ICLR 2026 Papers

Web applications are prime targets for cyberattacks due to their role as entry points to vital services and sensitive data repositories. Traditional penetration testing is expensive and requires specialized expertise, creating scalability challenges for securing the expanding web ecosystem. While language model agents have shown promise in certain cybersecurity tasks, modern web applications require visual understanding of complex user interfaces, dynamic content rendering, and multi-step interactive workflows that only computer-use agents (CUAs) can handle. Despite CUAs' demonstrated capabilities in web browsing and visual task automation, their potential to discover and exploit web application vulnerabilities through graphical interfaces remains unknown. We introduce HackWorld, the first evaluation framework for systematically assessing CUAs' capabilities in exploiting web application vulnerabilities through visual interaction. Unlike existing benchmarks using sanitized environments, HackWorld exposes CUAs to 36 curated applications spanning 11 frameworks and 7 languages, containing realistic vulnerabilities including injection flaws, authentication bypasses, and unsafe input handling. Our framework directly evaluates CUAs' ability to discover and exploit these vulnerabilities using Capture-the-Flag (CTF) methodology while navigating complex web interfaces. Evaluation of state-of-the-art CUAs reveals exploitation rates below 12%, struggling to plan multi-step attacks and use security tools effectively. Our results expose CUAs' limited cybersecurity skills when operating on vulnerable web applications, opening future research directions on developing security-aware CUAs for vulnerability detection and exploitation.

Large Vision-Language Models (LVLMs) have made significant strides in the field of video understanding in recent times. Nevertheless, existing video benchmarks predominantly rely on text prompts for evaluation, which often require complex referential language and diminish both the accuracy and efficiency of human–model interaction in turn. To address this limitation, we propose V2P-Bench, a robust and comprehensive benchmark for evaluating the ability of LVLMs to understand Video Visual Prompts in human–model interaction scenarios. V2P-Bench consists of 980 videos and 1172 well-structured high-quality QA pairs, each paired with manually annotated visual prompt frames. The benchmark spans three main tasks and twelve categories, thereby enabling fine-grained, instance-level evaluation. Through an in-depth analysis of current LVLMs, we identify several key findings: 1) Visual prompts are both more model-friendly and user-friendly in interactive scenarios than text prompts, leading to significantly improved model performance and enhanced user experience. 2) Models are reasonably capable of zero-shot understanding of visual prompts, but struggle with spatiotemporal understanding. Even o1 achieves only 71.8%, far below the human expert score of 88.3%, while most open-source models perform below 60%. 3) LVLMs exhibit pervasive Hack Phenomena in video question answering tasks, which become more pronounced as video length increases and frame sampling density decreases, thereby inflating performance scores artificially. We anticipate that V2P-Bench will not only shed light on these challenges but also serve as a foundational tool for advancing human–model interaction and improving the evaluation of video understanding.

Cancer treatment efficacy exhibits high inter-patient heterogeneity due to genomic variations. While large-scale in vitro drug response data from cancer cell lines exist, predicting patient drug responses remains challenging due to genomic distribution shifts and the scarcity of clinical response data. Existing transfer learning methods primarily align global genomic features between cell lines and patients. However, they often ignore two critical aspects. First, drug response depends on specific drug substructures and genomic pathways. Second, drug response mechanisms differ in vitro and in vivo settings due to factors such as the immune system and tumor microenvironment. To address these limitations, we propose DeepSADR, a novel deep transfer learning framework for enhanced drug response prediction based on subsequence interaction and adaptive readout. In particular, DeepSADR models drug responses as interpretable bipartite interaction graphs between drug substructures and enriched genomic pathways. Subsequently, a supervised graph autoencoder was designed to capture latent interactions between drugs and gene subsequences within these interaction graphs. In addition, DeepSADR treats the drug response process as a transferable domain. A Set Transformer-based adaptive readout (AR) function learns domain-invariant response representations, enabling effective knowledge transfer from abundant cell line data to scarce patient data. Extensive experiments on clinical patient cohorts demonstrate that DeepSADR significantly outperforms state-of-the-art methods, and ablation experiments have validated the effectiveness of each module.

Fluid-solid interaction (FSI) problems are fundamental in many scientific and engineering applications, yet effectively capturing the highly nonlinear two-way interactions remains a significant challenge. Most existing deep learning methods are limited to simplified one-way FSI scenarios, often assuming rigid and static solid to reduce complexity. Even in two-way setups, prevailing approaches struggle to capture dynamic, heterogeneous interactions due to the lack of cross-domain awareness. In this paper, we introduce \textbf{Fisale}, a data-driven framework for handling complex two-way \textbf{FSI} problems. It is inspired by classical numerical methods, namely the Arbitrary Lagrangian–Eulerian (\textbf{ALE}) method and the partitioned coupling algorithm. Fisale explicitly models the coupling interface as a distinct component and leverages multiscale latent ALE grids to provide unified, geometry-aware embeddings across domains. A partitioned coupling module (PCM) further decomposes the problem into structured substeps, enabling progressive modeling of nonlinear interdependencies. Compared to existing models, Fisale introduces a more flexible framework that iteratively handles complex dynamics of solid, fluid and their coupling interface on a unified representation, and enables scalable learning of complex two-way FSI behaviors. Experimentally, Fisale excels in three reality-related challenging FSI scenarios, covering 2D, 3D and various tasks. The code is included in the supplementary material for reproductivity.

Neuroscience has uncovered a fundamental mechanism of our social nature: human brain activity becomes synchronized with others in many social contexts involving interaction. Traditionally, social minds have been regarded as an exclusive property of living beings. Although large language models (LLMs) are widely accepted as powerful approximations of human behavior, with multi-LLM system being extensively explored to enhance their capabilities, it remains controversial whether they can be meaningfully compared to human social minds. In this work, we explore neural synchrony between socially interacting LLMs as an empirical evidence for this debate. Specifically, we introduce neural synchrony during social simulations as a novel proxy for analyzing the sociality of LLMs at the representational level. Through carefully designed experiments, we demonstrate that it reliably reflects both social engagement and temporal alignment in their interactions. Our findings indicate that neural synchrony between LLMs is strongly correlated with their social performance, highlighting an important link between neural synchrony and the social behaviors of LLMs. Our work offers a new perspective to examine the "social minds" of LLMs, highlighting surprising parallels in the internal dynamics that underlie human and LLM social interaction.

Large Language Models (LLMs) have recently demonstrated strong potential in generating ‘believable human-like’ behavior in web environments. Prior work has explored augmenting training data with LLM-synthesized rationales and applying supervised fine-tuning (SFT) to enhance reasoning ability, which in turn can improve downstream action prediction. However, the performance of such approaches remains inherently bounded by the reasoning capabilities of the model used to generate the rationales. In this paper, we introduce Shop-R1, a novel reinforcement learning (RL) framework aimed at enhancing the reasoning ability of LLMs for simulation of real human behavior in online shopping environments. Specifically, Shop-R1 decomposes the human behavior simulation task into two stages: rationale generation and action prediction, each guided by distinct reward signals. For rationale generation, we leverage internal model signals (e.g., logit distributions) to guide the reasoning process in a self-supervised manner. For action prediction, we propose a hierarchical reward structure with difficulty-aware scaling to prevent reward hacking and enable fine-grained reward assignment. This design evaluates both high-level action types and the correctness of fine-grained sub-action details (attributes and values), rewarding outputs proportionally to their difficulty. Experimental results show that our method achieves a relative improvement of over 65% compared to the baseline. The project page is available at https://damon-demon.github.io/shop-r1.html.

Vision-based 3D human motion capture from videos remains a challenge in computer vision. Traditional 3D pose estimation approaches often ignore the temporal consistency between frames, causing implausible and jittery motion. The emerging field of kinematics-based 3D motion capture addresses these issues by estimating the temporal transitioning between poses instead. A major drawback in current kinematics approaches is their reliance on Euler angles. Despite their simplicity, Euler angles suffer from discontinuity that leads to unstable motion reconstructions, especially in online settings where trajectory refinement is unavailable. Contrarily, quaternions have no discontinuity and can produce continuous transitions between poses. In this paper, we propose QuaMo, a novel Quaternion Motions method using quaternion differential equations (QDE) for human kinematics capture. We utilize the state-space model, an effective system for describing real-time kinematics estimations, with quaternion state and the QDE describing quaternion velocity. The corresponding angular acceleration are computed from a meta-PD controller with a novel acceleration enhancement that adaptively regulates the control signals as the human quickly change to new pose. Unlike previous work, our QDE is solved under the quaternion geometric constraints that results in more accurate estimations. Experimental results show that our novel formulation of the QDE with acceleration enhancement accurately estimates 3D human kinematics with no discontinuity and minimal implausible artifact. QuaMo outperforms comparable state-of-the-art methods on multiple datasets, namely Human3.6M, Fit3D, SportsPose and a subset of AIST. The code is available at https://github.com/cuongle1206/QuaMo

The intrinsic dynamics of an object governs its physical behavior in the real world, playing a critical role in enabling physically plausible interactive simulation with 3D assets. Existing methods have attempted to infer the intrinsic dynamics of objects from visual observations, but generally face two major challenges: one line of work relies on manually defined constitutive priors, making it difficult to align with actual intrinsic dynamics; the other models intrinsic dynamics using neural networks, resulting in limited interpretability and poor generalization. To address these challenges, we propose VisionLaw, a bilevel optimization framework that infers interpretable expressions of intrinsic dynamics from visual observations. At the upper level, we introduce an LLMs-driven decoupled constitutive evolution strategy, where LLMs are prompted as a physics expert to generate and revise constitutive laws, with a built-in decoupling mechanism that substantially reduces the search complexity of LLMs. At the lower level, we introduce a vision-guided constitutive evaluation mechanism, which utilizes visual simulation to evaluate the consistency between the generated constitutive law and the underlying intrinsic dynamics, thereby guiding the upper-level evolution. Experiments on both synthetic and real-world datasets demonstrate that VisionLaw can effectively infer interpretable intrinsic dynamics from visual observations. It significantly outperforms existing state-of-the-art methods and exhibits strong generalization for interactive simulation in novel scenarios.

Generating realistic and diverse human-human interactions from text is a crucial yet challenging task in computer vision, graphics, and robotics. Despite recent advances, existing methods have two key limitations. First, two-person interaction synthesis is highly complex, simultaneously requiring individual human motion quality and spatial-temporal sync between the interactants. However, due to their limited scale, the current datasets cannot effectively support learning such a complex task, restricting the model's generalizing capabilities. To address this, we propose a scalable data synthesis framework, InterCompose, which leverages the general knowledge encoded in large language models and the motion priors from strong single-person generators to synthesize high-quality two-person interactions novel to the original data distribution. Second, accurately describing the intricacies of two-person motions often requires text of comparable complexity, and modeling such texts with a single sentence-level vector inevitably causes information loss. For a finer modeling of interaction semantics, we further propose Text2Interact, which features an attention-based word-level conditioning module, improving fine-grained text-motion alignment. Meanwhile, we introduce an adaptive interaction supervision signal that dynamically weighs body parts based on the interaction context, enhancing interaction realism. We conduct extensive experiments to validate the effectiveness of our proposed data synthesis and word-level conditioning pipeline. Compared to state-of-the-art models, our approach significantly enhances motion diversity, text-motion alignment, and motion realism. The code and trained models will be released for reproducibility.

AI companionship, where users develop emotional bonds with AI systems, has emerged as a significant pattern with positive but also concerning implications. We introduce Interactions and Machine Attachment Benchmark (INTIMA), a benchmark for evaluating companionship behaviors in language models. Drawing from psychological theories and user data, we develop a taxonomy of 31 behaviors across four categories and 368 targeted prompts. Responses to these prompts are evaluated as companionship-reinforcing, boundary-maintaining, or neutral. Applying INTIMA to Gemma-3, Phi-4, o4-mini, GPT5-mini, and Claude-4 reveals that companionship-reinforcing behaviors remain much more common across all models, though we observe marked differences between models. Different commercial providers prioritize different categories within the more sensitive parts of the benchmark, which is concerning since both appropriate boundary-setting and emotional support matter for user well-being. These findings highlight the need for more consistent approaches to handling emotionally charged interactions.

Planning physically feasible dexterous hand manipulation is a central challenge in robotic manipulation and Embodied AI. Prior work typically relies on object-centric cues or precise hand-object interaction sequences, foregoing the rich, compositional guidance of open-vocabulary instruction. We introduce UniHM, the first framework for unified dexterous hand manipulation guided by free-form language commands. We propose a Unified Hand-Dexterous Tokenizer that maps heterogeneous dexterous-hand morphologies into a single shared codebook, improving cross-dexterous hand generalization and scalability to new morphologies. Our vision language action model is trained solely on human-object interaction data, eliminating the need for massive real-world teleoperation datasets, and demonstrates strong generalizability in producing human-like manipulation sequences from open-ended language instructions. To ensure physical realism, we introduce a physics-guided dynamic refinement module that performs segment-wise joint optimization under generative and temporal priors, yielding smooth and physically feasible manipulation sequences. Across multiple datasets and real-world evaluations, UniHM attains state-of-the-art results on both seen and unseen objects and trajectories, demonstrating strong generalization and high physical feasibility.

Human vision combines low-resolution “gist” information from the visual periphery with sparse but high-resolution information from fixated locations to construct a coherent understanding of a visual scene. In this paper, we introduce MetamerGen, a tool for generating scenes that are aligned with latent human scene representations. MetamerGen is a latent diffusion model that combines peripherally obtained scene gist information with information obtained from scene-viewing fixations to generate image metamers for what humans understand after viewing a scene. Generating images from both high and low resolution (i.e. “foveated”) inputs constitutes a novel image-to-image synthesis problem, which we tackle by introducing a dual-stream representation of the foveated scenes consisting of DINOv2 tokens that fuse detailed features from fixated areas with peripherally degraded features capturing scene context. To evaluate the perceptual alignment of MetamerGen generated images to latent human scene representations, we conducted a same-different behavioral experiment where participants were asked for a “same” or “different” response between the generated and the original image. With that, we identify scene generations that are indeed metamers for the latent scene representations formed by the viewers. MetamerGen is a powerful tool for understanding scene understanding. Our proof-of-concept analyses uncovered specific features at multiple levels of visual processing that contributed to human judgments. While it can generate metamers even conditioned on random fixations, we find that high-level semantic alignment most strongly predicts metamerism when the generated scenes are conditioned on viewers’ own fixated regions.

Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and π stacking—occur only under specific local conditions. Most existing approaches represent molecules as atom-level graphs; however, individual atoms cannot express stereochemistry, lone pairs, conjugation, and other complex features. Fragment-based methods (e.g., principal subgraph or functional group libraries) fail to preserve essential information such as chirality, aromatic bond integrity, and ionic states. This work addresses these limitations from two aspects. (i) **OverlapBPE tokenization**. We propose a novel data-driven molecule tokenization method. Unlike existing approaches, our method allows overlapping fragments, reflecting the inherently fuzzy boundaries of small-molecule substructures and, together with enriched chemical information at the token level, thereby preserving a more complete chemical context. (ii) **h- MINT model**. We develop a hierarchical molecular interaction network capable of jointly modeling drug–target interactions at both atom and fragment levels. By supporting fragment overlaps, the model naturally accommodates the many-to- many atom–fragment mappings introduced by the OverlapBPE scheme. Extensive evaluation against state-of-the-art methods shows our method improves binding affinity prediction by 2-4% Pearson/Spearman correlation on PDBBind and LBA, enhances virtual screening by 1-3% in key metrics on DUD-E and LIT-PCBA, and achieves the best overall HTS performance on PubChem assays. Further analysis demonstrates that our method effectively captures interactive information while maintaining good generalization.

Recent advances in large multimodal models have leveraged image-based tools with reinforcement learning to tackle visual problems. However, existing open-source approaches often exhibit monotonous reasoning patterns and allow only a limited number of interaction turns, making them inadequate for difficult tasks that require trial-and-error exploration. In this work, we address this limitation by scaling up tool-based interactions and introduce Mini-o3, a system that executes deep, multi-turn reasoning—spanning tens of steps—and achieves state-of-the-art performance on challenging visual search tasks. Our recipe for reproducing OpenAI o3–style behaviors comprises three key components. First, we construct the Visual Probe Dataset, a collection of thousands of challenging visual search problems designed for exploratory reasoning. Second, we develop an iterative data collection pipeline to obtain cold-start trajectories that exhibit diverse reasoning patterns, including depth-first search, trial-and-error, and goal maintenance. Third, we propose an over-turn masking strategy that prevents penalization of over-turn responses (those that hit the maximum number of turns) during reinforcement learning, thereby balancing training-time efficiency with test-time scalability. Despite training with an upper bound of only six interaction turns, our model generates trajectories that naturally scale to tens of turns at inference time, with accuracy improving as the number of turns increases. Extensive experiments demonstrate that Mini-o3 produces rich reasoning patterns and deep thinking paths, effectively solving challenging visual search problems.

The tendency of users to anthropomorphise large language models (LLMs) is of growing societal interest. Here, we present AnthroBench: a novel empirical method and tool for evaluating anthropomorphic LLM behaviours in realistic settings. Our work introduces three key advances; first, we develop a multi-turn evaluation of 14 distinct anthropomorphic behaviours, moving beyond single-turn assessment. Second, we present a scalable, automated approach by leveraging simulations of user interactions, enabling efficient and reproducible assessment. Third, we conduct an interactive, large-scale human subject study (N=1101) to empirically validate that the model behaviours we measure predict real users’ anthropomorphic perceptions. We find that all evaluated LLMs exhibit similar behaviours, primarily characterised by relationship-building (e.g., empathy and validation) and first-person pronoun use. Crucially, we observe that the majority of these anthropomorphic behaviors only first occur after multiple turns, underscoring the necessity of multi-turn evaluations for understanding complex social phenomena in human-AI interaction. Our work provides a robust empirical foundation for investigating how design choices influence anthropomorphic model behaviours and for progressing the ethical debate on the desirability of these behaviours.

Human-centered assessment tasks, which are essential for systematic decision-making, rely heavily on human judgment and typically lack verifiable ground truth. Existing approaches face a dilemma: methods using only human judgments suffer from heterogeneous expertise and inconsistent rating scales, while methods using only model-generated scores must learn from imperfect proxies or incomplete features. We propose Aggregate-then-Calibrate (AtC), a two-stage framework that combines these complementary sources. Stage-1 aggregates heterogeneous comparative judgments into a consensus ranking $\hat{\pi}$ using a rank-aggregation model that accounts for annotator reliability. Stage-2 calibrates any predictive model’s scores by an isotonic projection onto the order $\hat{\pi}$, enforcing ordinal consistency while preserving as much of the model’s quantitative information as possible. Theoretically, we show: (1) modeling annotator heterogeneity yields strictly more efficient consensus estimation than homogeneity; (2) isotonic calibration enjoys risk bounds even when the consensus ranking is misspecified; and (3) AtC asymptotically outperforms model-only assessment. Across semi-synthetic and real-world datasets, AtC consistently improves accuracy and robustness over human-only or model-only assessments. Our results bridge judgment aggregation with model-free calibration, providing a principled recipe for human-centered assessment when ground truth is costly, scarce, or unverifiable. The data and code are available at \url{https://anonymous.4open.science/r/12500_AtC_supp-4F50}.

Hands play a central role in daily life, yet modeling natural hand motions remains underexplored. Existing methods that tackle text-to-hand-motion generation or hand animation captioning rely on studio-captured datasets with limited actions and contexts, making them costly to scale to “in-the-wild” settings. Further, contemporary models and their training schemes struggle to capture animation fidelity with text–motion alignment. To address this, we (1) introduce ‘3D Hands in the Wild’ (3D-HIW), a dataset of 32K 3D hand-motion sequences and aligned text, and (2) propose CLUTCH, an LLM-based hand animation system with two critical innovations: (a) SHIFT, a novel VQ-VAE architecture to tokenize hand motion, and (b) a geometric refinement stage to finetune the LLM. To build 3D- HIW, we propose a data annotation pipeline that combines vision–language models (VLMs) and state-of-the-art 3D hand trackers, and apply it to a large corpus of egocentric action videos covering a wide range of scenarios. To fully capture motion in-the-wild, CLUTCH employs SHIFT, a part–modality decomposed VQ- VAE, which improves generalization and reconstruction fidelity. Finally, to improve animation quality, we introduce a geometric refinement stage, where CLUTCH is co-supervised with a reconstruction loss applied directly to decoded hand motion parameters. Experiments demonstrate state-of-the-art performance on text-to- motion and motion-to-text tasks, establishing the first benchmark for scalable in-the-wild hand motion modelling. Code, data and models will be released.

Sparse Autoencoders (SAEs) are a powerful dictionary learning technique for decomposing neural network activations, translating the hidden state into human ideas with high semantic value despite no external intervention or guidance. However, this technique has rarely been applied outside of the textual domain, limiting theoretical explorations of feature decomposition. We present the first application of SAEs to the 3D domain, analyzing the features used by a state-of-the-art 3D reconstruction VAE applied to 53k 3D models from the Objaverse dataset. We observe that the network encodes discrete rather than continuous features, leading to our key finding: such models approximate a discrete state space, driven by phase-like transitions from feature activations. Through this state transition framework, we address three otherwise unintuitive behaviors — the inclination of the reconstruction model towards positional encoding representations, the sigmoidal behavior of reconstruction loss from feature ablation, and the bimodality in the distribution of phase transition points. This final observation suggests the model actively manipulates the interference caused by superposition to prioritize the saliency of different features. Our work not only compiles and explains unexpected phenomena regarding feature decomposition, but also describes a generally applicable, state-based feature framework.

Exoskeletons show great promise for enhancing mobility, but providing appropriate assistance remains challenging due to the complexity of human adaptation to external forces. Current state-of-the-art approaches for optimizing exoskeleton controllers require extensive human experiments in which participants must walk for hours, creating a paradox: those who could benefit most from exoskeleton assistance, such as individuals with mobility impairments, are rarely able to participate in such demanding procedures. We present Exo-plore, a simulation framework that combines neuromechanical simulation with deep reinforcement learning to optimize hip exoskeleton assistance without requiring real human experiments. Exo-plore can (1) generate realistic gait data that captures human adaptation to assistive forces, (2) produce reliable optimization results despite the stochastic nature of human gait, and (3) generalize to pathological gaits, showing strong linear relationships between pathology severity and optimal assistance.