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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

Large Language Models (LLMs) increasingly rely on external tools to perform complex, realistic tasks, yet their ability to utilize the rapidly expanding Model Contextual Protocol (MCP) ecosystem remains limited. Existing MCP research covers…

Artificial Intelligence · Computer Science 2026-04-17 Wenhao Wang , Peizhi Niu , Zhao Xu , Zhaoyu Chen , Jian Du , Yaxin Du , Xianghe Pang , Keduan Huang , Yanfeng Wang , Qiang Yan , Siheng Chen

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool…

Computation and Language · Computer Science 2025-05-13 Elias Lumer , Anmol Gulati , Vamse Kumar Subbiah , Pradeep Honaganahalli Basavaraju , James A. Burke

Recent improvements in large language models (LLMs) have had a dramatic effect on capabilities and productivity across many disciplines involving critical thinking and writing. The development of the model context protocol (MCP) provides a…

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…

Large Language Model (LLM) agents increasingly interact with external systems through tool-calling protocols such as the Model Context Protocol (MCP). In prevailing architectures, the agent must reason about every tool invocation in every…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-05 Abhinav Singh Parmar

The rapid rise of Large Language Models (LLMs)-based intelligent agents underscores the need for robust, scalable evaluation frameworks. Existing methods rely on static benchmarks and labor-intensive data collection, limiting practical…

Artificial Intelligence · Computer Science 2025-08-05 Zhiwei Liu , Jielin Qiu , Shiyu Wang , Jianguo Zhang , Zuxin Liu , Roshan Ram , Haolin Chen , Weiran Yao , Shelby Heinecke , Silvio Savarese , Huan Wang , Caiming Xiong

Large language model (LLM)-based AI agents extend LLM capabilities by enabling access to tools such as data sources, APIs, search engines, code sandboxes, and even other agents. While this empowers agents to perform complex tasks, LLMs may…

Software Engineering · Computer Science 2026-01-14 Aarya Doshi , Yining Hong , Congying Xu , Eunsuk Kang , Alexandros Kapravelos , Christian Kästner

To reduce development overhead and enable seamless integration between potential components comprising any given generative AI application, the Model Context Protocol (MCP) (Anthropic, 2024) has recently been released and subsequently…

Cryptography and Security · Computer Science 2025-04-14 Brandon Radosevich , John Halloran

This paper presents a Large Language Model (LLM) based conversational agent system designed to enhance human-machine collaboration in Machine Learning Operations (MLOps). We introduce the Swarm Agent, an extensible architecture that…

Artificial Intelligence · Computer Science 2025-11-11 George Fatouros , Georgios Makridis , George Kousiouris , John Soldatos , Anargyros Tsadimas , Dimosthenis Kyriazis

Agentic workflows driven by large language models (LLMs) are increasingly applied to Building Information Modelling (BIM), enabling natural-language retrieval, modification and generation of IFC models. Recent work has begun adopting the…

Other Computer Science · Computer Science 2026-03-31 Tobias Heimig-Elschner , Changyu Du , Anna Scheuvens , André Borrmann , Jakob Beetz

Advances in large language models (LLMs) and real-time speech recognition now make it possible to issue any graphical user interface (GUI) action through natural language and receive the corresponding system response directly through the…

Human-Computer Interaction · Computer Science 2025-10-10 Hans G. W. van Dam

Analytical methods underpin geotechnical engineering practice, yet their implementation remains fragmented across error-prone spreadsheets and opaque proprietary software. While Large Language Models (LLMs) offer transformative potential…

Computational Engineering, Finance, and Science · Computer Science 2026-03-03 Yared W. Bekele

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the…

Computation and Language · Computer Science 2025-08-29 Zhenting Wang , Qi Chang , Hemani Patel , Shashank Biju , Cheng-En Wu , Quan Liu , Aolin Ding , Alireza Rezazadeh , Ankit Shah , Yujia Bao , Eugene Siow

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

Current Multimodal Large Language Models (MLLMs) rely on centralized architectures and often suffer from poor alignment between the input task and their fixed visual encoding modules, which limits performance on diverse and dynamic visual…

Networking and Internet Architecture · Computer Science 2025-08-05 Yongjie Zeng , Hongyang Du

Bringing generative AI into the architecture, engineering and construction (AEC) field requires systems that can translate natural language instructions into actions on standardized data models. We present MCP4IFC, a comprehensive…

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…

Recent advancements in large language models (LLMs) provide a more effective pathway for upgrading brain-computer interface (BCI) technology in terms of user interaction. The widespread adoption of BCIs in daily application scenarios is…

Human-Computer Interaction · Computer Science 2025-02-19 Jing Jin , Yutao Zhang , Ruitian Xu , Yixin Chen

Since the introduction of the Model Context Protocol (MCP), the number of available tools for Large Language Models (LLMs) has increased significantly. These task-specific tool sets offer an alternative to general-purpose tools such as web…

Computation and Language · Computer Science 2025-12-12 Reza Esfandiarpoor , Vishwas Suryanarayanan , Stephen H. Bach , Vishal Chowdhary , Anthony Aue
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