NeurIPS 2025 Papers

KV cache technology, by storing key-value pairs, helps reduce the computational overhead incurred by *large language models* (LLMs). It facilitates their deployment on resource-constrained edge computing nodes like edge servers. However, as the complexity and size of tasks increase, KV cache usage leads to substantial GPU memory consumption. Existing research has focused on mitigating KV cache memory usage through sequence length reduction, task-specific compression, and dynamic eviction policies. However, these methods are computationally expensive for resource-constrained edge computing nodes. To tackle this challenge, this paper presents Sim-LLM, a novel inference optimization mechanism that leverages task similarity to reduce KV cache memory consumption for LLMs. By caching KVs from processed tasks and reusing them for subsequent similar tasks during inference, Sim-LLM significantly reduces memory consumption while boosting system throughput and increasing maximum batch size, all with minimal accuracy degradation. Evaluated on both A40 and A100 GPUs, Sim-LLM achieves a system throughput improvement of up to 39.40\% and a memory reduction of up to 34.65%, compared to state-of-the-art approaches. Our source code is available at https://github.com/CGCL-codes/SimLLM.

There is growing interest in integrating high-fidelity visual synthesis capabilities into large language models (LLMs) without compromising their strong reasoning capabilities. Existing methods that directly train LLMs or bridge LLMs and diffusion models usually suffer from costly training since the backbone LLMs have not seen image representations during pretraining. We present Bifrost-1, a unified framework that bridges pretrained multimodal LLMs (MLLMs) and diffusion models using patch-level CLIP image embeddings as latent variables, which are natively aligned with the MLLM's CLIP visual encoder. These patch-level image embeddings are integrated into the diffusion model with a lightweight adaptation of its ControlNet. To retain the original multimodal reasoning capabilities of MLLMs, we equip the MLLM with a visual generation branch initialized from the original MLLM parameters when predicting the patch-level image embeddings. By seamlessly integrating pretrained MLLMs and diffusion models with patch-level CLIP latents, our framework enables high-fidelity controllable image generation with significant training efficiency. Our experiments demonstrate that Bifrost-1 achieves comparable or better performance than previous methods in terms of visual fidelity and multimodal understanding, with substantially lower compute during training. We also provide comprehensive ablation studies showing the effectiveness of our design choices. Project page: https://bifrost-1.github.io.

Understanding infographic charts with design-driven visual elements (e.g., pictograms, icons) requires both visual recognition and reasoning, posing challenges for multimodal large language models (MLLMs). However, existing visual question answering benchmarks fall short in evaluating these capabilities of MLLMs due to the lack of paired plain charts and visual-element-based questions. To bridge this gap, we introduce InfoChartQA, a benchmark for evaluating MLLMs on infographic chart understanding. It includes 5,642 pairs of infographic and plain charts, each sharing the same underlying data but differing in visual presentations. We further design visual-element-based questions to capture their unique visual designs and communicative intent. Evaluation of 20 MLLMs reveals a substantial performance decline on infographic charts, particularly for visual-element-based questions related to metaphors. The paired infographic and plain charts enable fine-grained error analysis and ablation studies, which highlight new opportunities for advancing MLLMs in infographic chart understanding. We release InfoChartQA at https://github.com/CoolDawnAnt/InfoChartQA.

Despite widespread adoption, multimodal large language models (MLLMs) suffer performance degradation when encountering unfamiliar queries under distribution shifts. Existing methods to improve MLLM generalization typically require either more instruction data or larger advanced model architectures, both of which incur non-trivial human labor or computational costs. In this work, we take an alternative approach to enhance the generalization and robustness of MLLMs under distribution shifts, from a representation learning perspective. Inspired by information bottleneck (IB) principle, we derive a variational lower bound of the IB for MLLMs and devise a practical implementation, Visual Instruction Bottleneck Tuning (Vittle). We then provide a theoretical justification of Vittle by revealing its connection to an information-theoretic robustness metric of MLLM. Empirical validation of multiple MLLMs on open-ended and closed-form question answering and object hallucination detection tasks over 45 datasets, including 30 shift scenarios, demonstrates that Vittle consistently improves the MLLM's robustness under shifts by pursuing the learning of a minimal sufficient representation.

As textual reasoning with large language models (LLMs) has advanced significant, there has been growing interest in enhancing the multimodal reasoning capabilities of large vision-language models (LVLMs). However, existing methods primarily approach multimodal reasoning in a straightforward, text-centric manner, where both reasoning and answer derivation are conducted purely through text, with the only difference being the presence of multimodal input. As a result, these methods often encounter fundamental limitations in spatial reasoning tasks that demand precise geometric understanding and continuous spatial tracking\textemdash capabilities that humans achieve through mental visualization and manipulation. To address the limitations, we propose drawing to reason in space, a novel paradigm that enables LVLMs to reason through elementary drawing operations in the visual space. By equipping models with basic drawing operations including annotating bounding boxes and drawing auxiliary lines, we empower them to express and analyze spatial relationships through direct visual manipulation, meanwhile avoiding the performance ceiling imposed by specialized perception tools in previous tool-integrated reasoning approaches. To cultivate this capability, we develop a three-stage training framework: cold-start training with synthetic data to establish basic drawing abilities, reflective rejection sampling to enhance self-reflection behaviors, and reinforcement learning to directly optimize for target rewards. Extensive experiments demonstrate that our model, named \textsc{Spark}, consistently outperforms existing methods across diverse spatial reasoning benchmarks involving maze navigation, static spatial reasoning, video-based reasoning and multi-view-based reasoning tasks, with an average improvement of 11.5\%. Ablation studies reveal the critical role of each training stage, with reflective rejection sampling particularly enhancing the model's self-correction capabilities and reasoning potential.

Continual learning (CL) aims to incrementally train a model to a sequence of tasks while maintaining performance on previously seen ones. Despite effectiveness in mitigating forgetting, data storage and replay may be infeasible due to privacy or security constraints, and are impractical or unavailable for arbitrary pre-trained models. Data-free or examplar-free CL aims to continually update models with new tasks without storing previous data. In addition to regularizing updates, we employ model inversion to synthesize data from the trained model, anchoring learned knowledge through replay without retaining old data. However, model inversion in predictive models faces two key challenges. First, generating inputs (e.g., images) solely from highly compressed output labels (e.g., classes) often causes drift between synthetic and real data. Replaying on such synthetic data can contaminate and erode knowledge learned from real data, further degrading inversion quality over time. Second, performing inversion is usually computationally expensive, as each iteration requires backpropagation through the entire model and many steps are needed for convergence. These problems are more severe with large pre-trained models such as Contrastive Language-Image Pre-training (CLIP) models. To improve model inversion efficiency, we propose Per-layer Model Inversion (PMI) approach inspired by the faster convergence of single-layer optimization. The inputs optimized from PMI provide strong initialization for full-model inversion, significantly reducing the number of iterations required for convergence. To address feature distribution shift, we model class-wise feature distribution using a Gaussian distribution and preserve distributional information with a contrastive model. Sampling features for inversion ensures alignment between synthetic and real feature distributions. Combining PMI and feature modeling, we demonstrate the feasibility of incrementally training models on new classes by generating data from pseudo image features mapped through semantic-aware feature projection. Our method shows strong effectiveness and compatibility across multiple CL settings.

Evaluating natural language generation (NLG) systems remains a core challenge, further complicated by the rise of general-purpose large language models (LLMs). Recently, large language models as judges (LLJs) have emerged as a scalable, cost-effective alternative to traditional metrics, but their validity remains underexplored. This position paper argues that the current enthusiasm around LLJs may be premature, as their adoption has outpaced rigorous scrutiny of their reliability and validity as evaluators. Drawing on measurement theory from the social sciences, we identify and critically assess four core assumptions underlying the use of LLJs: their ability to act as proxies for human judgment, their capabilities as evaluators, their scalability, and their cost-effectiveness. We examine how each of these assumptions may be challenged by the inherent limitations of LLMs, LLJs, or current practices in NLG evaluation. To ground our analysis, we explore three applications of LLJs at various stages of the machine learning pipeline: text summarization, data annotation and safety alignment. Finally, we highlight the need for more responsible evaluation practices in LLJs evaluation, to ensure that their growing role in the field supports, rather than undermines, progress in NLG.

Vision-Language Navigation in Continuous Environments (VLN-CE) poses a formidable challenge for autonomous agents, requiring seamless integration of natural language instructions and visual observations to navigate complex 3D indoor spaces. Existing approaches often falter in long-horizon tasks due to limited scene understanding, inefficient planning, and lack of robust decision-making frameworks. We introduce the \textbf{Hierarchical Semantic-Augmented Navigation (HSAN)} framework, a groundbreaking approach that redefines VLN-CE through three synergistic innovations. First, HSAN constructs a dynamic hierarchical semantic scene graph, leveraging vision-language models to capture multi-level environmental representations—from objects to regions to zones—enabling nuanced spatial reasoning. Second, it employs an optimal transport-based topological planner, grounded in Kantorovich's duality, to select long-term goals by balancing semantic relevance and spatial accessibility with theoretical guarantees of optimality. Third, a graph-aware reinforcement learning policy ensures precise low-level control, navigating subgoals while robustly avoiding obstacles. By integrating spectral graph theory, optimal transport, and advanced multi-modal learning, HSAN addresses the shortcomings of static maps and heuristic planners prevalent in prior work. Extensive experiments on multiple challenging VLN-CE datasets demonstrate that HSAN achieves state-of-the-art performance, with significant improvements in navigation success and generalization to unseen environments.

Remote sensing is critical for disaster monitoring, yet existing datasets lack temporal image pairs and detailed textual annotations. While single-snapshot imagery dominates current resources, it fails to capture dynamic disaster impacts over time. To address this gap, we introduce the Remote Sensing Change Caption (RSCC) dataset, a large-scale benchmark comprising 62,351 pre-/post-disaster image pairs (spanning earthquakes, floods, wildfires, and more) paired with rich, human-like change captions. By bridging the temporal and semantic divide in remote sensing data, RSCC enables robust training and evaluation of vision-language models for disaster-aware bi-temporal understanding. Our results highlight RSCC’s ability to facilitate detailed disaster-related analysis, paving the way for more accurate, interpretable, and scalable vision-language applications in remote sensing. Code and dataset are available at https://github.com/Bili-Sakura/RSCC.

Real-world objects are composed of distinctive, object-specific parts. Identifying these parts is key to performing fine-grained, compositional reasoning—yet, large multimodal models (LMMs) struggle to perform this seemingly straightforward task. In this work, we introduce PARTONOMY, an LMM benchmark designed for pixel-level part grounding. We construct PARTONOMY from existing part datasets and our own rigorously annotated set of images, encompassing 862 parts and 5346 objects for evaluation. Unlike existing datasets that simply ask models to identify generic parts, PARTONOMY utilizes highly technical concepts and challenges models to compare objects’ parts, consider part-whole relationships, and justify textual predictions with visual segmentations. Our experiments demonstrate significant limitations in state-of-the-art LMMs (e.g., LISA-13B achieves only 5.9% gIoU), highlighting a critical gap in their part grounding abilities. We note that existing segmentation-enabled LMMs (segmenting LMMs) have two key architectural shortcomings: they use special [SEG] tokens not seen during pretraining which induce distribution shift, and they discard predicted segmentations instead of using past predictions to guide future ones. To address these deficiencies, we train several part-centric LMMs and propose PLUM, a novel segmenting LMM that utilizes span tagging instead of segmentation tokens and that conditions on prior predictions in a feedback loop. We find that pretrained PLUM dominates existing segmenting LMMs on reasoning segmentation, VQA, and visual hallucination benchmarks. In addition, PLUM finetuned on our proposed Explanatory Part Segmentation task is competitive with segmenting LMMs trained on significantly more segmentation data. Our work opens up new avenues towards enabling fine-grained, grounded visual understanding in LMMs.

Large Language Models (LLMs) have shown strong potential for recommendation by framing item prediction as a token-by-token language generation task. However, existing methods treat all item tokens equally, simply pursuing likelihood maximization during both optimization and decoding. This overlooks crucial token-level differences in decisiveness—many tokens contribute little to item discrimination yet can dominate optimization or decoding. To quantify token decisiveness, we propose a novel perspective that models item generation as a decision process, measuring token decisiveness by the Information Gain (IG) each token provides in reducing uncertainty about the generated item. Our empirical analysis reveals that most tokens have low IG but often correspond to high logits, disproportionately influencing training loss and decoding, which may impair model performance. Building on these insights, we introduce an Information Gain-based Decisiveness-aware Token handling (IGD) strategy that integrates token decisiveness into both tuning and decoding. Specifically, IGD downweights low-IG tokens during tuning and rebalances decoding to emphasize tokens with high IG. In this way, IGD moves beyond pure likelihood maximization, effectively prioritizing high-decisiveness tokens. Extensive experiments on four benchmark datasets with two LLM backbones demonstrate that IGD consistently improves recommendation accuracy, achieving significant gains on widely used ranking metrics compared to strong baselines. Our codes are available at \url{https://github.com/ZJLin2oo1/IGD}.

Existing early and late fusion frameworks in multimodal learning are confronted with the fundamental challenge of modality imbalance, wherein disparities in representational capacities induce inter-modal competition during training. Current research methodologies primarily rely on modality-level contribution assessments to measure gaps in representational capabilities and enhance poorly learned modalities, overlooking the dynamic variations of modality contributions across individual samples. To address this, we propose a Causal-aware Modality valuation approach for Balanced multimodal learning (CMoB). We define a benefit function based on Shannon's theory of informational uncertainty to evaluate the changes in the importance of samples across different stages of multimodal training. Inspired by human cognitive science, we propose a causal-aware modality contribution quantification method from a causal perspective to capture fine-grained changes in modality contribution degrees within samples. In the iterative training of multimodal learning, we develop targeted modal enhancement strategies that dynamically select and optimize modalities based on real-time evaluation of their contribution variations across training samples. Our method enhances the discriminative ability of key modalities and the learning capacity of weak modalities while achieving fine-grained balance in multimodal learning. Extensive experiments on benchmark multimodal datasets and multimodal frameworks demonstrate the superiority of our CMoB approach for balanced multimodal learning.

Vision-Language Models (VLMs) exhibit impressive performance, yet the integration of powerful vision encoders has significantly broadened their attack surface, rendering them increasingly susceptible to jailbreak attacks. However, lacking well-defined attack objectives, existing jailbreak methods often struggle with gradient-based strategies prone to local optima and lacking precise directional guidance, and typically decouple visual and textual modalities, thereby limiting their effectiveness by neglecting crucial cross-modal interactions. Inspired by the Eliciting Latent Knowledge (ELK) framework, we posit that VLMs encode safety-relevant information within their internal fusion-layer representations, revealing an implicit safety decision boundary in the latent space. This motivates exploiting boundary to steer model behavior. Accordingly, we propose \textbf{JailBound}, a novel latent space jailbreak framework comprising two stages: (1) \textbf{Safety Boundary Probing}, which addresses the guidance issue by approximating decision boundary within fusion layer's latent space, thereby identifying optimal perturbation directions towards the target region; and (2) \textbf{Safety Boundary Crossing}, which overcomes the limitations of decoupled approaches by jointly optimizing adversarial perturbations across both image and text inputs. This latter stage employs an innovative mechanism to steer the model's internal state towards policy-violating outputs while maintaining cross-modal semantic consistency. Extensive experiments on six diverse VLMs demonstrate JailBound's efficacy, achieves 94.32\% white-box and 67.28\% black-box attack success averagely, which are 6.17\% and 21.13\% higher than SOTA methods, respectively. Our findings expose a overlooked safety risk in VLMs and highlight the urgent need for more robust defenses. \textcolor{red}{Warning: This paper contains potentially sensitive, harmful and offensive content.}

Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at \url{https://github.com/blacksnail789521/Time-IMM}, and the benchmark library can be accessed at \url{https://github.com/blacksnail789521/IMM-TSF}.

Foundation models trained at scale exhibit remarkable emergent behaviors, learning new capabilities beyond their initial training objectives. We find such emergent behaviors in biological vision models via large-scale contrastive vision-language training. To achieve this, we first curate TreeOfLife-200M, comprising 214 million images of living organisms, the largest and most diverse biological organism image dataset to date. We then train BioCLIP 2 on TreeOfLife-200M to distinguish different species. Despite the narrow training objective, BioCLIP 2 yields extraordinary accuracy when applied to various biological visual tasks such as habitat classification and trait prediction. We identify emergent properties in the learned embedding space of BioCLIP 2. At the inter-species level, the embedding distribution of different species aligns closely with functional and ecological meanings (e.g., beak sizes and habitats). At the intra-species level, instead of being diminished, the intra-species variations (e.g., life stages and sexes) are preserved and better separated in subspaces orthogonal to inter-species distinctions. We provide formal proof and analyses to explain why hierarchical supervision and contrastive objectives encourage these emergent properties. Crucially, our results reveal that these properties become increasingly significant with larger-scale training data, leading to a biologically meaningful embedding space.

Understanding long video content is a complex endeavor that often relies on densely sampled frame captions or end-to-end feature selectors, yet these techniques commonly overlook the logical relationships between textual queries and visual elements. In practice, computational constraints necessitate coarse frame subsampling, a challenge analogous to “finding a needle in a haystack.” To address this issue, we introduce a semantics-driven search framework that reformulates keyframe selection under the paradigm of Visual Semantic-Logical Search (VSLS). Specifically, we systematically define four fundamental logical dependencies: 1) spatial co-occurrence, 2) temporal proximity, 3) attribute dependency, and 4) causal order. These relations dynamically update frame sampling distributions through an iterative refinement process, enabling context-aware identification of semantically critical frames tailored to specific query requirements. Our method establishes new state-of-the-art performance on the manually annotated benchmark in keyframe selection metrics. Furthermore, when applied to downstream video question-answering tasks, the proposed approach demonstrates the best performance gains over existing methods on LongVideoBench and Video-MME, validating its effectiveness in bridging the logical gap between textual queries and visual-temporal reasoning. The code will be publicly available.

Message Passing Neural Networks (MPNNs) are the building block of graph foundation models, but fundamentally suffer from oversmoothing and oversquashing. There has recently been a surge of interest in fixing both issues. Existing efforts primarily adopt global approaches, which may be beneficial in some regions but detrimental in others, ultimately leading to the suboptimal expressiveness. In this paper, we begin by revisiting oversquashing through a global measure -- spectral gap $\lambda$ -- and prove that the increase of $\lambda$ leads to gradient vanishing with respect to the input features, thereby undermining the effectiveness of message passing. Motivated by such theoretical insights, we propose a local approach that adaptively adjusts message passing based on local structures. To achieve this, we connect local Riemannian geometry with MPNNs, and establish a novel nonhomogeneous boundary condition to address both oversquashing and oversmoothing. Building on the Robin condition, we design a GBN network with local bottleneck adjustment, coupled with theoretical guarantees. Extensive experiments on homophilic and heterophilic graphs show the expressiveness of GBN. Furthermore, GBN does not exhibit performance degradation even when the network depth exceeds $256$ layers.

Multimodal agents, which integrate a controller (e.g., a vision language model) with external tools, have demonstrated remarkable capabilities in tackling complex multimodal tasks. Existing approaches for training these agents, both supervised fine-tuning and reinforcement learning, depend on extensive human-annotated task-answer pairs and tool trajectories. However, for complex multimodal tasks, such annotations are prohibitively expensive or impractical to obtain. In this paper, we propose an iterative tool usage exploration method for multimodal agents without any pre-collected data, namely SPORT, via step-wise preference optimization to refine the trajectories of tool usage. Our method enables multimodal agents to autonomously discover effective tool usage strategies through self-exploration and optimization, eliminating the bottleneck of human annotation. SPORT has four iterative components: task synthesis, step sampling, step verification, and preference tuning. We first synthesize multimodal tasks using language models. Then, we introduce a novel trajectory exploration scheme, where step sampling and step verification are executed alternately to solve synthesized tasks. In step sampling, the agent tries different tools and obtains corresponding results. In step verification, we employ a verifier to provide AI feedback to construct step-wise preference data. The data is subsequently used to update the controller for tool usage through preference tuning, producing a SPORT agent. By interacting with real environments, the SPORT agent gradually evolves into a more refined and capable system. Evaluation in the GTA and GAIA benchmarks shows that the SPORT agent achieves 6.41% and 3.64% improvements, underscoring the generalization and effectiveness introduced by our method.

Pretrained vision-language models such as CLIP achieve strong zero-shot generalization but remain vulnerable to distribution shifts caused by input corruptions. In this work, we investigate how corruptions affect CLIP’s image embeddings and uncover a consistent phenomenon we term as embedding variance collapse, where both intra-class and inter-class variances shrink as corruption severity increases. We find that this collapse is closely tied to performance degradation, with inter-class variance strongly correlated with classification accuracy. To explain this phenomenon, we analyze how corruptions alter the structure of the embedding space. Our theoretical results suggest that the visual encoder tends to encode corruption-related signals, which dilute class-discriminative features and compress the representation geometry. We further show that maximizing inter-class variance, even when estimated from pseudo-labels, can provably enhance embedding quality. Based on this insight, we propose Mint, a simple test-time adaptation method that maximizes pseudo-label-based inter-class variance on the fly using a mean accumulator and a gradient accumulator. Mint operates effectively with small batch sizes and consistently improves performance across multiple corruption benchmarks and CLIP architectures. Our code is available at https://github.com/baowenxuan/Mint.