ICLR 2026 Papers

International Conference on Learning Representations

Decision breakdown

5,358papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    2244.2%
  • Poster
    5,13495.8%

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ScaleCUA: Scaling Open-Source Computer Use Agents with Cross-Platform Data

Zhaoyang Liu, JingJing Xie, Zichen Ding, Zehao Li, Bowen Yang, Zhenyu Wu, Xuehui Wang, Qiushi Sun, Shi Liu, Weiyun Wang, Shenglong Ye, Qingyun Li, Zeyue Tian, Gen Luo, Xiangyu Yue, Biqing Qi, Kai Chen, Bowen Zhou, Yu Qiao, Qifeng Chen, Wenhai Wang

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Vision-Language Models (VLMs) have enabled computer use agents (CUAs) that operate GUIs autonomously, showing great potential, yet progress is limited by the lack of large-scale, open-source computer use data and foundation models. In this work, we introduce ScaleCUA, a step toward scaling open-source CUAs. It offers a large-scale dataset spanning 6 operating systems and 3 task domains, built via a closed-loop pipeline uniting automated agents with human experts. Trained on this scaled-up data, ScaleCUA can operate seamlessly across platforms. Specifically, it delivers strong gains over baselines (+26.6 on WebArena-Lite-v2, +10.7 on ScreenSpot-Pro) and sets new state-of-the-art results (94.4% on MMBench-GUI L1-Hard, 60.6% on OSWorld-G, 47.4% on WebArena-Lite-v2). These findings underscore the power of data-driven scaling for general-purpose computer use agents. We will release data, models, and code to advance future research.

Oral
I-DRUID: Layout to image generation via instance-disentangled representation and unpaired data

Fengxiang Yang, Tianyi Zheng, Bangjie Yin, Shice Liu, Jinwei Chen, Peng-Tao Jiang, Bo Li

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Layout-to-Image (L2I) generation, aiming at coherently generating multiple instances conditioned on the given layouts and instance captions, has raised substantial attention in the recent research. The primary challenges of L2I stem from 1) attribute leakage due to the entangled instance features within attention and 2) limited generalization to novel scenes caused by insufficient image-text paired data. To address these issues, we propose I-DRUID, a novel framework that leverages instance-disentanglement representations (IDR) and unpaired data (UID) to improve L2I generation. IDR are extracted with our instance disentanglement modules, which utilizes information among instances to obtain semantic-related features while suppressing spurious parts. To facilitate disentangling, we require semantic-related features to trigger more accurate attention maps than spurious ones, formulating the instance-disentangled constraint to avoid attribute leakage. Moreover, to improve L2I generalization, we adapt L2I with unpaired, prompt-only data (UID) to novel scenes via reinforcement learning. Specifically, we enforce L2I model to learn from unpaired, prompt-only data by encouraging / rejecting the rational / implausible generation trajectories based on AI feedback, avoiding the need for paired data collection. Finally, our empirical observations show that IDM and RL cooperate synergistically to further enhance L2I accuracies. Extensive experiments demonstrate the efficacy of our method.

Poster
PartSAM: A Scalable Promptable Part Segmentation Model Trained on Native 3D Data

Zhe Zhu, Le Wan, Rui Xu, Yiheng Zhang, Honghua Chen, Zhiyang Dou, Cheng Lin, Yuan Liu, Mingqiang Wei

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Segmenting 3D objects into parts is a long-standing challenge in computer vision. To overcome taxonomy constraints and generalize to unseen 3D objects, recent works turn to open-world part segmentation. These approaches typically transfer supervision from 2D foundation models, such as SAM, by lifting multi-view masks into 3D. However, this indirect paradigm fails to capture intrinsic geometry, leading to surface-only understanding, uncontrolled decomposition, and limited generalization. We present PartSAM, the first promptable part segmentation model trained natively on large-scale 3D data. Following the design philosophy of SAM, PartSAM employs an encoder–decoder architecture in which a triplane-based dual-branch encoder produces spatially structured tokens for scalable part-aware representation learning. To enable large-scale supervision, we further introduce a model-in-the-loop annotation pipeline that curates over five million 3D shape–part pairs from online assets, providing diverse and fine-grained labels. This combination of scalable architecture and diverse 3D data yields emergent open-world capabilities: with a single prompt, PartSAM achieves highly accurate part identification, and in a “Segment-Every-Part” mode, it automatically decomposes shapes into both surface and internal structures. Extensive experiments show that PartSAM outperforms state-of-the-art methods by large margins across multiple benchmarks, marking a decisive step toward foundation models for 3D part understanding.

Poster
Hot PATE: Private Aggregation of Distributions for Diverse Tasks

Edith Cohen, Benjamin Cohen-Wang, Xin Lyu, Jelani Nelson, Tamas Sarlos, Uri Stemmer

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The Private Aggregation of Teacher Ensembles (PATE) framework enables privacy-preserving machine learning by aggregating responses from disjoint subsets of sensitive data. Adaptations of PATE to tasks with inherent output diversity such as text generation, where the desired output is a sample from a distribution, face a core tension: as diversity increases, samples from different teachers are less likely to agree, but lower agreement results in reduced utility for the same privacy requirements. Yet suppressing diversity to artificially increase agreement is undesirable, as it distorts the output of the underlying model, and thus reduces output quality. We propose Hot PATE, a variant of PATE designed for diverse generative settings. We formalize the notion of a *diversity-preserving* *ensemble sampler* and introduce an efficient sampler that provably transfers diversity without incurring additional privacy cost. Hot PATE requires only API access to proprietary models and can be used as a drop-in replacement for existing *Cold* PATE samplers. Our empirical evaluations corroborate and quantify the benefits, showing significant improvements in the privacy–utility trade-off on evaluated in-context learning tasks, both in preserving diversity and in returning relevant responses.

Poster
Parameterized Hardness of Zonotope Containment and Neural Network Verification

Vincent Froese, Moritz Leo Grillo, Christoph Hertrich, Moritz Stargalla

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Neural networks with ReLU activations are a widely used model in machine learning. It is thus important to have a profound understanding of the properties of the functions computed by such networks. Recently, there has been increasing interest in the (parameterized) computational complexity of determining these properties. In this work, we close several gaps and resolve an open problem posted by Froese et al. [COLT '25] regarding the parameterized complexity of various problems related to network verification. In particular, we prove that deciding positivity (and thus surjectivity) of a function $f\colon\mathbb{R}^d\to\mathbb{R}$ computed by a 2-layer ReLU network is W[1]-hard when parameterized by $d$. This result also implies that zonotope (non-)containment is W[1]-hard with respect to $d$, a problem that is of independent interest in computational geometry, control theory, and robotics. Moreover, we show that (a) approximating the maximum within any multiplicative factor in 2-layer ReLU networks, (b) computing the $L_p$-Lipschitz constant for $p\in(0,\infty]$ in 2-layer networks, and (c) approximating the $L_p$-Lipschitz constant in 3-layer networks are all NP-hard and W[1]-hard with respect to $d$. Notably, our hardness results are the strongest known so far and imply that the naive enumeration-based methods for solving these fundamental problems are all essentially optimal under the Exponential Time Hypothesis.

Poster
InfoBridge: Mutual Information estimation via Bridge Matching

Sergei Kholkin, Ivan Butakov, Evgeny Burnaev, Nikita Gushchin, Alexander Korotin

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Diffusion bridge models have recently become a powerful tool in the field of generative modeling. In this work, we leverage their power to address another important problem in machine learning and information theory, the estimation of the mutual information (MI) between two random variables. Neatly framing MI estimation as a domain transfer problem, we construct an unbiased estimator for data posing difficulties for conventional MI estimators. We showcase the performance of our estimator on three standard MI estimation benchmarks, i.e., low-dimensional, image-based and high MI, and on real-world data, i.e., protein language model embeddings.

Poster
Human3R: Everyone Everywhere All at Once

Yue Chen, Xingyu Chen, Yuxuan Xue, Anpei Chen, Yuliang Xiu, Gerard Pons-Moll

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We present Human3R, a unified, feed-forward framework for online 4D human-scene reconstruction, in the world frame, from casually captured monocular videos. Unlike previous approaches that rely on multi-stage pipelines, iterative contact-aware refinement between humans and scenes, and heavy dependencies, e.g., human detection, depth estimation, and SLAM pre-processing, Human3R jointly recovers global multi-person SMPL-X bodies (“everyone”), dense 3D scene (“everywhere”), and camera trajectories in a single forward pass (“all-at-once”). Our method builds upon the 4D online reconstruction model CUT3R, and uses parameter-efficient visual prompt tuning, to strive to preserve CUT3R’s rich spatiotemporal priors, while enabling direct readout of multiple SMPL-X bodies. Human3R is a unified model that eliminates heavy dependencies and iterative refinement. After being trained on the relatively small-scale synthetic dataset BEDLAM for just one day on one GPU, it achieves superior performance with remarkable efficiency: it reconstructs multiple humans in a one-shot manner, along with 3D scenes, in one stage, in real-time (15 FPS) with a low memory footprint (8 GB). Extensive experiments demonstrate that Human3R delivers state-of-the-art or competitive performance across tasks, including global human motion estimation, local human mesh recovery, video depth estimation, and camera pose estimation, with a single unified model. We hope that Human3R will serve as a simple yet strong baseline, which can be easily adapted for downstream applications. Code, models and 4D interactive demos are available at https://fanegg.github.io/Human3R/.

Poster
JavisDiT: Joint Audio-Video Diffusion Transformer with Hierarchical Spatio-Temporal Prior Synchronization

Kai Liu, Wei Li, Lai Chen, Shengqiong Wu, Yanhao Zheng, Jiayi Ji, Fan Zhou, Jiebo Luo, Ziwei Liu, Hao Fei, Tat-Seng Chua

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This paper introduces JavisDiT, a novel Joint Audio-Video Diffusion Trans- former designed for synchronized audio-video generation (JAVG). Based on the powerful Diffusion Transformer (DiT) architecture, JavisDiT simultaneously generates high-quality audio and video content from open-ended user prompts in a unified framework. To ensure audio-video synchronization, we introduce a fine-grained spatio-temporal alignment mechanism through a Hierarchical Spatial-Temporal Synchronized Prior (HiST-Sypo) Estimator. This module extracts both global and fine-grained spatio-temporal priors, guiding the synchronization between the visual and auditory components. Furthermore, we propose a new benchmark, JavisBench, which consists of 10,140 high-quality text-captioned sounding videos and focuses on synchronization evaluation in diverse and complex real-world scenarios. Further, we specifically devise a robust metric for measuring the synchrony between generated audio-video pairs in real-world content. Experimental results demonstrate that JavisDiT significantly outperforms existing methods by ensuring both high-quality generation and precise synchronization, setting a new standard for JAVG tasks. Our code, model, and data are available at https://javisverse.github.io/JavisDiT-page/.

Poster
Improving LLM-based Global Optimization with Search Space Partitioning

Andrej Schwanke, Lyubomir Ivanov, David Salinas, Fabio Ferreira, Aaron Klein, Frank Hutter, Arber Zela

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Large Language Models (LLMs) have recently emerged as effective surrogate models and candidate generators within global optimization frameworks for expensive blackbox functions. Despite promising results, LLM-based methods often struggle in high-dimensional search spaces or when lacking domain-specific priors, leading to sparse or uninformative suggestions. To overcome these limitations, we propose HOLLM, a novel global optimization algorithm that enhances LLM-driven sampling by partitioning the search space into promising subregions. Each subregion acts as a ``meta-arm'' selected via a bandit-inspired scoring mechanism that effectively balances exploration and exploitation. Within each selected subregion, an LLM then proposes high-quality candidate points, without any explicit domain knowledge. Empirical evaluation on standard optimization benchmarks shows that HOLLM consistently matches or surpasses leading global optimization methods, while substantially outperforming global LLM-based sampling strategies.

Poster
Mixture of Contexts for Long Video Generation

Shengqu Cai, Ceyuan Yang, Lvmin Zhang, Yuwei Guo, Junfei Xiao, Ziyan Yang, Yinghao Xu, Zhenheng Yang, Alan Yuille, Leonidas Guibas, Maneesh Agrawala, Lu Jiang, Gordon Wetzstein

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Long video generation is fundamentally a long context memory problem: models must retain and retrieve salient events across a long range without collapsing or drifting. However, scaling diffusion transformers to generate long-context videos is fundamentally limited by the quadratic cost of self-attention, which makes memory and computation intractable and difficult to optimize for long sequences. We recast long-context video generation as an internal information retrieval task and propose a simple, learnable sparse attention routing module, Mixture of Contexts (MoC), as an effective long-term memory retrieval engine. In MoC, each query dynamically selects a few informative chunks plus mandatory anchors (caption, local windows) to attend to, with causal routing that prevents loop closures. As we scale the data and gradually sparsify the routing, the model allocates compute to salient history, preserving identities, actions, and scenes over minutes of content. Efficiency follows as a byproduct of retrieval (near-linear scaling), which enables practical training and synthesis, and the emergence of memory and consistency at the scale of minutes.

Poster
villa-X: Enhancing Latent Action Modeling in Vision-Language-Action Models

Xiaoyu Chen, Hangxing Wei, Pushi Zhang, Chuheng Zhang, Kaixin Wang, Yanjiang Guo, Rushuai Yang, Yucen Wang, Xinquan Xiao, Li Zhao, Jianyu Chen, Jiang Bian

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Vision-Language-Action (VLA) models have emerged as a popular paradigm for learning robot manipulation policies that can follow language instructions and generalize to novel scenarios. Recent works have begun to explore the incorporation of latent actions, abstract representations of motion between two frames, into VLA pre-training. In this paper, we introduce villa-X a novel Vision-Language-Latent-Action (ViLLA) framework that advances latent action modeling for learning generalizable robot manipulation policies. Our approach improves both how latent actions are learned and how they are incorporated into VLA pre-training. We demonstrate that villa-X can generate latent action plans in a zero-shot fashion, even for unseen embodiments and open-vocabulary symbolic understanding. This capability enables villa-X to achieve superior performance across diverse simulation tasks in SIMPLER and on two real-world robotic setups involving both gripper and dexterous hand manipulation. These results establish villa-X as a principled and scalable paradigm for learning generalizable robot manipulation policies. We believe it provides a strong foundation for future research.

Poster
Beyond a Million Tokens: Benchmarking and Enhancing Long-Term Memory in LLMs

Mohammad Tavakoli, Alireza Salemi, Carrie Ye, Mohamed Abdalla, Hamed Zamani, J Ross Mitchell

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Evaluating the abilities of large language models (LLMs) for tasks that require long-term memory and thus long-context reasoning, for example in conversational settings, is hampered by the existing benchmarks, which often lack narrative coherence, cover narrow domains, and only test simple recall-oriented tasks. This paper introduces a comprehensive solution to these challenges. First, we present a novel framework for automatically generating long (up to 10M tokens), coherent, and topically diverse conversations, accompanied by probing questions targeting a wide range of memory abilities. From this, we construct BEAM, a new benchmark comprising 100 conversations and 2,000 validated questions. Second, to enhance model performance, we propose LIGHT–a framework inspired by human cognition that equips LLMs with three complementary memory systems: a long-term episodic memory, a short-term working memory, and a scratchpad for accumulating salient facts. Our experiments on BEAM reveal that even LLMs with 1M token context windows (with and without retrieval-augmentation) struggle as dialogues lengthen. In contrast, LIGHT consistently improves performance across various models, achieving an average improvement of 3.5%–12.69% over the strongest baselines, depending on the backbone LLM. An ablation study further confirms the contribution of each memory component.

Poster
GaitSnippet: Gait Recognition Beyond Unordered Sets and Ordered Sequences

Saihui Hou, Chenye Wang, Wenpeng Lang, Zhengxiang Lan, Yongzhen Huang

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Recent advancements in gait recognition have significantly enhanced performance by treating silhouettes as either an unordered set or an ordered sequence. However, both set-based and sequence-based approaches exhibit notable limitations. Specifically, set-based methods tend to overlook short-range temporal context for individual frames, while sequence-based methods struggle to capture long-range temporal dependencies effectively. To address these challenges, we draw inspiration from human identification and propose a new perspective that conceptualizes human gait as a composition of individualized actions. Each action is represented by a series of frames, randomly selected from a continuous segment of the sequence, which we term a snippet. Fundamentally, the collection of snippets for a given sequence enables the incorporation of multi-scale temporal context, facilitating more comprehensive gait feature learning. Moreover, we introduce a non-trivial solution for snippet-based gait recognition, focusing on Snippet Sampling and Snippet Modeling as key components. Extensive experiments on four widely-used gait datasets validate the effectiveness of our proposed approach and, more importantly, highlight the potential of gait snippets. For instance, our method achieves the rank-1 accuracy of 77.5% on Gait3D and 81.7% on GREW using a 2D convolution-based backbone.

Poster
Local Success Does Not Compose: Benchmarking Large Language Models for Compositional Formal Verification

Xu Xu, Xin Li, Xingwei Qu, Jie Fu, Binhang Yuan

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Despite rapid advances in code generation, current Large Language Models (LLMs) still lack an essential capability for reliable and verifiable code generation: compositional reasoning across multi-function programs. To explore this potential and important gap, we introduce DafnyCOMP, a benchmark designed to systematically evaluate LLMs on the generation of compositional specifications in Dafny. Unlike prior benchmarks that primarily target single-function annotation, DafnyCOMP focuses on programs composed of multiple interacting functions with necessary data dependencies, requiring LLMs to produce specifications that ensure correctness across component boundaries. Our benchmark comprises 300 automatically synthesized programs, each carefully constructed by combining 2–5 originally independent functions in a chain-based manner through LLM-driven synthesis. We evaluate LLMs from five leading research groups that represent the current frontier of reasoning-centric AI, including the GPT, Claude, Gemini, DeepSeek, and Qwen families. Our results reveal a striking dichotomy: while LLMs achieve both high syntax correctness (>99%) and moderate verification rates (>58%) in prior single-function benchmarks, they exhibit degraded syntax correctness (95.67%) and a catastrophic verification failure (3.69%) in DafnyCOMP's compositional tasks— a 92% performance gap. Even the most powerful LLM achieves only 7% verification at Pass@8, with most LLMs below 2%. Further analysis reveals that LLMs systematically fail at cross-functional reasoning through three primary failure modes: specification fragility (39.2%), implementation-proof misalignment (21.7%), and reasoning instability (14.1%). These failures clearly reveal the absence of compositional reasoning capabilities in current LLMs. DafnyCOMP thus establishes a diagnostic benchmark for tracking progress in verifiable code generation with LLMs, highlighting that the path from local to compositional verification remains largely uncharted.

Poster
Permutation-Consistent Variational Encoding for Incomplete Multi-View Multi-Label Classification

Chengliang Liu, Bo Li, Bob Zhang, Xiaoling Luo, Yabo Liu, Jie Wen

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Incomplete multi-view multi-label learning is fundamentally an information integration problem under simultaneous view and label incompleteness. We introduce Permutation-Consistent Variational Encoding framework (PCVE) with an information bottleneck strategy, which learns variational representations capable of aggregating shared semantics across views while remaining robust to incompleteness. PCVE formulates a principled objective that maximizes a variational evidence lower bound to retain task-relevant information, and introduces a permutation-consistent regularization to encourage distributional consistency among representations that encode the same target semantics from different views. This regularization acts as an information alignment mechanism that suppresses view-private redundancy and mitigates over-alignment, thereby improving both sufficiency and consistency of the learned representations. To address missing labels, PCVE further incorporates a masked multi-label learning objective that leverages available supervision while modeling label dependencies. Extensive experiments across diverse benchmarks and missing ratios demonstrate consistent gains over state-of-the-art methods in multi-label classification, while enabling reliable inference of missing views without explicit imputation. Analyses corroborate that the proposed information-theoretic formulation improves cross-view semantic cohesion and preserves discriminative capacity, underscoring the effectiveness and generality of PCVE for incomplete multi-view multi-label learning.

Poster
RealPDEBench: A Benchmark for Complex Physical Systems with Real-World Data

Peiyan Hu, Haodong Feng, Hongyuan Liu, Tongtong Yan, Wenhao Deng, Tianrun Gao, Rong Zheng, Haoren Zheng, Chenglei Yu, Chuanrui Wang, Kaiwen Li, Zhi-Ming Ma, Dezhi Zhou, Xingcai Lu, Dixia Fan, Tailin Wu

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Predicting the evolution of complex physical systems remains a central problem in science and engineering. Despite rapid progress in scientific Machine Learning (ML) models, a critical bottleneck is the lack of expensive real-world data, resulting in most current models being trained and validated on simulated data. Beyond limiting the development and evaluation of scientific ML, this gap also hinders research into essential tasks such as sim-to-real transfer. We introduce RealPDEBench, the first benchmark for scientific ML that integrates real-world measurements with paired numerical simulations. RealPDEBench consists of five datasets, three tasks, nine metrics, and ten baselines. We first present five real-world measured datasets with paired simulated datasets across different complex physical systems. We further define three tasks, which allow comparisons between real-world and simulated data, and facilitate the development of methods to bridge the two. Moreover, we design nine evaluation metrics, spanning data-oriented and physics-oriented metrics, and finally benchmark ten representative baselines, including state-of-the-art models, pretrained PDE foundation models, and a traditional method. Experiments reveal significant discrepancies between simulated and real-world data, while showing that pretraining with simulated data consistently improves both accuracy and convergence. In this work, we hope to provide insights from real-world data, advancing scientific ML toward bridging the sim-to-real gap and real-world deployment. Our benchmark, datasets, and instructions are available at https://realpdebench.github.io/.

Oral
THEMIS: Towards Holistic Evaluation of MLLMs for Scientific Paper Fraud Forensics

Tzu-Yen Ma, Bo Zhang, Zichen TANG, Junpeng Ding, Haolin Tian, Yuanze Li, Zhuodi Hao, Zixin Ding, Zirui Wang, Xinyu Yu, Shiyao Peng, Yizhuo Zhao, Ruomeng Jiang, Yiling Huang, Peizhi Zhao, Jiayuan Chen, Weisheng Tan, Haocheng Gao, Yang Liu, Jiacheng Liu, Zhongjun Yang, Jiayu Huang, Haihong E

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We present **THEMIS**, a novel multi-task benchmark designed to comprehensively evaluate Multimodal Large Language Models (MLLMs) on visual fraud reasoning within real-world academic scenarios. Compared to existing benchmarks, THEMIS introduces three major advancements. (1) **Real-world Scenarios & Complexity**: Our benchmark comprises over 4K questions spanning 7 scenarios, derived from authentic retracted-paper cases and carefully curated multimodal synthetic data. With 73.73% complex-texture images, THEMIS bridges the critical gap between existing benchmarks and the complexity of real-world academic fraud. (2) **Task Diversity & Granularity**: THEMIS systematically covers five challenging tasks and introduces 16 fine-grained manipulation operations. On average, each sample undergoes multiple stacked manipulation operations, with the diversity and difficulty of these manipulations demanding a high level of visual fraud reasoning from the models. (3) **Multi-dimensional Capability Evaluation**: We establish a mapping from fraud tasks to five core visual fraud reasoning capabilities, thereby enabling an evaluation that reveals the distinct strengths and specific weaknesses of different models across these core capabilities. Experiments on 11 leading MLLMs show that even the best-performing model still falls below the passing threshold, demonstrating that our benchmark presents a stringent test. We expect THEMIS to advance the development of MLLMs for complex, real-world fraud detection tasks. The data and code will be updated on url: https://anonymous.4open.science/r/themis1638.

Poster
Frame Guidance: Training-Free Guidance for Frame-Level Control in Video Diffusion Model

Sangwon Jang, Taekyung Ki, Jaehyeong Jo, Jaehong Yoon, Soo Ye Kim, Zhe Lin, Sung Ju Hwang

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Advancements in diffusion models have significantly improved video quality, directing attention to fine-grained controllability. However, many existing methods depend on fine-tuning large-scale video models for specific tasks, which becomes increasingly impractical as model sizes continue to grow. In this work, we present Frame Guidance, a training-free guidance for controllable video generation based on frame-level signals, such as keyframes, style reference images, sketches, or depth maps. By applying guidance to only a few selected frames, Frame Guidance can steer the generation of the entire video, resulting in a temporally coherent controlled video. To enable training-free guidance on large-scale video models, we propose a simple latent processing method that dramatically reduces memory usage, and apply a novel latent optimization strategy designed for globally coherent video generation. Frame Guidance enables effective control across diverse tasks, including keyframe guidance, stylization, and looping, without any training, and is compatible with any models. Experimental results show that Frame Guidance can produce high-quality controlled videos for a wide range of tasks and input signals.

Poster
SYNC: Measuring and Advancing Synthesizability in Structure-Based Drug Design

Yunfan Liu, Lirong Wu, Zhifeng Gao, Yufei Huang, Cheng Tan, Haitao Lin, Zicheng Liu, Changxi Chi, Chang Yu, Stan Z. Li

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Designing 3D ligands that bind to a given protein pocket with high affinity is a fundamental task in Structure-Based Drug Design (SBDD). However, the lack of synthesizability of 3D ligands has been hindering progress toward experimental validation; moreover, computationally evaluating synthesizability is a non-trivial task. In this paper, we first benchmark eight classical synthesizability metrics across 11 SBDD methods. The comparison reveals significant inconsistencies between these metrics, making them impractical and inaccurate criteria for guiding SBDD methods toward synthesizable drug design. Therefore, we propose a simple yet effective SE(3)-invariant \textit{\underline{SYN}thesizability \underline{C}lassifier} (SYNC) to enable better synthesizability estimation in SBDD, which demonstrates superior generalizability and speed compared to existing metrics on five curated datasets. Finally, with SYNC as a plug-and-play module, we establish a synthesizability classifier-driven SBDD paradigm through guided diffusion and Direct Preference Optimization, where highly synthesizable molecules are directly generated without compromising binding affinity. Extensive experiments also demonstrate the effectiveness of SYNC and the advantage of our paradigm in synthesizable SBDD. Code is available at \url{https://anonymous.4open.science/r/SYNC-C94D/}.

Poster
Low-Latency Neural LiDAR Compression with 2D Context Models

Rui Song, Yan Wang, Tongda Xu, Zhening Liu, Zehong Lin, Jun Zhang

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Context modeling is fundamental to LiDAR point cloud compression. Existing methods rely on computationally intensive 3D contexts, such as voxel and octree, which struggle to balance the compression efficiency and coding speed. In this work, we propose a neural LiDAR compressor based on 2D context models that simultaneously supports high-efficiency compression, fast coding, and universal geometry-intensity compression. The 2D context structure significantly reduces the coding latency. We further develop a comprehensive context model that integrates spatial latents, temporal references, and cross-modal camera context in the 2D domain to enhance the compression performance. Specifically, we first represent the point cloud as a range image and propose a multi-scale spatial context model to capture the intra-frame dependencies. Furthermore, we design an optical-flow-based temporal context model for inter-frame prediction. Moreover, we incorporate a deformable attention module and a context refinement strategy to predict LiDAR scans from camera images. In addition, we develop a backbone for joint geometry and intensity compression, which unifies the compression of both modalities while minimizing redundant computation. Experiments demonstrate significant improvements in both rate-distortion performance and coding speed. The code will be released upon the acceptance of the paper.

Poster