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The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

Artificial Intelligence · Computer Science 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

We present the first language-model-driven agentic artificial intelligence (AI) system to autonomously execute multi-stage physics experiments on a production synchrotron light source. Implemented at the Advanced Light Source particle…

Accelerator Physics · Physics 2026-04-28 Thorsten Hellert , Drew Bertwistle , Simon C. Leemann , Antonin Sulc , Marco Venturini

We present AgentOptics, an agentic AI framework for high-fidelity, autonomous optical system control built on the Model Context Protocol (MCP). AgentOptics interprets natural language tasks and executes protocol-compliant actions on…

In recent years, advances in artificial intelligence (AI), particularly generative AI (GenAI) and large language models (LLMs), have made human-computer interactions more frequent, efficient, and accessible across sectors ranging from…

Computers and Society · Computer Science 2025-12-19 Przemek Pospieszny , Dominika P. Brodowicz

Climate data science remains constrained by fragmented data sources, heterogeneous formats, and steep technical expertise requirements. These barriers slow discovery, limit participation, and undermine reproducibility. We present…

Artificial Intelligence · Computer Science 2026-03-16 Ahmed Jaber , Wangshu Zhu , Ayon Roy , Karthick Jayavelu , Justin Downes , Sameer Mohamed , Candace Agonafir , Linnia Hawkins , Tian Zheng

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and…

Artificial Intelligence · Computer Science 2023-12-20 Mehrad Ansari , Seyed Mohamad Moosavi

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

Artificial Intelligence · Computer Science 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

The Materials Genome Initiative catalyzed the proliferation of centralized platforms--SaaS, PaaS, and IaaS--that aggregate computational and experimental resources for accelerated materials discovery. In parallel, breakthroughs in large…

Materials Science · Physics 2026-05-14 Peng Kang , Bixuan Li , Xiaoya Huang , Shuo Shi , Weiqiao Zhou , Zhen Li , Yu Liu , Lei Zheng

High-quality scientific review and perspective papers require substantial time and effort, limiting researchers' ability to synthesize emerging knowledge. While Large Language Models (LLMs) leverage AI Scientists for scientific workflows,…

Artificial Intelligence · Computer Science 2026-03-03 Sasi Kiran Gaddipati , Farhana Keya , Gollam Rabby , Sören Auer

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

The remarkable capabilities and intricate nature of Artificial Intelligence (AI) have dramatically escalated the imperative for specialized AI accelerators. Nonetheless, designing these accelerators for various AI workloads remains both…

Machine Learning · Computer Science 2025-01-07 Yonggan Fu , Yongan Zhang , Zhongzhi Yu , Sixu Li , Zhifan Ye , Chaojian Li , Cheng Wan , Yingyan Celine Lin

A multi-agent AI model is used to automate the discovery of new metallic alloys, integrating multimodal data and external knowledge including insights from physics via atomistic simulations. Our multi-agent system features three key…

Materials Science · Physics 2024-10-18 Alireza Ghafarollahi , Markus J. Buehler

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Generalized large language models (LLMs) such as GPT-4 may not provide specific answers to queries formulated by materials science researchers. These models may produce a high-level outline but lack the capacity to return detailed…

Computation and Language · Computer Science 2024-06-04 Achuth Chandrasekhar , Jonathan Chan , Francis Ogoke , Olabode Ajenifujah , Amir Barati Farimani

While it is still unclear if agents with Artificial General Intelligence (AGI) could ever be built, we can already use mathematical models to investigate potential safety systems for these agents. We present an AGI safety layer that creates…

Artificial Intelligence · Computer Science 2020-07-13 Koen Holtman

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Computation and Language · Computer Science 2023-11-01 Markus J. Buehler