NeurIPS 2025 论文列表

Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, $\textbf{E}$fficient, $\textbf{U}$nified and $\textbf{Gen}$eral dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to $\textbf{the first}$ unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to $\textbf{27}$\%) and memory efficiency (up to $\textbf{30}$\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.

To address the computational and storage challenges posed by large-scale datasets in deep learning, dataset distillation has been proposed to synthesize a compact dataset that replaces the original while maintaining comparable model performance. Unlike optimization-based approaches that require costly bi-level optimization, distribution matching (DM) methods improve efficiency by aligning the distributions of synthetic and original data, thereby eliminating nested optimization. DM achieves high computational efficiency and has emerged as a promising solution. However, existing DM methods, constrained to Euclidean space, treat data as independent and identically distributed points, overlooking complex geometric and hierarchical relationships. To overcome this limitation, we propose a novel hyperbolic dataset distillation method, termed HDD. Hyperbolic space, characterized by negative curvature and exponential volume growth with distance, naturally models hierarchical and tree-like structures. HDD embeds features extracted by a shallow network into the Lorentz hyperbolic space, where the discrepancy between synthetic and original data is measured by the hyperbolic (geodesic) distance between their centroids. By optimizing this distance, the hierarchical structure is explicitly integrated into the distillation process, guiding synthetic samples to gravitate towards the root-centric regions of the original data distribution while preserving their underlying geometric characteristics. Furthermore, we find that pruning in hyperbolic space requires only 20\% of the distilled core set to retain model performance, while significantly improving training stability. Notably, HDD is seamlessly compatible with most existing DM methods, and extensive experiments on different datasets validate its effectiveness. To the best of our knowledge, this is the first work to incorporate the hyperbolic space into the dataset distillation process. The code is available at https://github.com/Guang000/HDD.

Advances in single-cell sequencing have enabled high-resolution profiling of diverse molecular modalities, while integrating unpaired multi-omics single-cell data remains challenging. Existing approaches either rely on pair information or prior correspondences, or require computing a global pairwise coupling matrix, limiting their scalability and flexibility. In this paper, we introduce a scalable and flexible generative framework called single-cell Multi-omics Regularized Disentangled Representations (scMRDR) for unpaired multi-omics integration. Specifically, we disentangle each cell’s latent representations into modality-shared and modality-specific components using a well-designed $\beta$-VAE architecture, which are augmented with isometric regularization to preserve intra-omics biological heterogeneity, adversarial objective to encourage cross-modal alignment, and masked reconstruction loss strategy to address the issue of missing features across modalities. Our method achieves excellent performance on benchmark datasets in terms of batch correction, modality alignment, and biological signal preservation. Crucially, it scales effectively to large-level datasets and supports integration of more than two omics, offering a powerful and flexible solution for large-scale multi-omics data integration and downstream biological discovery.

Online learning algorithms for designing optimal bilateral trade mechanisms have recently received significant attention. This paper addresses a key inefficiency in prior two-bit feedback models, which synchronously query both the buyer and the seller for their willingness to trade. This approach is inherently inefficient as it offers a trade to the seller even if the buyer rejects the offer. We propose an asynchronous mechanism that queries the seller only if the buyer has already accepted the offer. Consequently, the mechanism receives one bit of feedback from the buyer and a "censored" bit from the seller---a signal richer than the standard one-bit (trade/no-trade) feedback, but less informative than the two-bit model. Assuming independent valuations with bounded densities---the same distributional conditions underlying the two-bit results of Cesa-Bianchi et al. [2024a]---we design an algorithm that achieves $\tilde{O}(T^{2/3})$ regret against the best fixed price in hindsight. This matches the lower bound for the strictly richer two-bit model, showing that our mechanism elicits the minimal feedback necessary to attain optimal rates.

We consider the problem of preprocessing an $n\times n$ matrix $\mathbf{M}$, and supporting queries that, for any vector $v$, returns the matrix-vector product $\mathbf{M} v$. This problem has been extensively studied in both theory and practice: on one side, practitioners have developed algorithms that are highly efficient in practice, whereas on the other side, theoreticians have proven that the problem cannot be solved faster than naive multiplication in the worst-case. This lower bound holds even in the average-case, implying that existing average-case analyses cannot explain this gap between theory and practice. Hence, we study the problem for \emph{structured} matrices. We show that for $n\times n$ Boolean matrices of VC-dimension $d$, the matrix-vector multiplication problem can be solved with $\smash{\tilde{O}(n^2)}$ preprocessing and $\smash{\tilde O(n^{2-1/d})}$ query time. Given the low constant VC-dimensions observed in most real-world data, our results posit an explanation for why the problem can be solved so much faster in practice. Furthermore, we show how to extend this result to the non-Boolean setting with the Pollard pseudodimension. Our results yield the first non-trivial upper bounds for many applications. In previous works, the online matrix-vector (OMv) hypothesis (conjecturing that quadratic time is needed per query, even over the boolean semi-ring) was used to prove many conditional lower bounds, showing that it is impossible to compute and maintain high-accuracy estimates for effective resistance, Laplacian solvers, shortest paths, and triangle detection in graphs subject to node insertions and deletions in subquadratic time. Yet, via a reduction to our matrix-vector-multiplication result, we show we can maintain these problems efficiently if the input is structured, providing the first subquadratic upper bounds in the high-accuracy regime.

3D Gaussian Splatting (3DGS) has emerged as a high-fidelity and efficient paradigm for online free-viewpoint video (FVV) reconstruction, offering viewers rapid responsiveness and immersive experiences. However, existing online methods face challenge in prohibitive storage requirements primarily due to point-wise modeling that fails to exploit the motion properties. To address this limitation, we propose a novel Compact Gaussian Streaming (ComGS) framework, leveraging the locality and consistency of motion in dynamic scene, that models object-consistent Gaussian point motion through keypoint-driven motion representation. By transmitting only the keypoint attributes, this framework provides a more storage-efficient solution. Specifically, we first identify a sparse set of motion-sensitive keypoints localized within motion regions using a viewspace gradient difference strategy. Equipped with these keypoints, we propose an adaptive motion-driven mechanism that predicts a spatial influence field for propagating keypoint motion to neighboring Gaussian points with similar motion. Moreover, ComGS adopts an error-aware correction strategy for key frame reconstruction that selectively refines erroneous regions and mitigates error accumulation without unnecessary overhead. Overall, ComGS achieves a remarkable storage reduction of over 159 × compared to 3DGStream and 14 × compared to the SOTA method QUEEN, while maintaining competitive visual fidelity and rendering speed. Project page: https://chenjiacong-1005.github.io/ComGS/.

Recently, large vision-language models (LVLMs) have rapidly gained popularity for their strong generation and reasoning capabilities given diverse multimodal inputs. However, these models incur significant computational and memory overhead during inference, which greatly hinders the efficient deployment in practical scenarios. The extensive key-value (KV) cache, necessitated by the lengthy input and output sequences, notably contributes to the high inference cost. Based on this, recent works have investigated ways to reduce the KV cache size for higher efficiency. Although effective, they generally overlook the distinct importance distributions of KV vectors across layers and maintain the same cache size for each layer during the next token prediction. This results in the significant contextual information loss for certain layers, leading to notable performance decline. To address this, we present PrefixKV. It reframes the challenge of determining KV cache sizes for all layers into the task of searching for the optimal global prefix configuration. With an adaptive layer-wise KV retention recipe based on binary search, the maximum contextual information can thus be preserved in each layer, facilitating the generation. Extensive experiments demonstrate that our method achieves the state-of-the-art performance compared with others. It exhibits superior inference efficiency and generation quality trade-offs, showing promising potential for practical applications. Code is available at https://github.com/THU-MIG/PrefixKV.

The next frontier of online advertising is revenue generation from LLM-generated content. We consider a setting where advertisers aim to influence the responses of an LLM, while platforms seek to maximize advertiser value and ensure user satisfaction. The challenge is that advertisers' preferences generally conflict with those of the user, and advertisers may misreport their preferences. To address this, we introduce MOSAIC, an auction mechanism that ensures that truthful reporting is a dominant strategy for advertisers and that aligns the utility of each advertiser with their contribution to social welfare. Importantly, the mechanism operates without LLM fine-tuning or access to model weights and provably converges to the output of the optimally fine-tuned LLM as computational resources increase. Additionally, it can incorporate contextual information about advertisers, which significantly improves social welfare. Via experiments with publicly available LLMs, we show that MOSAIC leads to high advertiser value and platform revenue with low computational costs. While our motivating application is online advertising, our mechanism can be applied in any setting with monetary transfers, making it a general-purpose solution for truthfully aggregating the preferences of self-interested agents over LLM-generated replies.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and $L_2$ loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables \emph{analytical} construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as \ours{} (\emph{\underline{Co}mposing \underline{G}lobal \underline{S}olutions}). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of \emph{sum potentials}, which are ring homomorphisms, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around $95\%$ of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global solutions constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that overparameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global solutions such as perfect memorization are unfavorable. The code is open sourced\footnote{\url{https://github.com/facebookresearch/luckmatters/tree/yuandong3/ssl/real-dataset}}.

Determining the precise geographic location of an image at a global scale remains an unsolved challenge. Standard image retrieval techniques are inefficient due to the sheer volume of images (>100M) and fail when coverage is insufficient. Scalable solutions, however, involve a trade-off: global classification typically yields coarse results (10+ kilometers), while cross-view retrieval between ground and aerial imagery suffers from a domain gap and has been primarily studied on smaller regions. This paper introduces a hybrid approach that achieves fine-grained geo-localization across a large geographic expanse the size of a continent. We leverage a proxy classification task during training to learn rich feature representations that implicitly encode precise location information. We combine these learned prototypes with embeddings of aerial imagery to increase robustness to the sparsity of ground-level data. This enables direct, fine-grained retrieval over areas spanning multiple countries. Our extensive evaluation demonstrates that our approach can localize within 200m more than 68\% of queries of a dataset covering a large part of Europe. The code is publicly available at [scaling-geoloc.github.io](https://scaling-geoloc.github.io).

Data augmentation using generative models has emerged as a powerful paradigm for enhancing performance in computer vision tasks. However, most existing augmentation approaches primarily focus on optimizing intrinsic data attributes -- such as fidelity and diversity -- to generate visually high-quality synthetic data, while often neglecting task-specific requirements. Yet, it is essential for data generators to account for the needs of downstream tasks, as training data requirements can vary significantly across different tasks and network architectures. To address these limitations, we propose UtilGen, a novel utility-centric data augmentation framework that adaptively optimizes the data generation process to produce task-specific, high-utility training data via downstream task feedback. Specifically, we first introduce a weight allocation network to evaluate the task-specific utility of each synthetic sample. Guided by these evaluations, UtilGen iteratively refines the data generation process using a dual-level optimization strategy to maximize the synthetic data utility: (1) model-level optimization tailors the generative model to the downstream task, and (2) instance-level optimization adjusts generation policies -- such as prompt embeddings and initial noise -- at each generation round. Extensive experiments on eight benchmark datasets of varying complexity and granularity demonstrate that UtilGen consistently achieves superior performance, with an average accuracy improvement of 3.87\% over previous SOTA. Further analysis of data influence and distribution reveals that UtilGen produces more impactful and task-relevant synthetic data, validating the effectiveness of the paradigm shift from visual characteristics-centric to task utility-centric data augmentation.

In-context learning (ICL) enables large language models to perform few-shot learning by conditioning on labeled examples in the prompt. Despite its flexibility, ICL suffers from instability -- especially as prompt length increases with more demonstrations. To address this, we treat ICL as a source of weak supervision and propose a parameter-efficient method that disentangles demonstration-induced latent shifts from those of the query. An ICL-based teacher generates pseudo-labels on unlabeled queries, while a student predicts them using only the query input, updating a lightweight adapter. This captures demonstration effects in a compact, reusable form, enabling efficient inference while remaining composable with new demonstrations. Although trained on noisy teacher outputs, the student often outperforms its teacher through pseudo-label correction and coverage expansion, consistent with the weak-to-strong generalization effect. Empirically, our method improves generalization, stability, and efficiency across both in-domain and out-of-domain tasks, surpassing standard ICL and prior disentanglement methods.

This paper proposes **$\mathcal{X}^2$-DFD**, an **e$\mathcal{X}$plainable** and **e$\mathcal{X}$tendable** framework based on multimodal large-language models (MLLMs) for deepfake detection, consisting of three key stages. The first stage, *Model Feature Assessment*, systematically evaluates the detectability of forgery-related features for the MLLM, generating a prioritized ranking of features based on their intrinsic importance to the model. The second stage, *Explainable Dataset Construction*, consists of two key modules: *Strong Feature Strengthening*, which is designed to enhance the model’s existing detection and explanation capabilities by reinforcing its well-learned features, and *Weak Feature Supplementing*, which addresses gaps by integrating specific feature detectors (e.g., low-level artifact analyzers) to compensate for the MLLM’s limitations. The third stage, Fine-tuning and Inference, involves fine-tuning the MLLM on the constructed dataset and deploying it for final detection and explanation. By integrating these three stages, our approach enhances the MLLM's strengths while supplementing its weaknesses, ultimately improving both the detectability and explainability. Extensive experiments and ablations, followed by a comprehensive human study, validate the improved performance of our approach compared to the original MLLMs. More encouragingly, our framework is designed to be plug-and-play, allowing it to seamlessly integrate with future more advanced MLLMs and specific feature detectors, leading to continual improvement and extension to face the challenges of rapidly evolving deepfakes. Code can be found on https://github.com/chenyize111/X2DFD.

Chain-of-thought (CoT) reasoning in large language models (LLMs) can be formalized as a latent variable problem, where the model needs to generate intermediate reasoning steps. While prior approaches such as iterative reward-ranked fine-tuning (RAFT) have relied on such formulations, they typically apply uniform inference budgets across prompts, which fails to account for variability in difficulty and convergence behavior. This work identifies the main bottleneck in CoT training as inefficient stochastic gradient estimation due to static sampling strategies. We propose GVM-RAFT, a prompt-specific Dynamic Sample Allocation Strategy designed to minimize stochastic gradient variance under a computational budget constraint. The method dynamically allocates computational resources by monitoring prompt acceptance rates and stochastic gradient norms, ensuring that the resulting gradient variance is minimized. Our theoretical analysis shows that the proposed dynamic sampling strategy leads to accelerated convergence guarantees under suitable conditions. Experiments on mathematical reasoning show that GVM-RAFT achieves a 2-4x speedup and considerable accuracy improvements over vanilla RAFT. The proposed dynamic sampling strategy is general and can be incorporated into other reinforcement learning algorithms, such as GRPO, leading to similar improvements in convergence and test accuracy.

Language models deployed in real-world systems often require post-hoc updates to incorporate new or corrected knowledge. However, editing such models efficiently and reliably—without retraining or forgetting previous information—remains a major challenge. Existing methods for lifelong model editing either compromise generalization, interfere with past edits, or fail to scale to long editing sequences. We propose MEMOIR, a novel scalable framework that injects knowledge through a residual memory, i.e., a dedicated parameter module, while preserving the core capabilities of the pre-trained model. By sparsifying input activations through data-dependent masks, MEMOIR confines each edit to a distinct subset of the memory parameters, minimizing interference among edits. At inference, it identifies relevant edits by comparing the sparse activation patterns of new queries to those stored during editing. This enables generalization to rephrased queries by activating only the relevant knowledge while suppressing unnecessary memory activation for unrelated prompts. Experiments on question answering, hallucination correction, and out-of-distribution generalization benchmarks across LLaMA-3 and Mistral demonstrate that MEMOIR achieves state-of-the-art performance across reliability, generalization, and locality metrics, scaling to thousands of sequential edits with minimal forgetting.

Since the seminal work of TabPFN, research on tabular foundation models (TFMs) based on in-context learning (ICL) has challenged long-standing paradigms in machine learning. Without seeing any real-world data, models pretrained on purely synthetic datasets generalize remarkably well across diverse datasets, often using only a moderate number of in-context examples. This shifts the focus in tabular machine learning from model architecture design to the design of synthetic datasets, or, more precisely, to the prior distributions that generate them. Yet the guiding principles for prior design remain poorly understood. This work marks the first attempt to address the gap. We systematically investigate and identify key properties of synthetic priors that allow pretrained TFMs to generalize well. Based on these insights, we introduce Mitra, a TFM trained on a curated mixture of synthetic priors selected for their diversity, distinctiveness, and performance on real-world tabular data. Mitra consistently outperforms state-of-the-art TFMs, such as TabPFNv2 and TabICL, across both classification and regression benchmarks, with better sample efficiency.

We introduce **MLRC-Bench**, a benchmark designed to quantify how effectively language agents can tackle challenging **M**achine **L**earning (ML) **R**esearch **C**ompetitions, with a focus on open research problems that demand novel methodologies. Unlike prior work, e.g., AI Scientist, which evaluates the end-to-end agentic pipeline by using LLM-as-a-judge, MLRC-Bench measures the key steps of proposing and implementing novel research methods and evaluates them with rigorous protocol and objective metrics. Our curated suite of 7 competition tasks reveals significant challenges for LLM agents. Even the best-performing tested agent (gemini-exp-1206 under MLAB) closes only 9.3% of the gap between baseline and top human participant scores. Furthermore, our analysis reveals a misalignment between the *LLM-judged* innovation and their *actual* performance on cutting-edge ML research problems. MLRC-Bench is a dynamic benchmark, which is designed to continually grow with new ML competitions to encourage rigorous and objective evaluations of AI’s research capabilities. Our leaderboard and code are publicly available at https://huggingface.co/spaces/launch/MLRC_Bench.

Coreset selection methods have shown promise in reducing the training data size while maintaining model performance for data-efficient machine learning. However, many large real-world datasets suffer from unknown spurious correlations and hidden biases. Therefore, it is crucial to understand how such biases would affect downstream tasks via the selected coresets. In this work, we conduct the first comprehensive analysis of the implications of data selection on the bias levels of the selected coresets and the robustness of downstream models trained on them. We use an extensive experimental setting spanning ten different spurious correlations benchmarks, five score metrics to characterize sample importance/ difficulty, and five data selection policies across a broad range of coreset sizes to identify important patterns and derive insights. Thereby, we unravel a series of nontrivial nuances in well-known interactions between sample difficulty and bias alignment, as well as dataset bias and resultant model robustness. For example, we show that embedding-based sample characterizations run a comparatively lower risk of inadvertently exacerbating bias when used for selecting coresets compared to characterizations based on learning dynamics. Our analysis also reveals that lower bias levels achieved by coresets of difficult samples do not reliably guarantee downstream robustness. Most importantly, we show that special considerations need to be made when the coreset size is very small, since there is a unique risk of highly prototypical coresets reaching high average performance while obscuring their low group-robustness.

Learning dynamics is essential for model-based control and Reinforcement Learning in systems operating in changing environments, such as robotics, autonomous vehicles, and power systems. However, limited system measurements, such as those from low-resolution meters, demand sample-efficient learning. Symmetry provides a powerful inductive bias by characterizing equivalent relations in system behavior to improve sample efficiency. While recent methods attempt to discover symmetries from data, they typically assume a single global symmetry group and treat symmetry discovery and dynamic learning as separate tasks, leading to limited expressiveness and error accumulation. In this paper, we propose the Latent Mixture of Symmetries (Latent MoS), an expressive model that captures symmetry-governed latent factors from complex dynamical measurements. Latent MoS focuses on dynamic learning while locally preserving the underlying symmetric transformations. To further capture long-range temporal equivalence, we introduce a hierarchical architecture that stacks Latent MoS blocks across multiple time scales. Numerical experiments across diverse physical systems demonstrate that Latent MoS significantly outperforms state-of-the-art baselines in interpolation and extrapolation tasks while offering interpretable latent representations suitable for future geometric and safety-critical analysis.