinforcement learning, paradigms that require either feasible solutions to these NP-Complete CSPs or large training budgets and a complex expert-designed reward signal. To address these challenges, we propose ConsFormer, a self-supervised framework that leverages a Transformer as a solution refiner. ConsFormer constructs a solution to a CSP iteratively in a process that mimics local search. Instead of using feasible solutions as labeled data, we devise differentiable approximations to the discrete constraints of a CSP to guide model training. Our model is trained to improve random assignments for a single step but is deployed iteratively at test time, circumventing the bottlenecks of supervised and reinforcement learning. Experiments on Sudoku, Graph Coloring, Nurse Rostering, and MAXCUT demonstrate that our method can tackle out-of-distribution CSPs simply through additional iterations.

The critical challenge of semi-supervised semantic segmentation lies in how to fully exploit a large volume of unlabeled data to improve the model's generalization performance for robust segmentation. Existing methods mainly rely on confidence-based scoring functions in the prediction space to filter pseudo labels, which suffer from the inherent trade-off between true and false positive rates. In this paper, we carefully design an agent construction strategy to build clean sets of correct (positive) and incorrect (negative) pseudo labels, and propose the Agent Score function (AgScore) to measure the consensus between candidate pixels and these sets. In this way, AgScore takes a step further to capture homogeneous patterns in the embedding space, conditioned on clean positive/negative agents stemming from the prediction space, without sacrificing the merits of confidence score, yielding better trad-off. We provide theoretical analysis to understand the mechanism of AgScore, and demonstrate its effectiveness by integrating it into three semi-supervised segmentation frameworks on Pascal VOC, Cityscapes, and COCO datasets, showing consistent improvements across all data partitions.

Large Vision-Language Models (LVLMs) have manifested strong visual question answering capability. However, they still struggle with aligning the rationale and the generated answer, leading to inconsistent reasoning and incorrect responses. To this end, this paper introduces Self-Rationale Calibration (SRC) framework to iteratively calibrate the alignment between rationales and answers. SRC begins by employing a lightweight “rationale fine-tuning” approach, which modifies the model’s response format to require a rationale before deriving answer without explicit prompts. Next, SRC searches a diverse set of candidate responses from the fine-tuned LVLMs for each sample, followed by a proposed pairwise scoring strategy using a tailored scoring model, R-Scorer, to evaluate both rationale quality and factual consistency of candidates. Based on a confidence-weighted preference curation process, SRC decouples the alignment calibration into a preference fine-tuning manner, leading to significant improvements of LVLMs in perception, reasoning, and generalization across multiple benchmarks. Our results emphasize the rationale-oriented alignment in exploring the potential of LVLMs.

We present LOCATE 3D, a model for localizing objects in 3D scenes from referring expressions like "the small coffee table between the sofa and the lamp." LOCATE 3D sets a new state-of-the-art on standard referential grounding benchmarks and showcases robust generalization capabilities. Notably, LOCATE 3D operates directly on sensor observation streams (posed RGB-D frames), enabling real-world deployment on robots and AR devices. Key to our approach is 3D-JEPA, a novel self-supervised learning (SSL) algorithm applicable to sensor point clouds. It takes as input a 3D pointcloud featurized using 2D foundation models (CLIP, DINO). Subsequently, masked prediction in latent space is employed as a pretext task to aid the self-supervised learning of contextualized pointcloud features. Once trained, the 3D-JEPA encoder is finetuned alongside a language-conditioned decoder to jointly predict 3D masks and bounding boxes. Additionally, we introduce LOCATE 3D DATASET, a new dataset for 3D referential grounding, spanning multiple capture setups with over 130K annotations. This enables a systematic study of generalization capabilities as well as a stronger model. Code, models and dataset can be found at the project website: locate3d.atmeta.com

Self-Supervised Learning (SSL) powers many current AI systems. As research interest and investment grow, the SSL design space continues to expand. The Platonic view of SSL, following the Platonic Representation Hypothesis (PRH), suggests that despite different methods and engineering approaches, all representations converge to the same Platonic ideal. However, this phenomenon lacks precise theoretical explanation. By synthesizing evidence from Identifiability Theory (IT), we show that the PRH can emerge in SSL. There is a gap between SSL theory and practice: Current IT cannot explain SSL's empirical success, though it has practically relevant insights. Our work formulates a blueprint for SSL research to bridge this gap: we propose expanding IT into what we term Singular Identifiability Theory (SITh), a broader theoretical framework encompassing the entire SSL pipeline. SITh would allow deeper insights into the implicit data assumptions in SSL and advance the field towards learning more interpretable and generalizable representations. We highlight three critical directions for future research: 1) training dynamics and convergence properties of SSL; 2) the impact of finite samples, batch size, and data diversity; and 3) the role of inductive biases in architecture, augmentations, initialization schemes, and optimizers.

Diffusion models, widely recognized for their success in generative tasks, have not yet been applied to clustering. We introduce Clustering via Diffusion (CLUDI), a self-supervised framework that combines the generative power of diffusion models with pre-trained Vision Transformer features to achieve robust and accurate clustering. CLUDI is trained via a teacher–student paradigm: the teacher uses stochastic diffusion-based sampling to produce diverse cluster assignments, which the student refines into stable predictions. This stochasticity acts as a novel data augmentation strategy, enabling CLUDI to uncover intricate structures in high-dimensional data. Extensive evaluations on challenging datasets demonstrate that CLUDI achieves state-of-the-art performance in unsupervised classification, setting new benchmarks in clustering robustness and adaptability to complex data distributions.