NeurIPS 2025 Papers

Learning object-level, structured representations is widely regarded as a key to better generalization in vision and underpins the design of next-generation Pre-trained Vision Models (PVMs). Mainstream Object-Centric Learning (OCL) methods adopt Slot Attention or its variants to iteratively aggregate objects' super-pixels into a fixed set of query feature vectors, termed slots. However, their reliance on a static slot count leads to an object being represented as multiple parts when the number of objects varies. We introduce MetaSlot, a plug-and-play Slot Attention variant that adapts to variable object counts. MetaSlot (i) maintains a codebook that holds prototypes of objects in a dataset by vector-quantizing the resulting slot representations; (ii) removes duplicate slots from the traditionally aggregated slots by quantizing them with the codebook; and (iii) injects progressively weaker noise into the Slot Attention iterations to accelerate and stabilize the aggregation. MetaSlot is a general Slot Attention variant that can be seamlessly integrated into existing OCL architectures. Across multiple public datasets and tasks--including object discovery and recognition--models equipped with MetaSlot achieve significant performance gains and markedly interpretable slot representations, compared with existing Slot Attention variants. The code is available at https://github.com/lhj-lhj/MetaSlot.

Monocular depth estimation has advanced significantly with foundation models like Depth Anything, leveraging large-scale transformer architectures for the superior generalization. However, the deployment on resource-constrained devices remains challenging due to the high computation and memory requirement. Existing quantization methods, such as post-training quantization and quantization-aware training, often face trade-offs between efficiency and accuracy, or require extensive labeled data for retraining. To address these limitations, we propose Quantization with Self-Compensating Auxiliary for Monocular Depth Estimation (QSCA), a novel framework for 4-bit post-training quantization of Monocular depth estimation models. Our method integrates a lightweight Self-Compensating Auxiliary (SCA) module into both transformer encoder and decoder blocks, enabling the quantized model to recover from performance degradation without requiring ground truth. This design enables fast adaptation while preserving structural and spatial consistency in predicted depth maps. To our knowledge, this is the first framework to successfully apply 4-bit quantization across all layers of large-scale monocular depth estimation models. Experimental results demonstrate that QSCA significantly improves quantized depth estimation performance. On the NYUv2 dataset, it achieves an 11\% improvement in $\delta_1$ accuracy over existing post-training quantization methods.

Machine learning can greatly benefit from providing learning algorithms with pairs of contrastive training examples---typically pairs of instances that differ only slightly, yet have different class labels. Intuitively, the difference in the instances helps explain the difference in the class labels. This paper proposes a theoretical framework in which the effect of various types of contrastive examples on active learners is studied formally. The focus is on the sample complexity of learning concept classes and how it is influenced by the choice of contrastive examples. We illustrate our results with geometric concept classes and classes of Boolean functions. Interestingly, we reveal a connection between learning from contrastive examples and the classical model of self-directed learning.

Learning semantically meaningful representations from unstructured 3D point clouds remains a central challenge in computer vision, especially in the absence of large-scale labeled datasets. While masked point modeling (MPM) is widely used in self-supervised 3D learning, its reconstruction-based objective can limit its ability to capture high-level semantics. We propose AsymDSD, an Asymmetric Dual Self-Distillation framework that unifies masked modeling and invariance learning through prediction in the latent space rather than the input space. AsymDSD builds on a joint embedding architecture and introduces several key design choices: an efficient asymmetric setup, disabling attention between masked queries to prevent shape leakage, multi-mask sampling, and a point cloud adaptation of multi-crop. AsymDSD achieves state-of-the-art results on ScanObjectNN (90.53\%) and further improves to 93.72\% when pretrained on 930k shapes, surpassing prior methods.

Machine learning models play a key role in safety-critical applications, such as autonomous vehicles and advanced driver assistance systems, where their robustness during inference is essential to ensure reliable operation. Sensor faults, however, can corrupt input signals, potentially leading to severe model failures that compromise reliability. In this context, pretraining emerges as a powerful approach for learning expressive representations applicable to various downstream tasks. Among existing techniques, masking represents a promising direction for learning representations that are robust to corrupted input data. In this work, we extend this concept by specifically targeting robustness to sensor outages during pretraining. We propose a self-supervised masking scheme that simulates common sensor failures and explicitly trains the model to recover the original signal. We demonstrate that the resulting representations significantly improve the robustness of predictions to seen and unseen sensor failures on a vehicle dynamics dataset, maintaining strong downstream performance under both nominal and various fault conditions. As a practical application, we deploy the method on a modified Lexus LC 500 and show that the pretrained model successfully operates as a substitute for a physical sensor in a closed-loop control system. In this autonomous racing application, a supervised baseline trained without sensor failures may cause the vehicle to leave the track. In contrast, a model trained using the proposed masking scheme enables reliable racing performance in the presence of sensor failures.

Recent advances in large-scale neural recordings have enabled accurate decoding of behavior and cognitive states, yet decoding anatomical regions remains underexplored, despite being crucial for consistent targeting in multiday recordings and effective deep brain stimulation. Current approaches typically rely on external anatomical information, from atlas-based planning to post hoc histology, which are limited in precision, longitudinal applicability, and real-time feedback. In this work, we develop a self-supervised learning framework, Lfp2vec, to infer anatomical regions directly from the neural signal in vivo. We adapt an audio-pretrained transformer model by continuing self-supervised training on a large corpus of unlabeled local-field-potential (LFP) data, then fine-tuning for anatomical region decoding. Ablations show that combining out-of-domain initialization with in-domain self-supervision outperforms training from scratch. We demonstrate that our method achieves strong zero-shot generalization across different labs and probe geometries, and outperforming state-of-the-art self-supervised models on electrophysiology data. The learned embeddings form anatomically coherent clusters and transfer effectively to downstream tasks like disease classification with minimal fine-tuning. Altogether, our approach enables zero-shot prediction of brain regions in novel subjects, demonstrates that LFP signals encode rich anatomical information, and establishes self-supervised learning on raw LFP as a foundation to learn representations that can be tuned for diverse neural decoding tasks. Code to reproduce our results is found in the github repository at https://github.com/tianxiao18/lfp2vec.

Particle Image Velocimetry (PIV) aims to infer underlying velocity fields from time-separated particle images, forming a PDE-constrained inverse problem governed by advection dynamics. Traditional cross-correlation methods and deep learning-based feature matching approaches often struggle with ambiguity, limited resolution, and generalization to real-world conditions. To address these challenges, we propose a PIV Neural Operator (PIVNO) framework that directly approximates the inverse mapping from paired particle images to flow fields within a function space. Leveraging a position informed Galerkin-style attention operator, PIVNO captures global flow structures while supporting resolution-adaptive inference across arbitrary subdomains. Moreover, to enhance real-world adaptability, we introduce a self-supervised fine-tuning scheme based on physical divergence constraints, enabling the model to generalize from synthetic to real experiments without requiring labeled data. Extensive evaluations demonstrate the accuracy, flexibility, and robustness of our approach across both simulated and experimental PIV datasets. Our code is at https://github.com/ZXS-Labs/PIVNO.

Graph self-supervised learning aims to learn the intrinsic graph representations from unlabeled data, with broad applicability in areas such as computing networks. Although graph contrastive learning (GCL) has achieved remarkable progress by generating perturbed views via data augmentation and optimizing sample similarity, it performs poorly in heterophilic graph scenarios (where connected nodes are likely to belong to different classes or exhibit dissimilar features). In heterophilic graphs, existing methods typically rely on random or carefully designed augmentation strategies (e.g., edge dropping) for contrastive views. However, such graph structures exhibit intricate edge relationships, where topological perturbations may completely alter the semantics of neighborhoods. Moreover, most methods focus solely on local contrastive signals while neglecting global structural constraints. To address these limitations, inspired by graph coloring, we propose a novel Coloring learning for heterophilic graph Representation framework, CoRep, which: 1) Pioneers a coloring classifier to generate coloring labels, explicitly minimizing the discrepancy between homophilic nodes while maximizing that of heterophilic nodes. A global positive sample set is constructed using multi-hop same-color nodes to capture global semantic consistency. 2) Introduces a learnable edge evaluator to guide the coloring learning dynamically and utilizes the edges' triplet relations to enhance its robustness. 3) Leverages Gumbel-Softmax to differentially discretize color distributions, suppressing noise via a redundancy constraint and enhancing intra-class compactness. Experimental results on 14 benchmark datasets demonstrate that CoRep significantly outperforms current state-of-the-art methods.

Identifying drug-drug interactions (DDIs) is critical for ensuring drug safety and advancing drug development, a topic that has garnered significant research interest. While existing methods have made considerable progress, approaches relying solely on known DDIs face a key challenge when applied to drugs with limited data: insufficient exploration of the space of unlabeled pairwise drugs. To address these issues, we innovatively introduce S$^2$VM, a Self-supervised Visual pretraining framework for pair-wise Molecules, to fully fuse structural representations and explore the space of drug pairs for DDI prediction. S$^2$VM incorporates the explicit structure and correlations of visual molecules, such as the positional relationships and connectivity between functional substructures. Specifically, we blend the visual fragments of drug pairs into a unified input for joint encoding and then recover molecule-specific visual information for each drug individually. This approach integrates fine-grained structural representations from unlabeled drug pair data. By using visual fragments as anchors, S$^2$VM effectively captures the spatial information of local molecular components within visual molecules, resulting in more comprehensive embeddings of drug pairs. Experimental results show that S$^2$VM achieves state-of-the-art performance on widely used benchmarks, with Macro-F1 score improvements of 4.21% and 3.31%, respectively. Further extensive results and theoretical analysis demonstrate the effectiveness of S$^2$VM for both few-shot and novel drugs.

Large-scale pre-trained models hold significant potential for learning universal EEG representations. However, most existing methods, particularly autoregressive (AR) frameworks, primarily rely on straightforward temporal sequencing of multi-channel EEG data, which fails to capture the rich physiological characteristics inherent to EEG signals. Moreover, their time-centered modeling approach also limits the effective representation of the dynamic spatial topology of brain activity. To address these challenges and fully exploit the potential of large-scale EEG models, we propose a novel Topology Hierarchical Derived Brain Autoregressive Modeling (THD-BAR) for EEG generic representations. The core innovation of THD-BAR lies in the introduction of the Brain Topology Hierarchy (BTH), which establishes a multi-scale spatial order for EEG channels. This hierarchical structure enables a redefinition of autoregressive learning as a "next-scale-time prediction" problem, effectively capturing both spatial and temporal dynamics. Based on BTH, we design a Topology-Hierarchical Vector Quantized-Variational Autoencoder (THVQ-VAE) for multi-scale tokenization and develop an enhanced Brain Autoregressive (BAR) module with specialized masking strategies for prediction. Through extensive large-scale pre-training on 17 datasets, followed by rigorous validation on 10 downstream datasets spanning 5 distinct tasks, THD-BAR consistently outperforms existing methods. These results highlight the superior generalization and modeling capabilities of our proposed approach.

Binary classification in the classic PAC model exhibits a curious phenomenon: Empirical Risk Minimization (ERM) learners are suboptimal in the realizable case yet optimal in the agnostic case. Roughly speaking, this owes itself to the fact that non-realizable distributions $\\mathcal{D}$ are more difficult to learn than realizable distributions -- even when one discounts a learner's error by $\\mathrm{err}(h^\\ast_\\mathcal{D})$, i.e., the error of the best hypothesis in $\\mathcal{H}$. Thus, optimal agnostic learners are permitted to incur excess error on (easier-to-learn) distributions $\\mathcal{D}$ for which $\\tau = \\mathrm{err}(h^\\ast_\\mathcal{D})$ is small. Recent work of Hanneke, Larsen, and Zhivotovskiy (FOCS '24) addresses this shortcoming by including $\\tau$ itself as a parameter in the agnostic error term. In this more fine-grained model, they demonstrate tightness of the error lower bound $\\tau + \\Omega \\left(\\sqrt{\\frac{\\tau (d + \\log(1 / \\delta))}{m}} + \\frac{d + \\log(1 / \\delta)}{m} \\right)$ in a regime where $\\tau > d/m$, and leave open the question of whether there may be a higher lower bound when $\\tau \\approx d/m$, with $d$ denoting $\\mathrm{VC}(\\mathcal{H})$. In this work, we resolve this question by exhibiting a learner which achieves error $c \\cdot \\tau + O \\left(\\sqrt{\\frac{\\tau (d + \\log(1 / \\delta))}{m}} + \\frac{d + \\log(1 / \\delta)}{m} \\right)$ for a constant $c \\leq 2.1$, matching the lower bound and demonstrating optimality when $\\tau =O( d/m)$. Further, our learner is computationally efficient and is based upon careful aggregations of ERM classifiers, making progress on two other questions of Hanneke, Larsen, and Zhivotovskiy (FOCS '24). We leave open the interesting question of whether our approach can be refined to lower the constant from 2.1 to 1, which would completely settle the complexity of agnostic learning.

In multimodal representation learning, synergistic interactions between modalities not only provide complementary information but also create unique outcomes through specific interaction patterns that no single modality could achieve alone. Existing methods may struggle to effectively capture the full spectrum of synergistic information, leading to suboptimal performance in tasks where such interactions are critical. This is particularly problematic because synergistic information constitutes the fundamental value proposition of multimodal representation. To address this challenge, we introduce InfMasking, a contrastive synergistic information extraction method designed to enhance synergistic information through an Infinite Masking strategy. InfMasking stochastically occludes most features from each modality during fusion, preserving only partial information to create representations with varied synergistic patterns. Unmasked fused representations are then aligned with masked ones through mutual information maximization to encode comprehensive synergistic information. This infinite masking strategy enables capturing richer interactions by exposing the model to diverse partial modality combinations during training. As computing mutual information estimates with infinite masking is computationally prohibitive, we derive an InfMasking loss to approximate this calculation. Through controlled experiments, we demonstrate that InfMasking effectively enhances synergistic information between modalities. In evaluations on large-scale real-world datasets, InfMasking achieves state-of-the-art performance across seven benchmarks. Code is released at https://github.com/brightest66/InfMasking.

We propose ***self-diffusion***, a novel framework for solving inverse problems without relying on pretrained generative models. Traditional diffusion-based approaches require training a model on a clean dataset to learn to reverse the forward noising process. This model is then used to sample clean solutions---corresponding to posterior sampling from a Bayesian perspective---that are consistent with the observed data under a specific task. In contrast, self-diffusion introduces a self-contained iterative process that alternates between noising and denoising steps to progressively refine its estimate of the solution. At each step of self-diffusion, noise is added to the current estimate, and a self-denoiser, which is a single untrained convolutional network randomly initialized from scratch, is continuously trained for certain iterations via a data fidelity loss to predict the solution from the noisy estimate. Essentially, self-diffusion exploits the spectral bias of neural networks and modulates it through a scheduled noise process. Without relying on pretrained score functions or external denoisers, this approach still remains adaptive to arbitrary forward operators and noisy observations, making it highly flexible and broadly applicable. We demonstrate the effectiveness of our approach on a variety of linear inverse problems, showing that self-diffusion achieves competitive or superior performance compared to other methods.

Detecting intrusions in network traffic is a challenging task, particularly under limited supervision and constantly evolving attack patterns. While recent works have leveraged graph neural networks for network intrusion detection, they often decouple representation learning from anomaly detection, limiting the utility of the embeddings for identifying attacks. We propose GraphIDS, a self-supervised intrusion detection model that unifies these two stages by learning local graph representations of normal communication patterns through a masked autoencoder. An inductive graph neural network embeds each flow with its local topological context to capture typical network behavior, while a Transformer‑based encoder-decoder reconstructs these embeddings, implicitly learning global co-occurrence patterns via self-attention without requiring explicit positional information. During inference, flows with unusually high reconstruction errors are flagged as potential intrusions. This end-to-end framework ensures that embeddings are directly optimized for the downstream task, facilitating the recognition of malicious traffic. On diverse NetFlow benchmarks, GraphIDS achieves up to 99.98% PR‑AUC and 99.61% macro F1-score, outperforming baselines by 5–25 percentage points.

Spectral reconstruction from RGB images often suffers from a metameric dilemma, where distinct spectral distributions map to nearly identical RGB values, making them indistinguishable to current models and leading to unreliable reconstructions. In this paper, we present Diff-Spectra that integrates supervised physics-aware spectral estimation and unsupervised high-fidelity spectral regularization for HSI reconstruction. We first introduce an Adaptive illumiChroma Decoupling (AICD) module to decouple illumination and chrominance information, which learns intrinsic and distinctive feature distributions, thereby mitigating the metameric issue. Then, we incorporate the AICD into a learnable spectral response function (SRF) guided hyperspectral initial estimation mechanism to mimic the physical image formation and thus inject physics-aware reasoning into neural networks, turning an ill-posed problem into a constrained, interpretable task. We also introduce a metameric spectra augmentation method to synthesize comprehensive hyperspectral data to pre-train a Spectral Diffusion Module (SDM), which internalizes the statistical properties of real-world HSI data, enforcing unsupervised high-fidelity regularization on the spectral transitions via inner-loop optimization during inference. Extensive experimental evaluations demonstrate that our Diff-Spectra achieves SOTA performance on both Spectral reconstruction and downstream HSI classification.

Compilers, while essential, are notoriously complex systems that demand prohibitively expensive human expertise to develop and maintain. The recent advancements in Large Language Models (LLMs) offer a compelling new paradigm: Neural Compilation, which could potentially simplify compiler development for new architectures and facilitate the discovery of innovative optimization techniques. However, several critical obstacles impede its practical adoption. Firstly, a significant lack of dedicated benchmarks and robust evaluation methodologies hinders objective assessment and tracking of progress in the field. Secondly, systematically enhancing the reliability and performance of LLM-generated assembly remains a critical challenge. Addressing these challenges, this paper introduces NeuComBack, a novel benchmark dataset specifically designed for IR-to-assembly compilation. Leveraging this dataset, we first define a foundational Neural Compilation workflow and conduct a comprehensive evaluation of the capabilities of recent frontier LLMs on Neural Compilation, establishing new performance baselines. We further propose a self-evolving prompt optimization method that enables LLMs to iteratively evolve their internal prompt strategies by extracting insights from prior self-debugging traces, thereby enhancing their neural compilation capabilities. Experiments demonstrate that our method significantly improves both the functional correctness and the performance of LLM-generated assembly code. Compared to baseline prompts, the functional correctness rates improved from 44% to 64% on x86_64 and from 36% to 58% on aarch64, respectively. More significantly, among the 16 correctly generated x86_64 programs using our method, 14 (87.5%) surpassed clang-O3 performance. These consistent improvements across diverse architectures (x86_64 and aarch64) and program distributions (NeuComBack L1 and L2) validate our method's superiority over conventional approaches and its potential for broader adoption in low-level neural compilation.

Point cloud completion, aiming to reconstruct missing part from incomplete point clouds, is a pivotal task in 3D computer vision. Traditional supervised approaches often necessitate complete point clouds for training supervision, which are not readily accessible in real-world applications. Recent studies have attempted to mitigate this dependency by employing self-supervise mechanisms. However, these approaches frequently yield suboptimal results due to the absence of complete structure in the point cloud data during training. To address these issues, in this paper, we propose an effective framework to complete the point cloud under the guidance of self learned complete structure. A key contribution of our work is the development of a novel self-supervised complete structure reconstruction module, which can learn the complete structure explicitly from incomplete point clouds and thus eliminate the reliance on training data from complete point clouds. Additionally, we introduce a contrastive learning approach at both the cluster- and instance-level to extract shape features guided by the complete structure and to capture style features, respectively. This dual-level learning design ensures that the generated point clouds are both shape-completed and detail-preserving. Extensive experiments on both synthetic and real-world datasets demonstrate that our approach significantly outperforms state-of-the-art self-supervised methods.

In this paper, we introduce UI-Genie, a self-improving framework addressing two key challenges in GUI agents: verification of trajectory outcome is challenging and high-quality training data are not scalable. These challenges are addressed by a reward model and a self-improving pipeline, respectively. The reward model, UI-Genie-RM, features an image-text interleaved architecture that efficiently processes historical context and unifies action-level and task-level rewards. To support the training of UI-Genie-RM, we develop deliberately-designed data generation strategies including rule-based verification, controlled trajectory corruption, and hard negative mining. To address the second challenge, a self-improvement pipeline progressively expands solvable complex GUI tasks by enhancing both the agent and reward models through reward-guided exploration and outcome verification in dynamic environments. For training the model, we generate UI-Genie-RM-517k and UI-Genie-Agent-16k, establishing the first reward-specific dataset for GUI agents while demonstrating high-quality synthetic trajectory generation without manual annotation. Experimental results show that UI-Genie achieves state-of-the-art performance across multiple GUI agent benchmarks with three generations of data-model self-improvement. We open-source our complete framework implementation and generated datasets to facilitate further research in https://github.com/Euphoria16/UI-Genie.

Leveraging the power of Large Language Models (LLMs) through preference optimization is crucial for aligning model outputs with human values. Direct Preference Optimization (DPO) has recently emerged as a simple yet effective method by directly optimizing on preference data without the need for explicit reward models. However, DPO typically relies on human-labeled preference data, which can limit its scalability. Self-Play Fine-Tuning (SPIN) addresses this by allowing models to generate their own rejected samples, reducing the dependence on human annotations. Nevertheless, SPIN uniformly applies learning signals across all tokens, ignoring the fine-grained quality variations within responses. As the model improves, rejected samples increasingly contain high-quality tokens, making the uniform treatment of tokens suboptimal. In this paper, we propose SWIFT (Self-Play Weighted Fine-Tuning), a fine-grained self-refinement method that assigns token-level importance weights estimated from a stronger teacher model. Beyond alignment, we also demonstrate that SWIFT serves as an effective knowledge distillation strategy by using the teacher not for logits matching, but for reward-guided token weighting. Extensive experiments on diverse benchmarks and settings demonstrate that SWIFT consistently surpasses both existing alignment approaches and conventional knowledge distillation methods.