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Large language models (LLMs) increasingly rely on external tools and APIs to execute complex tasks specified in natural language. Evaluating such tool calling capabilities in realistic enterprise settings is challenging: APIs are often…

Software Engineering · Computer Science 2026-01-27 Benjamin Elder , Anupama Murthi , Jungkoo Kang , Ankita Rajaram Naik , Kiran Kate , Kinjal Basu , Danish Contractor

Tool calling has emerged as a critical capability for AI agents. In contrast to conventional tool calling frameworks that rely on static, provider-specific tool definitions, the Model Context Protocol (MCP) offers a unified interface to…

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

AI agents increasingly operate over extended time horizons, yet their ability to retain, organize, and recall multimodal experiences remains a critical bottleneck. Building effective lifelong memory requires navigating a vast design space…

Artificial Intelligence · Computer Science 2026-04-03 Jiaqi Liu , Zipeng Ling , Shi Qiu , Yanqing Liu , Siwei Han , Peng Xia , Haoqin Tu , Zeyu Zheng , Cihang Xie , Charles Fleming , Mingyu Ding , Huaxiu Yao

REST APIs, based on the REpresentational State Transfer (REST) architecture, are the primary type of Web API. The OpenAPI Specification (OAS) serves as the de facto standard for describing REST APIs and is crucial for multiple software…

Software Engineering · Computer Science 2026-01-21 Hao Chen , Yunchun Li , Chen Chen , Fengxu Lin , Wei Li

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…

Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved…

Software Engineering · Computer Science 2026-03-27 Abdullah Bahamdan , Emma Pajak , John D. Hedengren , Antonio del Rio Chanona

Large Language Models (LLMs) have substantially influenced various software engineering tasks. Indeed, in the case of software refactoring, traditional LLMs have shown the ability to reduce development time and enhance code quality.…

Software Engineering · Computer Science 2026-03-06 Khouloud Oueslati , Maxime Lamothe , Foutse Khomh

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

Today's AI agents are built on large language models (LLMs) equipped with tools to access and modify external environments, such as corporate file systems, API-accessible platforms and websites. AI agents offer the promise of automating…

Computers and Society · Computer Science 2026-03-26 Merlin Stein

GenAI-based coding assistants have disrupted software development. The next generation of these tools is agent-based, operating with more autonomy and potentially without human oversight. Like human developers, AI agents require contextual…

Software Engineering · Computer Science 2026-02-09 Seyedmoein Mohsenimofidi , Matthias Galster , Christoph Treude , Sebastian Baltes

The proliferation of agent frameworks has led to fragmentation in how agents are defined, executed, and evaluated. Existing systems differ in their abstractions, data flow semantics, and tool integrations, making it difficult to share or…

Large Language Models (LLMs) based agents excel at diverse tasks, yet they suffer from brittle procedural memory that is manually engineered or entangled in static parameters. In this work, we investigate strategies to endow agents with a…

Computation and Language · Computer Science 2026-04-16 Runnan Fang , Yuan Liang , Xiaobin Wang , Jialong Wu , Shuofei Qiao , Pengjun Xie , Fei Huang , Huajun Chen , Ningyu Zhang

Representational State Transfer (REST) APIs are a cornerstone of modern cloud native systems. Ensuring their reliability demands automated test suites that exercise diverse and boundary level behaviors. Nevertheless, designing such test…

Software Engineering · Computer Science 2025-11-03 Jarne Besjes , Robbe Nooyens , Tolgahan Bardakci , Mutlu Beyazit , Serge Demeyer

Large Language Models (LLMs) increasingly serve as consumers of API specifications, whether for code generation, autonomous agent interaction, or API-assisted reasoning. The de facto standard for API description, OpenAPI, was designed for…

Software Engineering · Computer Science 2026-02-24 Daniel Garcia

AI search depends on linking large language models (LLMs) with vast external knowledge sources. Yet web pages, PDF files, and other raw documents are not inherently LLM-ready: they are long, noisy, and unstructured. Conventional retrieval…

Computation and Language · Computer Science 2025-10-31 Hongjin Qian , Zheng Liu

What should a developer inspect before deploying an LLM agent: the model, the tool code, the deployment configuration, or all three? In practice, many security failures in agent systems arise not from model weights alone, but from the…

Cryptography and Security · Computer Science 2026-03-25 Haiyue Zhang , Yi Nian , Yue Zhao

Foundation model (FM)-based AI agents are rapidly gaining adoption across diverse domains, but their inherent non-determinism and non-reproducibility pose testing and quality assurance challenges. While recent benchmarks provide task-level…

Software Engineering · Computer Science 2026-04-06 Mohammed Mehedi Hasan , Hao Li , Emad Fallahzadeh , Gopi Krishnan Rajbahadur , Bram Adams , Ahmed E. Hassan

AI agents, empowered by Large Language Models (LLMs) and communication protocols such as MCP and A2A, have rapidly evolved from simple chatbots to autonomous entities capable of executing complex, multi-step tasks, demonstrating great…

Machine Learning · Computer Science 2025-05-26 Erhu Feng , Wenbo Zhou , Zibin Liu , Le Chen , Yunpeng Dong , Cheng Zhang , Yisheng Zhao , Dong Du , Zhichao Hua , Yubin Xia , Haibo Chen

AI-based systems, including Large Language Models (LLM), impact millions by supporting diverse tasks but face issues like misinformation, bias, and misuse. AI ethics is crucial as new technologies and concerns emerge, but objective,…

Computers and Society · Computer Science 2025-05-19 José Antonio Siqueira de Cerqueira , Mamia Agbese , Rebekah Rousi , Nannan Xi , Juho Hamari , Pekka Abrahamsson
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