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Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…

Artificial Intelligence · Computer Science 2026-03-10 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

Large language models (LLMs) have achieved superior performance in powering text-based AI agents, endowing them with decision-making and reasoning abilities akin to humans. Concurrently, there is an emerging research trend focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-02-26 Junlin Xie , Zhihong Chen , Ruifei Zhang , Xiang Wan , Guanbin Li

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

Software Engineering · Computer Science 2025-07-21 Junda He , Christoph Treude , David Lo

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

We present an autonomous large language model (LLM) agent for end-to-end, data-driven materials theory development. The model can choose an equation form, generate and run its own code, and test how well the theory matches the data without…

Artificial Intelligence · Computer Science 2026-04-23 Samuel Onimpa Alfred , Veera Sundararaghavan

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

Next-generation instruments for ground-based gamma-ray astronomy are marked by a substantial increase in complexity, featuring dozens of telescopes. This leap in scale introduces significant challenges in managing system operations and…

Instrumentation and Methods for Astrophysics · Physics 2025-03-04 D. Kostunin , V. Sotnikov , S. Golovachev , A. Strube

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material…

Human-Computer Interaction · Computer Science 2024-01-26 Yongtao Liu , Marti Checa , Rama K. Vasudevan

This paper presents an innovative large language model (LLM) agent framework for enhancing diagnostic accuracy in simulated clinical environments using the AgentClinic benchmark. The proposed automatic correction enables doctor agents to…

Artificial Intelligence · Computer Science 2024-10-15 Abhishek Dutta , Yen-Che Hsiao

As Large Language Models (LLMs) transition from static tools to autonomous agents, traditional evaluation benchmarks that measure performance on downstream tasks are becoming insufficient. These methods fail to capture the emergent social…

Artificial Intelligence · Computer Science 2025-10-03 Zarreen Reza

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Using AI to create autonomous researchers has the potential to accelerate scientific discovery. A prerequisite for this vision is understanding how well an AI model can identify the underlying structure of a black-box system from its…

Machine Learning · Computer Science 2025-05-26 Jiayi Geng , Howard Chen , Dilip Arumugam , Thomas L. Griffiths

Despite demonstrating robust capabilities in performing tasks related to general-domain data-operation tasks, Large Language Models (LLMs) may exhibit shortcomings when applied to domain-specific tasks. We consider the design of…

Human-Computer Interaction · Computer Science 2024-05-10 Jiajing Guo , Vikram Mohanty , Jorge Piazentin Ono , Hongtao Hao , Liang Gou , Liu Ren