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Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by…

The increasing use of large language models (LLMs) in mental healthcare raises safety concerns in high-stakes therapeutic interactions. A key challenge is distinguishing therapeutic empathy from maladaptive validation, where supportive…

Computation and Language · Computer Science 2026-04-07 Qingyang Xu , Yaling Shen , Stephanie Fong , Zimu Wang , Yiwen Jiang , Xiangyu Zhao , Jiahe Liu , Zhongxing Xu , Vincent Lee , Zongyuan Ge

This paper reports on the implementation and evaluation of a Model Context Protocol (MCP) server for DraCor, enabling Large Language Models (LLM) to autonomously interact with the DraCor API. We conducted experiments focusing on tool…

Software Engineering · Computer Science 2025-08-20 Peer Trilcke , Ingo Börner , Henny Sluyter-Gäthje , Daniil Skorinkin , Frank Fischer , Carsten Milling

Modern process simulators enable detailed process design, simulation, and optimization; however, constructing and interpreting simulations is time-consuming and requires expert knowledge. This limits early exploration by inexperienced…

Chemical Physics · Physics 2026-05-22 Jingkang Liang , Niklas Groll , Gürkan Sin

For safety reasons, large language models (LLMs) are trained to refuse harmful user instructions, such as assisting dangerous activities. We study an open question in this work: does the desired safety refusal, typically enforced in chat…

While Large Language Models (LLMs) have achieved remarkable performance, they remain vulnerable to jailbreak. The integration of Large Language Models (LLMs) with external tools via protocols such as the Model Context Protocol (MCP)…

Cryptography and Security · Computer Science 2026-01-09 Wenpeng Xing , Zhonghao Qi , Yupeng Qin , Yilin Li , Caini Chang , Jiahui Yu , Changting Lin , Zhenzhen Xie , Meng Han

Large Language Model (LLM) agents equipped with external tools have become increasingly powerful for complex tasks such as web shopping, automated email replies, and financial trading. However, these advancements amplify the risks of…

Cryptography and Security · Computer Science 2025-11-13 Jiawei Zhang , Shuang Yang , Bo Li

The Model Context Protocol (MCP) has rapidly emerged as a universal standard for connecting AI assistants to external tools and data sources. While MCP simplifies integration between AI applications and various services, it introduces…

Cryptography and Security · Computer Science 2026-03-25 Charoes Huang , Xin Huang , Ngoc Phu Tran , Amin Milani Fard

Large Language Models (LLMs) are redefining offensive cybersecurity by allowing the generation of harmful machine code with minimal human intervention. While attackers take advantage of dark LLMs such as XXXGPT and WolfGPT to produce…

Cryptography and Security · Computer Science 2026-04-14 Ricardo Bessa , Rui Claro , João Trindade , João Lourenço

The exploitation of large language models (LLMs) for malicious purposes poses significant security risks as these models become more powerful and widespread. While most existing red-teaming frameworks focus on single-turn attacks,…

Artificial Intelligence · Computer Science 2025-04-03 Si Chen , Xiao Yu , Ninareh Mehrabi , Rahul Gupta , Zhou Yu , Ruoxi Jia

The emergence of autonomous Large Language Model (LLM) agents capable of tool usage has introduced new safety risks that go beyond traditional conversational misuse. These agents, empowered to execute external functions, are vulnerable to…

Artificial Intelligence · Computer Science 2025-07-14 Zeyang Sha , Hanling Tian , Zhuoer Xu , Shiwen Cui , Changhua Meng , Weiqiang Wang

Recently, autonomous agents built on large language models (LLMs) have experienced significant development and are being deployed in real-world applications. These agents can extend the base LLM's capabilities in multiple ways. For example,…

Cryptography and Security · Computer Science 2024-07-31 Boyang Zhang , Yicong Tan , Yun Shen , Ahmed Salem , Michael Backes , Savvas Zannettou , Yang Zhang

Explicit modeling of capabilities and skills -- whether based on ontologies, Asset Administration Shells, or other technologies -- requires considerable manual effort and often results in representations that are not easily accessible to…

Software Engineering · Computer Science 2025-12-10 Luis Miguel Vieira da Silva , Aljosha Köcher , Felix Gehlhoff

The Model Context Protocol (MCP) enables large language models to invoke external tools through natural-language descriptions, forming the foundation of many AI agent applications. However, MCP does not enforce consistency between…

Cryptography and Security · Computer Science 2026-02-04 Zhihao Li , Boyang Ma , Xuelong Dai , Minghui Xu , Yue Zhang , Biwei Yan , Kun Li

The Model Context Protocol (MCP) has emerged as a standard for connecting large language models (LLMs) with external tools. However, this MCP ecosystem introduces new security risks across hosts, servers, and registries. In this paper, we…

Cryptography and Security · Computer Science 2026-04-29 Xiaofan Li , Xing Gao

Large language model (LLM)-based agents combine LLMs with external tools to automate tasks such as scheduling meetings, managing documents, or booking travel. While these integrations unlock powerful capabilities, they also create new and…

Cryptography and Security · Computer Science 2026-04-22 Jonathan Evertz , Merlin Chlosta , Lea Schönherr , Thorsten Eisenhofer

Large Language Model (LLM) agents have shown significant autonomous capabilities in dynamically searching and incorporating relevant tools or Model Context Protocol (MCP) servers for individual queries. However, fixed context windows limit…

Computation and Language · Computer Science 2025-07-30 Elias Lumer , Anmol Gulati , Vamse Kumar Subbiah , Pradeep Honaganahalli Basavaraju , James A. Burke

The rapid adoption of Large Language Model (LLM) agents and multi-agent systems enables remarkable capabilities in natural language processing and generation. However, these systems introduce security vulnerabilities that extend beyond…

Cryptography and Security · Computer Science 2026-05-12 Matteo Lupinacci , Francesco Aurelio Pironti , Francesco Blefari , Francesco Romeo , Luigi Arena , Angelo Furfaro

Human-AI collaboration faces growing challenges as AI systems increasingly outperform humans on complex tasks, while humans remain responsible for orchestration, validation, and decision oversight. To address this imbalance, we introduce…

Human-Computer Interaction · Computer Science 2026-02-16 Yuanrong Tang , Huiling Peng , Bingxi Zhao , Hengyang Ding , Hanchao Song , Tianhong Wang , Chen Zhong , Jiangtao Gong

Recently, red teaming, with roots in security, has become a key evaluative approach to ensure the safety and reliability of Generative Artificial Intelligence. However, most existing work emphasizes technical benchmarks and attack success…

Computers and Society · Computer Science 2026-02-24 Adriana Alvarado Garcia , Ruyuan Wan , Ozioma C. Oguine , Karla Badillo-Urquiola