Abstract:Graph neural Ordinary Differential Equations (ODE) combine neural ODE with the message passing mechanism of Graph Neural Networks (GNN), providing a continuous-time modeling method for graph representation learning. However, in dynamic graph scenarios, existing graph neural ODEs typically employ a unified message passing mechanism, assuming that inter-node interactions share the same message passing function at any time, which makes it challenging to capture the diversity and time-varying nature of inter-node interaction patterns. To address this, we propose Time-varying Interaction Graph Ordinary Differential Equations (TI-ODE). The core idea of TI-ODE is to decompose the evolution function of a graph ODE into a set of learnable interaction basis functions, where each basis function corresponds to a distinct type of inter-node interaction. These basis functions are dynamically combined through time-dependent learnable weights, enabling inter-node interaction patterns to adaptively evolve over time. Experimental results on six dynamic graph datasets demonstrate that TI-ODE consistently outperforms existing methods and achieves state-of-the-art performance on attribute prediction tasks, and experiments on the \textit{Covid} dataset further verify the interpretability and generalizability of our TI-ODE. Furthermore, we demonstrate both theoretically and empirically that TI-ODE exhibits superior robustness compared to models utilizing a unified message-passing mechanism.
Abstract:Mechanistic understanding and rational design of complex chemical systems depend on fast and accurate predictions of electronic structures beyond individual building blocks. However, if the system exceeds hundreds of atoms, first-principles quantum mechanical (QM) modeling becomes impractical. In this study, we developed FB-GNN-MBE by integrating a fragment-based graph neural network (FB-GNN) into the many-body expansion (MBE) theory and demonstrated its capacity to reproduce first-principles potential energy surfaces (PES) for hierarchically structured systems with manageable accuracy, complexity, and interpretability. Specifically, we divided the entire system into basic building blocks (fragments), evaluated their one-fragment energies using a QM model, and addressed many-fragment interactions using the structure-property relationships trained by FB-GNNs. Our investigation shows that FB-GNN-MBE achieves chemical accuracy in predicting two-body (2B) and three-body (3B) energies across water, phenol, and mixture benchmarks, as well as the one-dimensional dissociation curves of water and phenol dimers. To transfer the success of FB-GNN-MBE across various systems with minimal computational costs and data demands, we developed and validated a teacher-student learning protocol. A heavy-weight FB-GNN trained on a mixed-density water cluster ensemble (teacher) distills its learned knowledge and passes it to a light-weight GNN (student), which is later fine-tuned on a uniform-density (H2O)21 cluster ensemble. This transfer learning strategy resulted in efficient and accurate prediction of 2B and 3B energies for variously sized water clusters without retraining. Our transferable FB-GNN-MBE framework outperformed conventional non-FB-GNN-based models and showed high practicality for large-scale molecular simulations.
Abstract:As the Internet of Things (IoT) becomes deeply embedded in daily life, users are increasingly concerned about privacy leakage, especially from video data. Since frame-by-frame protection in large-scale video analytics (e.g., smart communities) introduces significant latency, a more efficient solution is to selectively protect frames containing privacy objects (e.g., faces). Existing object detectors require fully decoded videos or per-frame processing in compressed videos, leading to decoding overhead or reduced accuracy. Therefore, we propose ComPrivDet, an efficient method for detecting privacy objects in compressed video by reusing I-frame inference results. By identifying the presence of new objects through compressed-domain cues, ComPrivDet either skips P- and B-frame detections or efficiently refines them with a lightweight detector. ComPrivDet maintains 99.75% accuracy in private face detection and 96.83% in private license plate detection while skipping over 80% of inferences. It averages 9.84% higher accuracy with 75.95% lower latency than existing compressed-domain detection methods.
Abstract:To standardize interactions between LLM-based agents and their environments, the Model Context Protocol (MCP) was proposed and has since been widely adopted. However, integrating external tools expands the attack surface, exposing agents to tool poisoning attacks. In such attacks, malicious instructions embedded in tool metadata are injected into the agent context during MCP registration phase, thereby manipulating agent behavior. Prior work primarily focuses on explicit tool poisoning or relied on manually crafted poisoned tools. In contrast, we focus on a particularly stealthy variant: implicit tool poisoning, where the poisoned tool itself remains uninvoked. Instead, the instructions embedded in the tool metadata induce the agent to invoke a legitimate but high-privilege tool to perform malicious operations. We propose MCP-ITP, the first automated and adaptive framework for implicit tool poisoning within the MCP ecosystem. MCP-ITP formulates poisoned tool generation as a black-box optimization problem and employs an iterative optimization strategy that leverages feedback from both an evaluation LLM and a detection LLM to maximize Attack Success Rate (ASR) while evading current detection mechanisms. Experimental results on the MCPTox dataset across 12 LLM agents demonstrate that MCP-ITP consistently outperforms the manually crafted baseline, achieving up to 84.2% ASR while suppressing the Malicious Tool Detection Rate (MDR) to as low as 0.3%.
Abstract:Accurate and interpretable forecasting of multivariate time series is crucial for understanding the complex dynamics of cryptocurrency markets in digital asset systems. Advanced deep learning methodologies, particularly Transformer-based and MLP-based architectures, have achieved competitive predictive performance in cryptocurrency forecasting tasks. However, cryptocurrency data is inherently composed of long-term socio-economic trends and local high-frequency speculative oscillations. Existing deep learning-based 'black-box' models fail to effectively decouple these composite dynamics or provide the interpretability needed for trustworthy financial decision-making. To overcome these limitations, we propose DecoKAN, an interpretable forecasting framework that integrates multi-level Discrete Wavelet Transform (DWT) for decoupling and hierarchical signal decomposition with Kolmogorov-Arnold Network (KAN) mixers for transparent and interpretable nonlinear modeling. The DWT component decomposes complex cryptocurrency time series into distinct frequency components, enabling frequency-specific analysis, while KAN mixers provide intrinsically interpretable spline-based mappings within each decomposed subseries. Furthermore, interpretability is enhanced through a symbolic analysis pipeline involving sparsification, pruning, and symbolization, which produces concise analytical expressions offering symbolic representations of the learned patterns. Extensive experiments demonstrate that DecoKAN achieves the lowest average Mean Squared Error on all tested real-world cryptocurrency datasets (BTC, ETH, XMR), consistently outperforming a comprehensive suite of competitive state-of-the-art baselines. These results validate DecoKAN's potential to bridge the gap between predictive accuracy and model transparency, advancing trustworthy decision support within complex cryptocurrency markets.
Abstract:The rapid evolution of Large Language Models (LLMs) into autonomous agents has led to the adoption of the Model Context Protocol (MCP) as a standard for discovering and invoking external tools. While this architecture decouples the reasoning engine from tool execution to enhance scalability, it introduces a significant privacy surface: third-party MCP servers, acting as semi-honest intermediaries, can observe detailed tool interaction logs outside the user's trusted boundary. In this paper, we first identify and formalize a novel privacy threat termed Intent Inversion, where a semi-honest MCP server attempts to reconstruct the user's private underlying intent solely by analyzing legitimate tool calls. To systematically assess this vulnerability, we propose IntentMiner, a framework that leverages Hierarchical Information Isolation and Three-Dimensional Semantic Analysis, integrating tool purpose, call statements, and returned results, to accurately infer user intent at the step level. Extensive experiments demonstrate that IntentMiner achieves a high degree of semantic alignment (over 85%) with original user queries, significantly outperforming baseline approaches. These results highlight the inherent privacy risks in decoupled agent architectures, revealing that seemingly benign tool execution logs can serve as a potent vector for exposing user secrets.
Abstract:Jailbreak attacks can circumvent model safety guardrails and reveal critical blind spots. Prior attacks on text-to-video (T2V) models typically add adversarial perturbations to obviously unsafe prompts, which are often easy to detect and defend. In contrast, we show that benign-looking prompts containing rich, implicit cues can induce T2V models to generate semantically unsafe videos that both violate policy and preserve the original (blocked) intent. To realize this, we propose VEIL, a jailbreak framework that leverages T2V models' cross-modal associative patterns via a modular prompt design. Specifically, our prompts combine three components: neutral scene anchors, which provide the surface-level scene description extracted from the blocked intent to maintain plausibility; latent auditory triggers, textual descriptions of innocuous-sounding audio events (e.g., creaking, muffled noises) that exploit learned audio-visual co-occurrence priors to bias the model toward particular unsafe visual concepts; and stylistic modulators, cinematic directives (e.g., camera framing, atmosphere) that amplify and stabilize the latent trigger's effect. We formalize attack generation as a constrained optimization over the above modular prompt space and solve it with a guided search procedure that balances stealth and effectiveness. Extensive experiments over 7 T2V models demonstrate the efficacy of our attack, achieving a 23 percent improvement in average attack success rate in commercial models.
Abstract:Geometric Problem Solving (GPS) poses a unique challenge for Multimodal Large Language Models (MLLMs), requiring not only the joint interpretation of text and diagrams but also iterative visuospatial reasoning. While existing approaches process diagrams as static images, they lack the capacity for dynamic manipulation - a core aspect of human geometric reasoning involving auxiliary line construction and affine transformations. We present GeoSketch, a neural-symbolic framework that recasts geometric reasoning as an interactive perception-reasoning-action loop. GeoSketch integrates: (1) a Perception module that abstracts diagrams into structured logic forms, (2) a Symbolic Reasoning module that applies geometric theorems to decide the next deductive step, and (3) a Sketch Action module that executes operations such as drawing auxiliary lines or applying transformations, thereby updating the diagram in a closed loop. To train this agent, we develop a two-stage pipeline: supervised fine-tuning on 2,000 symbolic-curated trajectories followed by reinforcement learning with dense, symbolic rewards to enhance robustness and strategic exploration. To evaluate this paradigm, we introduce the GeoSketch Benchmark, a high-quality set of 390 geometry problems requiring auxiliary construction or affine transformations. Experiments on strong MLLM baselines demonstrate that GeoSketch significantly improves stepwise reasoning accuracy and problem-solving success over static perception methods. By unifying hierarchical decision-making, executable visual actions, and symbolic verification, GeoSketch advances multimodal reasoning from static interpretation to dynamic, verifiable interaction, establishing a new foundation for solving complex visuospatial problems.
Abstract:Vision-language (VL) models have shown transformative potential across various critical domains due to their capability to comprehend multi-modal information. However, their performance frequently degrades under distribution shifts, making it crucial to assess and improve robustness against real-world data corruption encountered in practical applications. While advancements in VL benchmark datasets and data augmentation (DA) have contributed to robustness evaluation and improvement, there remain challenges due to a lack of in-depth comprehension of model behavior as well as the need for expertise and iterative efforts to explore data patterns. Given the achievement of visualization in explaining complex models and exploring large-scale data, understanding the impact of various data corruption on VL models aligns naturally with a visual analytics approach. To address these challenges, we introduce VisMoDAl, a visual analytics framework designed to evaluate VL model robustness against various corruption types and identify underperformed samples to guide the development of effective DA strategies. Grounded in the literature review and expert discussions, VisMoDAl supports multi-level analysis, ranging from examining performance under specific corruptions to task-driven inspection of model behavior and corresponding data slice. Unlike conventional works, VisMoDAl enables users to reason about the effects of corruption on VL models, facilitating both model behavior understanding and DA strategy formulation. The utility of our system is demonstrated through case studies and quantitative evaluations focused on corruption robustness in the image captioning task.
Abstract:Pre-trained Language Models (PLMs) are trained on large amounts of unlabeled data, yet they exhibit remarkable reasoning skills. However, the trustworthiness challenges posed by these black-box models have become increasingly evident in recent years. To alleviate this problem, this paper proposes a novel Knowledge-guided Probing approach called KnowProb in a post-hoc explanation way, which aims to probe whether black-box PLMs understand implicit knowledge beyond the given text, rather than focusing only on the surface level content of the text. We provide six potential explanations derived from the underlying content of the given text, including three knowledge-based understanding and three association-based reasoning. In experiments, we validate that current small-scale (or large-scale) PLMs only learn a single distribution of representation, and still face significant challenges in capturing the hidden knowledge behind a given text. Furthermore, we demonstrate that our proposed approach is effective for identifying the limitations of existing black-box models from multiple probing perspectives, which facilitates researchers to promote the study of detecting black-box models in an explainable way.