Zhenzhen Xie

Wenpeng Xing, Zhonghao Qi, Yupeng Qin et al.

The integration of Large Language Models (LLMs) with external tools via protocols such as the Model Context Protocol (MCP) introduces critical security vulnerabilities, including prompt injection, data exfiltration, and other threats. To counter these challenges, we propose MCP-Guard, a robust, layered defense architecture designed for LLM--tool interactions. MCP-Guard employs a three-stage detection pipeline that balances efficiency with accuracy: it progresses from lightweight static scanning for overt threats and a deep neural detector for semantic attacks, to our fine-tuned E5-based model achieves (96.01) accuracy in identifying adversarial prompts. Finally, a lightweight LLM arbitrator synthesizes these signals to deliver the final decision while minimizing false positives. To facilitate rigorous training and evaluation, we also introduce MCP-AttackBench, a comprehensive benchmark of over 70,000 samples. Sourced from public datasets and augmented by GPT-4, MCP-AttackBench simulates diverse, real-world attack vectors in the MCP format, providing a foundation for future research into securing LLM-tool ecosystems.

Junwei Su, Cheng Xin, Ao Shang et al.

This paper systematically reviews recent advances in artificial intelligence (AI), with a particular focus on machine learning (ML), across the entire drug discovery pipeline. Due to the inherent complexity, escalating costs, prolonged timelines, and high failure rates of traditional drug discovery methods, there is a critical need to comprehensively understand how AI/ML can be effectively integrated throughout the full process. Currently available literature reviews often narrowly focus on specific phases or methodologies, neglecting the dependence between key stages such as target identification, hit screening, and lead optimization. To bridge this gap, our review provides a detailed and holistic analysis of AI/ML applications across these core phases, highlighting significant methodological advances and their impacts at each stage. We further illustrate the practical impact of these techniques through an in-depth case study focused on hyperuricemia, gout arthritis, and hyperuricemic nephropathy, highlighting real-world successes in molecular target identification and therapeutic candidate discovery. Additionally, we discuss significant challenges facing AI/ML in drug discovery and outline promising future research directions. Ultimately, this review serves as an essential orientation for researchers aiming to leverage AI/ML to overcome existing bottlenecks and accelerate drug discovery.

Ruirui Zhang, Xingze Wu, Yifei Zou et al.

The paper studies a fundamental federated learning (FL) problem involving multiple clients with heterogeneous constrained resources. Compared with the numerous training parameters, the computing and communication resources of clients are insufficient for fast local training and real-time knowledge sharing. Besides, training on clients with heterogeneous resources may result in the straggler problem. To address these issues, we propose Fed-RAA: a Resource-Adaptive Asynchronous Federated learning algorithm. Different from vanilla FL methods, where all parameters are trained by each participating client regardless of resource diversity, Fed-RAA adaptively allocates fragments of the global model to clients based on their computing and communication capabilities. Each client then individually trains its assigned model fragment and asynchronously uploads the updated result. Theoretical analysis confirms the convergence of our approach. Additionally, we design an online greedy-based algorithm for fragment allocation in Fed-RAA, achieving fairness comparable to an offline strategy. We present numerical results on MNIST, CIFAR-10, and CIFAR-100, along with necessary comparisons and ablation studies, demonstrating the advantages of our work. To the best of our knowledge, this paper represents the first resource-adaptive asynchronous method for fragment-based FL with guaranteed theoretical convergence.

Junjie Pang, Jianbo Li, Zhenzhen Xie et al.

In this work, we propose a collaborative city digital twin based on FL, a novel paradigm that allowing multiple city DT to share the local strategy and status in a timely manner. In particular, an FL central server manages the local updates of multiple collaborators (city DT), provides a global model which is trained in multiple iterations at different city DT systems, until the model gains the correlations between various response plan and infection trend. That means, a collaborative city DT paradigm based on FL techniques can obtain knowledge and patterns from multiple DTs, and eventually establish a `global view' for city crisis management. Meanwhile, it also helps to improve each city digital twin selves by consolidating other DT's respective data without violating privacy rules. To validate the proposed solution, we take COVID-19 pandemic as a case study. The experimental results on the real dataset with various response plan validate our proposed solution and demonstrate the superior performance.