Force field-based molecular dynamics (MD) simulations are indispensable for probing the structure, dynamics, and functions of biomolecular systems, including proteins and protein-ligand complexes. Despite their broad utility in drug discovery and protein engineering, the technical complexity of MD setup, encompassing parameterization, input preparation, and software configuration, remains a major barrier for widespread and efficient usage. Agentic LLMs have demonstrated their capacity to autonomously execute multi-step scientific processes, and to date, they have not successfully been used to automate protein-ligand MD workflows. Here, we present DynaMate, a modular multi-agent framework that autonomously designs and executes complete MD workflows for both protein and protein-ligand systems, and offers free energy binding affinity calculations with the MM/PB(GB)SA method. The framework integrates dynamic tool use, web search, PaperQA, and a self-correcting behavior. DynaMate comprises three specialized modules, interacting to plan the experiment, perform the simulation, and analyze the results. We evaluated its performance across twelve benchmark systems of varying complexity, assessing success rate, efficiency, and adaptability. DynaMate reliably performed full MD simulations, corrected runtime errors through iterative reasoning, and produced meaningful analyses of protein-ligand interactions. This automated framework paves the way toward standardized, scalable, and time-efficient molecular modeling pipelines for future biomolecular and drug design applications.

Inspired by how humans combine direct interaction with action-free experience (e.g., videos), we study world models that learn from heterogeneous data. Standard world models typically rely on action-conditioned trajectories, which limits effectiveness when action labels are scarce. We introduce a family of latent-action world models that jointly use action-conditioned and action-free data by learning a shared latent action representation. This latent space aligns observed control signals with actions inferred from passive observations, enabling a single dynamics model to train on large-scale unlabeled trajectories while requiring only a small set of action-labeled ones. We use the latent-action world model to learn a latent-action policy through offline reinforcement learning (RL), thereby bridging two traditionally separate domains: offline RL, which typically relies on action-conditioned data, and action-free training, which is rarely used with subsequent RL. On the DeepMind Control Suite, our approach achieves strong performance while using about an order of magnitude fewer action-labeled samples than purely action-conditioned baselines. These results show that latent actions enable training on both passive and interactive data, which makes world models learn more efficiently.

Abstract--The rapid growth of Web3.0 is transforming the Internet from a centralized structure to decentralized, which empowers users with unprecedented self-sovereignty over their own data. However, in the context of decentralized data access within Web3.0, it is imperative to cope with efficiency concerns caused by the replication of redundant data, as well as security vulnerabilities caused by data inconsistency. T o address these challenges, we develop a Trustworthy Decentralized Cooperative Caching (TDC-Cache) framework for Web3.0 to ensure efficient caching and enhance system resilience against adversarial threats. This framework features a two-layer architecture, wherein the Decentralized Oracle Network (DON) layer serves as a trusted intermediary platform for decentralized caching, bridging the contents from decentralized storage and the content requests from users. In light of the complexity of Web3.0 network topologies and data flows, we propose a Deep Reinforcement Learning-Based Decentralized Caching (DRL-DC) for TDC-Cache to dynamically optimize caching strategies of distributed oracles. Furthermore, we develop a Proof of Cooperative Learning (PoCL) consensus to maintain the consistency of decentralized caching decisions within DON. Experimental results show that, compared with existing approaches, the proposed framework reduces average access latency by 20%, increases the cache hit rate by at most 18%, and improves the average success consensus rate by 10%. Overall, this paper serves as a first foray into the investigation of decentralized caching framework and strategy for Web3.0. HE rapid evolution of Web3.0 is driving the transition from traditional centralized systems to decentralized architectures. Leveraging blockchain, decentralized storage, and smart contracts, Web3.0 empowers users with unprecedented self-sovereignty over their own data through Decentralized Applications (DApps) [1].

Machine unlearning aims to remove the influence of specific data points from a trained model to satisfy privacy, copyright, and safety requirements. In real deployments, providers distribute a global model to many edge devices, where each client personalizes the model using private data. When a deletion request is issued, clients may ignore it or falsely claim compliance, and providers cannot check their parameters or data. This makes verification difficult, especially because personalized models must forget the targeted samples while preserving local utility, and verification must remain lightweight on edge devices. We introduce ZK APEX, a zero-shot personalized unlearning method that operates directly on the personalized model without retraining. ZK APEX combines sparse masking on the provider side with a small Group OBS compensation step on the client side, using a blockwise empirical Fisher matrix to create a curvature-aware update designed for low overhead. Paired with Halo2 zero-knowledge proofs, it enables the provider to verify that the correct unlearning transformation was applied without revealing any private data or personalized parameters. On Vision Transformer classification tasks, ZK APEX recovers nearly all personalization accuracy while effectively removing the targeted information. Applied to the OPT125M generative model trained on code data, it recovers around seventy percent of the original accuracy. Proof generation for the ViT case completes in about two hours, more than ten million times faster than retraining-based checks, with less than one gigabyte of memory use and proof sizes around four hundred megabytes. These results show the first practical framework for verifiable personalized unlearning on edge devices.

Heterogeneous graph neural networks (HGNNs) have demonstrated strong capability in modeling complex semantics across multi-type nodes and relations. However, their scalability to large-scale graphs remains challenging due to structural redundancy and high-dimensional node features. Existing graph condensation approaches, such as GCond, are primarily developed for homogeneous graphs and rely on gradient matching, resulting in considerable computational, memory, and optimization overhead. We propose HGC-Herd, a training-free condensation framework that generates compact yet informative heterogeneous graphs while maintaining both semantic and structural fidelity. HGC-Herd integrates lightweight feature propagation to encode multi-hop relational context and employs a class-wise herding mechanism to identify representative nodes per class, producing balanced and discriminative subsets for downstream learning tasks. Extensive experiments on ACM, DBLP, and Freebase validate that HGC-Herd attains comparable or superior accuracy to full-graph training while markedly reducing both runtime and memory consumption. These results underscore its practical value for efficient and scalable heterogeneous graph representation learning.

The latency and power consumption of large language models (LLMs) are major constraints when serving them across a wide spectrum of hardware platforms, from mobile edge devices to cloud GPU clusters. Benchmarking is crucial for optimizing efficiency in both model deployment and next-generation model development. To address this need, we open-source a simple profiling tool, \textbf{ELANA}, for evaluating LLMs. ELANA is designed as a lightweight, academic-friendly profiler for analyzing model size, key-value (KV) cache size, prefilling latency (Time-to-first-token, TTFT), generation latency (Time-per-output-token, TPOT), and end-to-end latency (Time-to-last-token, TTLT) of LLMs on both multi-GPU and edge GPU platforms. It supports all publicly available models on Hugging Face and offers a simple command-line interface, along with optional energy consumption logging. Moreover, ELANA is fully compatible with popular Hugging Face APIs and can be easily customized or adapted to compressed or low bit-width models, making it ideal for research on efficient LLMs or for small-scale proof-of-concept studies. We release the ELANA profiling tool at: https://github.com/enyac-group/Elana.

Reinsurance decision-making exhibits the core structural properties that motivate multi-agent models: distributed and asymmetric information, partial observability, heterogeneous epistemic responsibilities, simulator-driven environment dynamics, and binding prudential and regulatory constraints. Deterministic workflow automation cannot meet these requirements, as it lacks the epistemic flexibility, cooperative coordination mechanisms, and norm-sensitive behaviour required for institutional risk-transfer. We propose the Reinsurance Constrained Multi-Agent Simulation Process (R-CMASP), a formal model that extends stochastic games and Dec-POMDPs by adding three missing elements: (i) simulator-coupled transition dynamics grounded in catastrophe, capital, and portfolio engines; (ii) role-specialized agents with structured observability, belief updates, and typed communication; and (iii) a normative feasibility layer encoding solvency, regulatory, and organizational rules as admissibility constraints on joint actions. Using LLM-based agents with tool access and typed message protocols, we show in a domain-calibrated synthetic environment that governed multi-agent coordination yields more stable, coherent, and norm-adherent behaviour than deterministic automation or monolithic LLM baselines--reducing pricing variance, improving capital efficiency, and increasing clause-interpretation accuracy. Embedding prudential norms as admissibility constraints and structuring communication into typed acts measurably enhances equilibrium stability. Overall, the results suggest that regulated, simulator-driven decision environments are most naturally modelled as norm-governed, simulator-coupled multi-agent systems.

Abstract--Short-term voltage stability assessment (STVSA) is critical for secure power system operation. While classical machine learning-based methods have demonstrated strong performance, they still face challenges in robustness under adversarial conditions. This paper proposes QST Aformer--a tailored quantum-enhanced Transformer architecture that embeds parameterized quantum circuits (PQCs) into attention mechanisms--for robust and efficient STVSA. A dedicated adversarial training strategy is developed to defend against both white-box and gray-box attacks. Furthermore, diverse PQC architectures are benchmarked to explore trade-offs between expressiveness, convergence, and efficiency. T o the best of our knowledge, this is the first work to systematically investigate the adversarial vulnerability of quantum machine learning-based STVSA. Case studies on the IEEE 39-bus system demonstrate that QST Aformer achieves competitive accuracy, reduced complexity, and stronger robustness, underscoring its potential for secure and scalable STVSA under adversarial conditions. ITH the high penetration of converter-interfaced renewable energy sources and the growing deployment of fast-acting power electronic devices, maintaining short-term voltage stability (STVS) in modern power systems has become a pressing challenge [1]. STVS characterizes a power system's ability to preserve acceptable voltage profiles during the initial seconds following a disturbance [2], and this stability is primarily influenced by the dynamic behavior of fast acting loads, Li is with the School of Electrical Engineering, Northeast Electric Power University, Jilin 132012, China (e-mail: liyang@neepu.edu.cn). C. Ma is with State Grid Shandong Electric Power Company Jiaozhou Power Supply Company, Jiaozhou 266300, China (email:machong58112233@163.com). Z. Li is with the School of Artificial Intelligence and Automation, Huazhong University of Science and Technology, Wuhan 430074, China (email: Y uanzheng Li@hust.edu.cn). Sen Li is with the Department of Civil and Environmental Engineering, The Hong Kong University of Science and Technology, Hong Kong.

Fact-checking health-related claims has become increasingly critical as misinformation proliferates online. Effective verification requires both the retrieval of high-quality evidence and rigorous reasoning processes. In this paper, we propose a two-stage framework for health misinformation detection: Agreement Score Prediction followed by Multi-Agent Debate. In the first stage, we employ large language models (LLMs) to independently evaluate retrieved articles and compute an aggregated agreement score that reflects the overall evidence stance. When this score indicates insufficient consensus-falling below a predefined threshold-the system proceeds to a second stage. Multiple agents engage in structured debate to synthesize conflicting evidence and generate well-reasoned verdicts with explicit justifications. Experimental results demonstrate that our two-stage approach achieves superior performance compared to baseline methods, highlighting the value of combining automated scoring with collaborative reasoning for complex verification tasks.

Access to expert knowledge often requires real-time human communication. Digital tools improve access to information but rarely create the sense of connection needed for deep understanding. This study addresses this issue using Social Presence Theory, which explains how a feeling of "being together" enhances communication. An "Embodied Information Hub" is proposed as a new way to share knowledge through physical and conversational interaction. The prototype, Suzume-chan, is a small, soft AI agent running locally with a language model and retrieval-augmented generation (RAG). It learns from spoken explanations and responds through dialogue, reducing psychological distance and making knowledge sharing warmer and more human-centered.