NeurIPS 2025 论文列表

Test-Time Adaptation (TTA) adjusts models using unlabeled test data to handle dynamic distribution shifts. However, existing methods rely on frequent adaptation and high computational cost, making them unsuitable for resource-constrained edge environments. To address this, we propose SNAP, a sparse TTA framework that reduces adaptation frequency and data usage while preserving accuracy. SNAP maintains competitive accuracy even when adapting based on only 1\% of the incoming data stream, demonstrating its robustness under infrequent updates. Our method introduces two key components: (i) Class and Domain Representative Memory (CnDRM), which identifies and stores a small set of samples that are representative of both class and domain characteristics to support efficient adaptation with limited data; and (ii) Inference-only Batch-aware Memory Normalization (IoBMN), which dynamically adjusts normalization statistics at inference time by leveraging these representative samples, enabling efficient alignment to shifting target domains. Integrated with five state-of-the-art TTA algorithms, SNAP reduces latency by up to 93.12\%, while keeping the accuracy drop below 3.3\%, even across adaptation rates ranging from 1\% to 50\%. This demonstrates its strong potential for practical use on edge devices serving latency-sensitive applications. The source code is available at https://github.com/chahh9808/SNAP.

We analyze task orderings in continual learning for linear regression, assuming joint realizability of training data. We focus on orderings that greedily maximize dissimilarity between consecutive tasks, a concept briefly explored in prior work but still surrounded by open questions. Using tools from the Kaczmarz method literature, we formalize such orderings and develop geometric and algebraic intuitions around them. Empirically, we demonstrate that greedy orderings converge faster than random ones in terms of the average loss across tasks, both for linear regression with random data and for linear probing on CIFAR-100 classification tasks. Analytically, in a high-rank regression setting, we prove a loss bound for greedy orderings analogous to that of random ones. However, under general rank, we establish a repetition-dependent separation. Specifically, while prior work showed that for random orderings, with or without replacement, the average loss after $k$ iterations is bounded by $\\mathcal{O}(1/\\sqrt{k})$—we prove that single-pass greedy orderings may fail catastrophically, whereas those allowing repetition converge at rate $\\mathcal{O}(1/\\sqrt[3]{k})$. Overall, we reveal nuances within and between greedy and random orderings.

Jailbreak attacks against large language models (LLMs) aim to induce harmful behaviors in LLMs through carefully crafted adversarial prompts. To mitigate attacks, one way is to perform adversarial training (AT)-based alignment, i.e., training LLMs on some of the most adversarial prompts to help them learn how to behave safely under attacks. During AT, the length of adversarial prompts plays a critical role in the robustness of aligned LLMs. While long-length adversarial prompts during AT might lead to strong LLM robustness, their synthesis however is very resource-consuming, which may limit the application of LLM AT. This paper focuses on adversarial suffix jailbreak attacks and unveils that to defend against a jailbreak attack with an adversarial suffix of length $\Theta(M)$, it is enough to align LLMs on prompts with adversarial suffixes of length $\Theta(\sqrt{M})$. Theoretically, we analyze the adversarial in-context learning of linear transformers on linear regression tasks and prove a robust generalization bound for trained transformers. The bound depends on the term $\Theta(\sqrt{M_{\text{test}}}/M_{\text{train}})$, where $M_{\text{train}}$ and $M_{\text{test}}$ are the numbers of adversarially perturbed in-context samples during training and testing. Empirically, we conduct AT on popular open-source LLMs and evaluate their robustness against jailbreak attacks of different adversarial suffix lengths. Results confirm a positive correlation between the attack success rate and the ratio of the square root of the adversarial suffix length during jailbreaking to the length during AT. Our findings show that it is practical to defend against "long-length" jailbreak attacks via efficient "short-length" AT. The code is available at https://github.com/fshp971/adv-icl.

Signed networks can reflect more complex connections through positive and negative edges, and cost-effective signed network sketching can significantly benefit an important link sign prediction task in the era of big data. Existing signed network embedding algorithms mainly learn node representation in the Graph Neural Network (GNN) framework with the balance theory. However, the node-wise representation learning methods either limit the representational power because they primarily rely on node pairwise relationship in the network, or suffer from severe efficiency issues. Recent research has explored simplicial complexes to capture higher-order interactions and integrated them into GNN frameworks. Motivated by that, we propose EdgeSketch+, a simple and effective edge embedding algorithm beyond traditional node-centric modeling that directly represents edges as low-dimensional vectors without transitioning from node embeddings. The proposed approach maintains a good balance between accuracy and efficiency by exploiting the Locality Sensitive Hashing (LSH) technique to swiftly capture the higher-order information derived from the simplicial complex in a manner of no learning processes. Experiments show that EdgeSketch+ matches state-of-the-art accuracy while significantly reducing runtime, achieving speedups of up to $546.07\times$ compared to GNN-based methods.

While Multimodal Large Language Models (MLLMs) offer strong perception and reasoning capabilities for image-text input, Visual Question Answering (VQA) focusing on small image details still remains a challenge. Although visual cropping techniques seem promising, recent approaches have several limitations: the need for task-specific fine-tuning, low efficiency due to uninformed exhaustive search, or incompatibility with efficient attention implementations. We address these shortcomings by proposing a training-free visual cropping method, dubbed FOCUS, that leverages MLLM-internal representations to guide the search for the most relevant image region. This is accomplished in four steps: first, we identify the target object(s) in the VQA prompt; second, we compute an object relevance map using the key-value (KV) cache; third, we propose and rank relevant image regions based on the map; and finally, we perform the fine-grained VQA task using the top-ranked region. As a result of this informed search strategy, FOCUS achieves strong performance across four fine-grained VQA datasets and three types of MLLMs. It outperforms three popular visual cropping methods in both accuracy and efficiency, and matches the best-performing baseline, ZoomEye, while requiring 3 – 6.5 × less compute.

Reinforcement learning is widely adopted in post-training large language models, especially for reasoning-style tasks such as maths questions. However, as we show, most existing methods will provably fail to learn from questions that are too hard, where the model always fails, or too easy, where the model always succeeds. Much human effort is therefore spent continually producing datasets of questions of a suitable difficulty for state-of-the-art models. Given this, we consider how to algorithmically identify questions that allow for maximally efficient training. We introduce a method, LILO (Learnability Improves LLMs Optimally), that prioritises training on questions with high variance of success, known as learnability, and we provide theory proving LILO maximises the expected improvement of the model. We run a wide range of experiments over multiple base models, algorithms and reasoning datasets to demonstrate that LILO consistently improves final test accuracy and can yield a 3x reduction in the number of training steps required to reach it. We explore how questions with high learnability can be efficiently identified, and discuss how learnability can be scaled to produce LLM agents that autonomously and open-endedly expand the frontier of human knowledge.

Developing improved predictive models for multi-molecular systems is crucial, as nearly every chemical product used results from a mixture of chemicals. While being a vital part of the industry pipeline, the chemical mixture space remains relatively unexplored by the Machine Learning (ML) community. In this paper, we introduce CheMixHub, a holistic benchmark for molecular mixtures spanning a corpus of 11 chemical mixtures property prediction tasks. With applications ranging from drug delivery formulations to battery electrolytes, CheMixHub currently totals approximately 500k data points gathered and curated from 7 publicly available datasets. We devise various data splitting techniques to assess context-specific generalization and model robustness, providing a foundation for the development of predictive models for chemical mixture properties. Furthermore, we map out the modelling space of deep learning models for chemical mixtures, establishing initial benchmarks for the community. This dataset has the potential to accelerate chemical mixture development, encompassing reformulation, optimization, and discovery. The dataset and code for the benchmarks can be found at: https://github.com/chemcognition-lab/chemixhub

Over more than a decade there has been an extensive research effort on how to effectively utilize recurrent models and attention. While recurrent models aim to compress the data into a fixed-size memory (called hidden state), attention allows attending to the entire context window, capturing the direct dependencies of all tokens. This more accurate modeling of dependencies, however, comes with a quadratic cost, limiting the model to a fixed-length context. We present a neural long-term memory module that learns to memorize historical context and helps attention to attend to the current context while utilizing long-past information. We show that this neural memory has the advantage of fast parallelizable training. From a memory perspective, we argue that attention due to its limited context but accurate dependency modeling performs as a short-term memory, while neural memory due to its ability to memorize the data, acts as a long-term, more persistent, memory. Based on these two modules, we introduce a new family of architectures, called Titans, and present three variants to address how one can effectively incorporate memory into this architecture. Our experimental results on language modeling, common-sense reasoning, and time series tasks show that Titans are effective compared to baselines, while they can effectively scale to larger context window in needle-in-haystack tasks.

Large Language Models (LLMs) are increasingly deployed in high-risk domains. However, state-of-the-art LLMs often produce hallucinations, raising serious concerns about their reliability. Prior work has explored adversarial attacks for hallucination elicitation in LLMs, but it often produces unrealistic prompts, either by inserting gibberish tokens or by altering the original meaning. As a result, these approaches offer limited insight into how hallucinations may occur in practice. While adversarial attacks in computer vision often involve realistic modifications to input images, the problem of finding realistic adversarial prompts for eliciting LLM hallucinations has remained largely underexplored. To address this gap, we propose Semantically Equivalent and Coherent Attacks (SECA) to elicit hallucinations via realistic modifications to the prompt that preserve its meaning while maintaining semantic coherence. Our contributions are threefold: (i) we formulate finding realistic attacks for hallucination elicitation as a constrained optimization problem over the input prompt space under semantic equivalence and coherence constraints; (ii) we introduce a constraint-preserving zeroth-order method to effectively search for adversarial yet feasible prompts; and (iii) we demonstrate through experiments on open-ended multiple-choice question answering tasks that SECA achieves higher attack success rates while incurring almost no constraint violations compared to existing methods. SECA highlights the sensitivity of both open-source and commercial gradient-inaccessible LLMs to realistic and plausible prompt variations. Code is available at https://github.com/Buyun-Liang/SECA.

Competitive programming is widely used to evaluate the coding and reasoning abilities of large language models. However, the growing presence of duplicate or highly similar problems raises concerns not only about competition fairness, but also about the validity of competitive programming as a benchmark for model evaluation. We introduce a retrieval-oriented benchmark suite for competitive programming, covering four retrieval tasks—two code-centric (Text-to-Code, Code-to-Code) and two newly proposed problem-centric tasks (Problem-to-Duplicate, Simplified-to-Full)—built from a combination of automatically crawled problem–solution data and manually curated annotations. Our contribution includes both high-quality training data and temporally separated test sets for reliable evaluation. We develop two task-specialized retrievers based on this dataset: CPRetriever-Code, trained with a novel Group-InfoNCE loss for problem–code alignment, and CPRetriever-Prob, fine-tuned for problem-level similarity. Both models achieve strong results and are open-sourced for local use. Finally, we analyze LiveCodeBench and find that high-similarity problems inflate model pass rates and reduce differentiation, underscoring the need for similarity-aware evaluation in future benchmarks.

Direct Preference Optimization (DPO) has emerged as an effective approach for aligning large language models (LLMs) with human preferences. However, its performance is highly dependent on the quality of the underlying human preference data. To address this bottleneck, prior work has explored various data selection strategies, but these methods often overlook the impact of the evolving states of the language model during the optimization process. In this paper, we introduce a novel problem: Sample Scheduling for DPO, which aims to dynamically and adaptively schedule training samples based on the model's evolving batch-wise states throughout preference optimization. To solve this problem, we propose SamS, an efficient and effective algorithm that adaptively selects samples in each training batch based on the LLM's learning feedback to maximize the potential generalization performance. Notably, without modifying the core DPO algorithm, simply integrating SamS significantly improves performance across tasks, with minimal additional computational overhead. This work points to a promising new direction for improving LLM alignment through batch-wise sample selection, with potential generalization to RLHF and broader supervised learning paradigms.

Recent advances in 3D scene reconstruction enable real-time viewing in virtual and augmented reality. To support interactive operations for better immersiveness, such as moving or editing objects, 3D scene inpainting methods are proposed to repair or complete the altered geometry. To support users in interacting (such as moving or editing objects) with the scene for the next level of immersiveness, 3D scene inpainting methods are developed to repair the altered geometry. However, current approaches rely on lengthy and computationally intensive optimization, making them impractical for real-time or online applications. We propose InstaInpaint, a reference-based feed-forward framework that produces 3D-scene inpainting from a 2D inpainting proposal within 0.4 seconds. We develop a self-supervised masked-finetuning strategy to enable training of our custom large reconstruction model (LRM) on the large-scale dataset. Through extensive experiments, we analyze and identify several key designs that improve generalization, textural consistency, and geometric correctness. InstaInpaint achieves a 1000$\times$ speed-up from prior methods while maintaining a state-of-the-art performance across two standard benchmarks. Moreover, we show that InstaInpaint generalizes well to flexible downstream applications such as object insertion and multi-region inpainting.

Continual model merging integrates independently fine-tuned models sequentially without access to the original training data, offering a scalable and efficient solution for continual learning. However, existing methods face two critical challenges: parameter interference among tasks, which leads to catastrophic forgetting, and limited adaptability to evolving test distributions. To address these issues, we introduce the task of Test-Time Continual Model Merging (TTCMM), which leverages a small set of unlabeled test samples during inference to alleviate parameter conflicts and handle distribution shifts. We propose MINGLE, a novel framework for TTCMM. MINGLE employs a mixture-of-experts architecture with parameter-efficient, low-rank experts, which enhances adaptability to evolving test distributions while dynamically merging models to mitigate conflicts. To further reduce forgetting, we propose Null-Space Constrained Gating, which restricts gating updates to subspaces orthogonal to prior task representations, thereby suppressing activations on old tasks and preserving past knowledge. We further introduce an Adaptive Relaxation Strategy that adjusts constraint strength dynamically based on interference signals observed during test-time adaptation, striking a balance between stability and adaptability. Extensive experiments on standard continual merging benchmarks demonstrate that MINGLE achieves robust generalization, significantly reduces forgetting, and consistently surpasses previous state-of-the-art methods by 7–9% on average across diverse task orders. Our code is available at: https://github.com/zihuanqiu/MINGLE

Visual grounding is essential for precise perception and reasoning in multimodal large language models (MLLMs), especially in medical imaging domains. While existing medical visual grounding benchmarks primarily focus on single-image scenarios, real-world clinical applications often involve sequential images, where accurate lesion localization across different modalities and temporal tracking of disease progression (e.g., pre- vs. post-treatment comparison) require fine-grained cross-image semantic alignment and context-aware reasoning. To remedy the underrepresentation of image sequences in existing medical visual grounding benchmarks, we propose MedSG-Bench, the first benchmark tailored for Medical Image Sequences Grounding. It comprises eight VQA-style tasks, formulated into two paradigms of the grounding tasks, including 1) Image Difference Grounding, which focuses on detecting change regions across images, and 2) Image Consistency Grounding, which emphasizes detection of consistent or shared semantics across sequential images. MedSG-Bench covers 76 public datasets, 10 medical imaging modalities, and a wide spectrum of anatomical structures and diseases, totaling 9,630 question–answer pairs. We benchmark both general-purpose MLLMs (e.g., Qwen2.5-VL) and medical-domain specialized MLLMs (e.g., HuatuoGPT-vision), observing that even the advanced models exhibit substantial limitations in medical sequential grounding tasks. To advance this field, we construct MedSG-188K, a large-scale instruction-tuning dataset tailored for sequential visual grounding, and further develop MedSeq-Grounder, an MLLM designed to facilitate future research on fine-grained understanding across medical sequential images. We release all resources on https://github.com/Yuejingkun/MedSG-Bench

Prompt caching is critical for reducing latency and cost in LLM inference---OpenAI and Anthropic report up to 50–90\% cost savings through prompt reuse. Despite its widespread success, little is known about what constitutes an optimal prompt caching policy, particularly when optimizing tail latency—a metric of central importance to practitioners. The widely used Least Recently Used (LRU) policy can perform arbitrarily poor on this metric, as it is oblivious to the heterogeneity of conversation lengths. To address this gap, we propose Tail-Optimized LRU, a simple two-line modification that reallocates KV cache capacity to prioritize high-latency conversations by evicting cache entries that are unlikely to affect future turns. Though the implementation is simple, we prove its optimality under a natural stochastic model of conversation dynamics, providing the first theoretical justification for LRU in this setting---a result that may be of independent interest to the caching community. Experimentally, on real conversation data WildChat~\citep{zhao2024wildchat}, Tail-Optimized LRU achieves up to 27.5\% reduction in P90 tail Time to First Token latency and 23.9\% in P95 tail latency compared to LRU, along with up to 38.9\% decrease in SLO violations of 200ms. We believe this provides a practical and theoretically grounded option for practitioners seeking to optimize tail latency in real-world LLM deployments.

With the ever-increasing volume of visual data, the efficient and lossless transmission, along with its subsequent interpretation and understanding, has become a critical bottleneck in modern information systems. The emerged codebook-based solution utilize a globally shared codebook to quantize and dequantize each token, controlling the bpp by adjusting the number of tokens or the codebook size. However, for facial images—which are rich in attributes—such global codebook strategies overlook both the category-specific correlations within images and the semantic differences among tokens, resulting in suboptimal performance, especially at low bpp. Motivated by these observations, we propose a Switchable Token-Specific Codebook Quantization for face image compression, which learns distinct codebook groups for different image categories and assigns an independent codebook to each token. By recording the codebook group to which each token belongs with a small number of bits, our method can reduce the loss incurred when decreasing the size of each codebook group. This enables a larger total number of codebooks under a lower overall bpp, thereby enhancing the expressive capability and improving reconstruction performance. Owing to its generalizable design, our method can be integrated into any existing codebook-based representation learning approach and has demonstrated its effectiveness on face recognition datasets, achieving an average accuracy of 93.51\% for reconstructed images at 0.05 bpp.

This work proposes the Lattice Boltzmann Model (LBM) to learn real-world pixel dynamicity for visual tracking. LBM decomposes visual representations into dynamic pixel lattices and solves pixel motion states through collision-streaming processes. Specifically, the high-dimensional distribution of the target pixels is acquired through a multilayer predict-update network to estimate the pixel positions and visibility. The predict stage formulates lattice collisions among the spatial neighborhood of target pixels and develops lattice streaming within the temporal visual context. The update stage rectifies the pixel distributions with online visual representations. Compared with existing methods, LBM demonstrates practical applicability in an online and real-time manner, which can efficiently adapt to real-world visual tracking tasks. Comprehensive evaluations of real-world point tracking benchmarks such as TAP-Vid and RoboTAP validate LBM's efficiency. A general evaluation of large-scale open-world object tracking benchmarks such as TAO, BFT, and OVT-B further demonstrates LBM's real-world practicality.

Recent reasoning-focused language models achieve high accuracy by generating lengthy intermediate reasoning paths before producing final answers. While this approach is effective in solving problems that require logical thinking, long reasoning paths significantly increase memory usage and reduce throughput of token generation, limiting the practical deployment of such models. We propose Reasoning Path Compression (RPC), a training-free method that accelerates inference by leveraging the semantic sparsity of reasoning paths. RPC periodically compresses the KV cache by retaining cache entries that receive high importance score, which are computed using a selector window composed of recently generated queries. Experiments show that RPC improves generation throughput of QwQ-32B by up to 1.60$\times$ compared to the inference with full KV cache, with an accuracy drop of 1.2\% on the AIME 2024 benchmark. Our findings demonstrate that semantic sparsity in reasoning traces can be effectively exploited for compression, offering a practical path toward efficient deployment of reasoning LLMs. Our code is available at https://github.com/jiwonsong-dev/ReasoningPathCompression.

While tabular machine learning has achieved remarkable success, temporal distribution shifts pose significant challenges in real-world deployment, as the relationships between features and labels continuously evolve. Static models assume fixed mappings to ensure generalization, whereas adaptive models may overfit to transient patterns, creating a dilemma between robustness and adaptability. In this paper, we analyze key factors essential for constructing an effective dynamic mapping for temporal tabular data. We discover that evolving feature semantics—particularly objective and subjective meanings—introduce concept drift over time. Crucially, we identify that feature transformation strategies are able to mitigate discrepancies in feature representations across temporal stages. Motivated by these insights, we propose a feature-aware temporal modulation mechanism that conditions feature representations on temporal context, modulating statistical properties such as scale and skewness. By aligning feature semantics across time, our approach achieves a lightweight yet powerful adaptation, effectively balancing generalizability and adaptability. Benchmark evaluations validate the effectiveness of our method in handling temporal shifts in tabular data.