NeurIPS 2025 Papers

Instruction fine-tuning (IFT) has emerged as a ubiquitous strategy for specializing large language models (LLMs), yet it implicitly assumes a single, coherent "ground-truth" preference behind all human-written instructions. In practice, annotators differ in the styles, emphases, and granularities they prefer, introducing preference bias that can erode both robustness and generalization. We propose Dynamic Cross-Layer Preference Correction (\textsc{DCPC}), it couples (i) a preference-sensitive similarity estimator that detects mismatched instructional cues, (ii) cross-layer prefix alignment to reconcile semantic representations across transformer layers, and (iii) a lightweight Preference Correction Module (PCM) that dynamically adjusts hidden states to honor the inferred dominant preference. On five Super/GLUE tasks and the Alpaca set—plus six preference-shifted variants—DCPC boosts accuracy/F1-EM by 4.0–6.7 points and gpt-score by +0.7, while cutting inter-seed variance up to 35% on LlaMA-2 13B and Mistral-7B, setting a new state of the art for robust instruction tuning.

Spatio-temporal forecasting is essential for real-world applications such as traffic management and urban computing. Although recent methods have shown improved accuracy, they often fail to account for dynamic deviations between current inputs and historical patterns. These deviations contain critical signals that can significantly affect model performance. To fill this gap, we propose $\textbf{ST-SSDL}$, a $\underline{S}$patio-$\underline{T}$emporal time series forecasting framework that incorporates a $\underline{S}$elf-$\underline{S}$upervised $\underline{D}$eviation $\underline{L}$earning scheme to capture and utilize such deviations. ST-SSDL anchors each input to its historical average and discretizes the latent space using learnable prototypes that represent typical spatio-temporal patterns. Two auxiliary objectives are proposed to refine this structure: a contrastive loss that enhances inter-prototype discriminability and a deviation loss that regularizes the distance consistency between input representations and corresponding prototypes to quantify deviation. Optimized jointly with the forecasting objective, these components guide the model to organize its hidden space and improve generalization across diverse input conditions. Experiments on six benchmark datasets show that ST-SSDL consistently outperforms state-of-the-art baselines across multiple metrics. Visualizations further demonstrate its ability to adaptively respond to varying levels of deviation in complex spatio-temporal scenarios. Our code and datasets are available at https://github.com/Jimmy-7664/ST-SSDL.

Neural networks generally prefer simple and easy-to-learn features. When these features are spuriously correlated with the labels, the network's performance can suffer, particularly for underrepresented classes or concepts. Self-supervised representation learning methods, such as contrastive learning, are especially prone to this issue, often resulting in worse performance on downstream tasks. We identify a key spectral signature of this failure: early reliance on dominant singular modes of the learned feature matrix. To mitigate this, we propose a novel framework that promotes a uniform eigenspectrum of the feature covariance matrix, encouraging diverse and semantically rich representations. Our method operates in a fully self-supervised setting, without relying on ground-truth labels or any additional information. Empirical results on SimCLR and SimSiam demonstrate consistent gains in robustness and transfer performance, suggesting broad applicability across self-supervised learning paradigms. Code: https://github.com/NaghmehGh/SpuriousCorrelation_SSRL

We introduce the attention-indexed model (AIM), a theoretical framework for analyzing learning in deep attention layers. Inspired by multi-index models, AIM captures how token-level outputs emerge from layered bilinear interactions over high-dimensional embeddings. Unlike prior tractable attention models, AIM allows full-width key and query matrices, aligning more closely with practical transformers. Using tools from statistical mechanics and random matrix theory, we derive closed-form predictions for Bayes-optimal generalization error and identify sharp phase transitions as a function of sample complexity, model width, and sequence length. We propose a matching approximate message passing algorithm and show that gradient descent can reach optimal performance. AIM offers a solvable playground for understanding learning in self-attention layers, that are key components of modern architectures.

Large language models (LLMs) are increasingly used in sensitive domains, where their ability to infer personal data from seemingly benign text introduces emerging privacy risks. While recent LLM-based anonymization methods help mitigate such risks, they often rely on proprietary models (e.g., GPT-4), raising concerns about cost and the potential exposure of sensitive data to untrusted external systems. To address this, we introduce $\textit{SElf-refining Anonymization with Language model}$ (SEAL), a novel distillation framework for training small language models (SLMs) to perform effective anonymization without relying on external models at inference time. SEAL leverages adversarial interactions between an LLM anonymizer and an inference model to collect trajectories of anonymized texts and inferred attributes, which are then used to distill anonymization and critique capabilities into SLMs through supervised fine-tuning and preference learning. The resulting models learn both to anonymize text and to evaluate their outputs, enabling iterative improvement of anonymization quality via self-refinement. Experiments on SynthPAI, a dataset of synthetic personal profiles and text comments, demonstrate that SLMs trained with SEAL achieve substantial improvements in anonymization capabilities. Notably, 8B models attain a privacy-utility trade-off comparable to that of the GPT-4 anonymizer and, with self-refinement, even surpass it in terms of privacy protection. These results highlight the effectiveness of our adversarial distillation framework for training SLMs as efficient anonymizers.

Current 3D gaze estimation methods struggle to generalize across diverse data domains, primarily due to $\textbf{i)}$ $\textit{the scarcity of annotated datasets}$, and $\textbf{ii)}$ $\textit{the insufficient diversity of labeled data}$. In this work, we present OmniGaze, a semi-supervised framework for 3D gaze estimation, which utilizes large-scale unlabeled data collected from diverse and unconstrained real-world environments to mitigate domain bias and generalize gaze estimation in the wild. First, we build a diverse collection of unlabeled facial images, varying in facial appearances, background environments, illumination conditions, head poses, and eye occlusions. In order to leverage unlabeled data spanning a broader distribution, OmniGaze adopts a standard pseudo-labeling strategy and devises a reward model to assess the reliability of pseudo labels. Beyond pseudo labels as 3D direction vectors, the reward model also incorporates visual embeddings extracted by an off-the-shelf visual encoder and semantic cues from gaze perspective generated by prompting a Multimodal Large Language Model to compute confidence scores. Then, these scores are utilized to select high-quality pseudo labels and weight them for loss computation. Extensive experiments demonstrate that OmniGaze achieves state-of-the-art performance on five datasets under both in-domain and cross-domain settings. Furthermore, we also evaluate the efficacy of OmniGaze as a scalable data engine for gaze estimation, which exhibits robust zero-shot generalization on four unseen datasets.

Multiple Instance Learning (MIL) is a standard weakly supervised approach for Whole Slide Image (WSI) classification, where performance hinges on both feature representation and MIL pooling strategies. Recent research has predominantly focused on Transformer-based architectures adapted for WSIs. However, we argue that this trend faces a fundamental limitation: data scarcity. In typical settings, Transformer models yield only marginal gains without access to large-scale datasets—resources that are virtually inaccessible to all but a few well-funded research labs. Motivated by this, we revisit simple, non-attention MIL with unsupervised slide features and analyze temperature-$\beta$-controlled log-sum-exp (LSE) pooling. For slides partitioned into $N$ patches, we theoretically show that LSE has a smooth transition at a critical $\beta_{\mathrm{crit}}=\mathcal{O}(\log N)$ threshold, interpolating between mean-like aggregation (stable, better generalization but less sensitive) and max-like aggregation (more sensitive but looser generalization bounds). Grounded in this analysis, we introduce Maxsoft—a novel MIL pooling function that enables flexible control over this trade-off, allowing adaptation to specific tasks and datasets. To further tackle real-world deployment challenges such as specimen heterogeneity, we propose PerPatch augmentation—a simple yet effective technique that enhances model robustness. Empirically, Maxsoft achieves state-of-the-art performance in low-data regimes across four major benchmarks (CAMELYON16, CAMELYON17, TCGA-Lung, and SICAP-MIL), often matching or surpassing large-scale foundation models. When combined with PerPatch augmentation, this performance is further improved through increased robustness. Code is available at \href{https://github.com/jafarinia/maxsoft}{\texttt{https://github.com/jafarinia/maxsoft}}

In machine learning, effective modeling requires a holistic consideration of how to encode inputs, make predictions (i.e., decoding), and train the model. However, in time-series forecasting, prior work has predominantly focused on encoder design, often treating prediction and training as separate or secondary concerns. In this paper, we propose TimePerceiver, a unified encoder-decoder forecasting framework that is tightly aligned with an effective training strategy. To be specific, we first generalize the forecasting task to include diverse temporal prediction objectives such as extrapolation, interpolation, and imputation. Since this generalization requires handling input and target segments that are arbitrarily positioned along the temporal axis, we design a novel encoder-decoder architecture that can flexibly perceive and adapt to these varying positions. For encoding, we introduce a set of latent bottleneck representations that can interact with all input segments to jointly capture temporal and cross-channel dependencies. For decoding, we leverage learnable queries corresponding to target timestamps to effectively retrieve relevant information. Extensive experiments demonstrate that our framework consistently and significantly outperforms prior state-of-the-art baselines across a wide range of benchmark datasets.

Pseudo label based semi-supervised learning (SSL) for single-label and multi-label classification tasks has been extensively studied; however, semi-supervised label distribution learning (SSLDL) remains a largely unexplored area. Existing SSL methods fail in SSLDL because the pseudo-labels they generate only ensure overall similarity to the ground truth but do not preserve the ranking relationships between true labels, as they rely solely on KL divergence as the loss function during training. These skewed pseudo-labels lead the model to learn incorrect semantic relationships, resulting in reduced performance accuracy. To address these issues, we propose a novel SSLDL method called \textit{RankMatch}. \textit{RankMatch} fully considers the ranking relationships between different labels during the training phase with labeled data to generate higher-quality pseudo-labels. Furthermore, our key observation is that a flexible utilization of pseudo-labels can enhance SSLDL performance. Specifically, focusing solely on the ranking relationships between labels while disregarding their margins helps prevent model overfitting. Theoretically, we prove that incorporating ranking correlations enhances SSLDL performance and establish generalization error bounds for \textit{RankMatch}. Finally, extensive real-world experiments validate its effectiveness.

Pseudo-labeling is a commonly used paradigm in semi-supervised learning, yet its application to semi-supervised regression (SSR) remains relatively under-explored. Unlike classification, where pseudo-labels are discrete and confidence-based filtering is effective, SSR involves continuous outputs with heteroscedastic noise, making it challenging to assess pseudo-label reliability. As a result, naive pseudo-labeling can lead to error accumulation and overfitting to incorrect labels. To address this, we propose an uncertainty-aware pseudo-labeling framework that dynamically adjusts pseudo-label influence from a bi-level optimization perspective. By jointly minimizing empirical risk over all data and optimizing uncertainty estimates to enhance generalization on labeled data, our method effectively mitigates the impact of unreliable pseudo-labels. We provide theoretical insights and extensive experiments to validate our approach across various benchmark SSR datasets, and the results demonstrate superior robustness and performance compared to existing methods.

MEMS gyroscopes play a critical role in inertial navigation and motion control applications but typically suffer from a fundamental trade-off between measurement range and noise performance. Existing hardware-based solutions aimed at mitigating this issue introduce additional complexity, cost, and scalability challenges. Deep-learning methods primarily focus on noise reduction and typically require precisely aligned ground-truth signals, making them difficult to deploy in practical scenarios and leaving the fundamental trade-off unresolved. To address these challenges, we introduce Mixture of Experts for MEMS Gyroscopes (MoE-Gyro), a novel self-supervised framework specifically designed for simultaneous over-range signal reconstruction and noise suppression. MoE-Gyro employs two experts: an Over‑Range Reconstruction Expert (ORE), featuring a Gaussian-Decay Attention mechanism for reconstructing saturated segments; and a Denoise Expert (DE), utilizing dual-branch complementary masking combined with FFT-guided augmentation for robust noise reduction. A lightweight gating module dynamically routes input segments to the appropriate expert. Furthermore, existing evaluation lack a comprehensive standard for assessing multi-dimensional signal enhancement. To bridge this gap, we introduce IMU Signal Enhancement Benchmark (ISEBench), an open-source benchmarking platform comprising the GyroPeak-100 dataset and a unified evaluation of IMU signal enhancement methods. We evaluate MoE-Gyro using our proposed ISEBench, demonstrating that our framework significantly extends the measurable range from ±450°/s to ±1500°/s, reduces Bias Instability by 98.4%, and achieves state-of-the-art performance, effectively addressing the long-standing trade-off in inertial sensing.Our code is available at: https://github.com/2002-Pan/Moe-Gyro

Self-Supervised Learning (SSL) has become a powerful solution to extract rich representations from unlabeled data. Yet, SSL research is mostly focused on clean, curated and high-quality datasets. As a result, applying SSL on noisy data remains a challenge, despite being crucial to applications such as astrophysics, medical imaging, geophysics or finance. In this work, we present a fully self-supervised framework that enables noise-robust representation learning without requiring a denoiser at inference or downstream fine-tuning. Our method first trains an SSL denoiser on noisy data, then uses it to construct a denoised-to-noisy data curriculum (i.e., training first on denoised, then noisy samples) for pretraining a SSL backbone (e.g., DINOv2), combined with a teacher-guided regularization that anchors noisy embeddings to their denoised counterparts. This process encourages the model to internalize noise robustness. Notably, the denoiser can be discarded after pretraining, simplifying deployment. On ImageNet-1k with ViT-B under extreme Gaussian noise ($\sigma=255$, SNR = 0.72 dB), our method improves linear probing accuracy by 4.8\% over DINOv2, demonstrating that denoiser-free robustness can emerge from noise-aware pretraining. The code is available at https://github.com/wenquanlu/noisy_dinov2.

Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL). However, extending the success of re-mask decoding from 2D to 3D MGM is non-trivial, primarily due to two conflicting challenges: avoiding 2D structure leakage to the decoder, while still providing sufficient 2D context for reconstructing re-masked atoms. To address these challenges, we propose 3D-GSRD: a 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding. The core innovation of 3D-GSRD lies in its Selective Re-mask Decoding (SRD), which re-masks only 3D-relevant information from encoder representations while preserving the 2D graph structures. This SRD is synergistically integrated with a 3D Relational-Transformer (3D-ReTrans) encoder alongside a structure-independent decoder. We analyze that SRD, combined with the structure-independent decoder, enhances the encoder's role in MRL. Extensive experiments show that 3D-GSRD achieves strong downstream performance, setting a new state-of-the-art on 7 out of 8 targets in the widely used MD17 molecular property prediction benchmark. The code is released at https://github.com/WuChang0124/3D-GSRD.

Self-play fine-tuning has demonstrated promising abilities in adapting large language models (LLMs) to downstream tasks with limited real-world data. The basic principle is to iteratively refine the model with real samples and synthetic ones generated from itself. However, the existing methods primarily focus on the relative gaps between the rewards for two types of data, neglecting their absolute values. Through theoretical analysis, we identify that the gap-based methods suffer from unstable evolution, due to the potentially degenerated objectives. To address this limitation, we introduce a novel self-play fine-tuning method, namely \underline{S}elf-\underline{P}l\underline{A}y via Noise \underline{C}ontrastive \underline{E}stimation (SPACE), which leverages noise contrastive estimation to capture the real-world data distribution. Specifically, SPACE treats synthetic samples as auxiliary components, and discriminates them from the real ones in a binary classification manner. As a result, SPACE independently optimizes the absolute reward values for each type of data, ensuring a consistently meaningful objective and thereby avoiding the instability issue. Theoretically, we show that the optimal solution of the objective in SPACE aligns with the underlying distribution of real-world data, and SPACE guarantees a provably stable convergence to the optimal distribution. Empirically, we show that SPACE significantly improves the performance of LLMs over various tasks, and outperforms supervised fine-tuning that employs much more real-world samples. Compared to gap-based self-play fine-tuning methods, SPACE exhibits remarkable superiority and stable evolution.

Vision-Language Models (VLMs) integrate visual knowledge with the analytical capabilities of Large Language Models (LLMs) through supervised visual instruction tuning, using image-question-answer triplets. However, the potential of VLMs trained without supervised instruction remains largely unexplored. This study validates that VLMs possess inherent self-refinement capabilities, enabling them to generate high-quality supervised data without external inputs and thereby learn autonomously. Specifically, to stimulate the self-refinement ability of VLMs, we propose a self-refinement framework based on a Triangular Consistency principle: within the image-query-answer triangle, any masked elements should be consistently and accurately reconstructed. The framework involves three steps: (1) We enable the instruction generation ability of VLMs by adding multi-task instruction tuning like image$\rightarrow$question-answer or image-answer$\rightarrow$question. (2) We generate image-query-answer triplets from unlabeled images and use the Triangular Consistency principle for filtering. (3) The model is further updated using the filtered synthetic data. To investigate the underlying mechanisms behind this self-refinement capability, we conduct a theoretical analysis from a causal perspective. Using the widely recognized LLaVA-1.5 as our baseline, our experiments reveal that the model can autonomously achieve consistent, though deliberately modest, improvements across multiple benchmarks without any external supervision, such as human annotations or environmental feedback. We expect that the insights of this study on the self-refinement ability of VLMs can inspire future research on the learning mechanism of VLMs. Code is available at https://github.com/dengyl20/SRF-LLaVA-1.5.

Attention sink (AS) is a consistent pattern in transformer attention maps where certain tokens (often special tokens or positional anchors) disproportionately attract attention from other tokens. We show that in transformers, AS is not an architectural artifact, but it is the manifestation of a fundamental geometric principle: the establishment of reference frames that anchor representational spaces. We analyze several architectures and identify three distinct reference frame types, centralized, distributed, and bidirectional, that correlate with the attention sink phenomenon. We show that they emerge during the earliest stages of training as optimal solutions to the problem of establishing stable coordinate systems in high-dimensional spaces. We show the influence of architecture components, particularly position encoding implementations, on the specific type of reference frame. This perspective transforms our understanding of transformer attention mechanisms and provides insights for both architecture design and the relationship with AS.

Attention is the cornerstone of modern Large Language Models (LLMs). Yet its quadratic complexity hinders efficiency and scalability, especially for long-context processing. A promising approach is to leverage sparsity in attention. However, existing sparsity-based solutions predominantly rely on predefined patterns or heuristics at the attention head level, struggling to adapt dynamically to different contexts efficiently. We propose SeerAttention, a simple yet effective attention mechanism that directly learns the block-level attention sparsity from the LLM itself. Inspired by the gating mechanism in Mixture of Experts (MoE), SeerAttention augments the conventional attention with a **learnable gate** that **selectively activates important blocks** within the attention map. Specifically, the gate first pools the query (Q) and key (K) tensors along the sequence dimension and processes them through learnable linear layers. The resulting matrices are then multiplied together to produce the gating scores, which are used to predict block-level attention sparsity. Combined with our block-sparse FlashAttention kernel, SeerAttention can achieve significant speedup on GPUs. When applied to pre-trained LLMs, SeerAttention only requires training the gate parameters in a lightweight self-distillation manner, allowing rapid convergence. Our evaluation results demonstrate that SeerAttention achieves better model accuracy and lower latency for long-context pre-filling compared to prior methods. Code is available at: https://github.com/microsoft/SeerAttention.

Uncertain knowledge graphs (UKGs) associate each triple with a confidence score to provide more precise knowledge representations. Recently, since real-world UKGs suffer from the incompleteness, uncertain knowledge graph (UKG) completion attracts more attention, aiming to complete missing triples and confidences. Current studies attempt to learn UKG embeddings to solve this problem, but they neglect the extremely imbalanced distributions of triple confidences. This causes that the learnt embeddings are insufficient to high-quality UKG completion. Thus, in this paper, to address the above issue, we propose a new semi-supervised Confidence Distribution Learning (ssCDL) method for UKG completion, where each triple confidence is transformed into a confidence distribution to introduce more supervision information of different confidences to reinforce the embedding learning process. ssCDL iteratively learns UKG embedding by relational learning on labeled data (i.e., existing triples with confidences) and unlabeled data with pseudo labels (i.e., unseen triples with the generated confidences), which are predicted by meta-learning to augment the training data and rebalance the distribution of triple confidences. Experiments on two UKG datasets demonstrate that ssCDL consistently outperforms the state-of-the-art baselines in different evaluation metrics.

In this paper, we propose \textbf{Jasmine}, the first Stable Diffusion (SD)-based self-supervised framework for monocular depth estimation, which effectively harnesses SD’s visual priors to enhance the sharpness and generalization of unsupervised prediction. Previous SD-based methods are all supervised since adapting diffusion models for dense prediction requires high-precision supervision. In contrast, self-supervised reprojection suffers from inherent challenges (\textit{e.g.}, occlusions, texture-less regions, illumination variance), and the predictions exhibit blurs and artifacts that severely compromise SD's latent priors. To resolve this, we construct a novel surrogate task of mix-batch image reconstruction. Without any additional supervision, it preserves the detail priors of SD models by reconstructing the images themselves while preventing depth estimation from degradation. Furthermore, to address the inherent misalignment between SD's scale and shift invariant estimation and self-supervised scale-invariant depth estimation, we build the Scale-Shift GRU. It not only bridges this distribution gap but also isolates the fine-grained texture of SD output against the interference of reprojection loss. Extensive experiments demonstrate that Jasmine achieves SoTA performance on the KITTI benchmark and exhibits superior zero-shot generalization across multiple datasets.