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Related papers: Towards Agentic Intelligence for Materials Science

200 papers

Mental health disorders affect millions worldwide, and healthcare systems are increasingly overwhelmed by the volume of clinical data generated from electronic records, telemedicine platforms, and population-level screening programs. At the…

Artificial Intelligence · Computer Science 2026-05-14 Giuliano Lorenzoni , Paulo Alencar , Donald Cowan

This survey paper examines the recent advancements in AI agent implementations, with a focus on their ability to achieve complex goals that require enhanced reasoning, planning, and tool execution capabilities. The primary objectives of…

Artificial Intelligence · Computer Science 2024-04-18 Tula Masterman , Sandi Besen , Mason Sawtell , Alex Chao

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

Sixth-generation (6G) networks are increasingly envisioned as AI-native infrastructures integrating communication, sensing, and computing into a unified fabric. However, existing approaches remain largely optimization-centric, relying on…

Networking and Internet Architecture · Computer Science 2026-05-05 Mohamed Amine Ferrag , Abderrahmane Lakas , Merouane Debbah

One goal of AI (and AGI) is to identify and understand specific mechanisms and representations sufficient for general intelligence. Often, this work manifests in research focused on architectures and many cognitive architectures have been…

Artificial Intelligence · Computer Science 2025-06-17 Robert E. Wray , James R. Kirk , John E. Laird

The emergence of Large Language Models (LLMs) have fundamentally altered the way we interact with digital systems and have led to the pursuit of LLM powered AI agents to assist in daily workflows. LLMs, whilst powerful and capable of…

Computation and Language · Computer Science 2024-08-05 Prattyush Mangal , Carol Mak , Theo Kanakis , Timothy Donovan , Dave Braines , Edward Pyzer-Knapp

Recent advances in RAG have shifted toward an agentic paradigm, where LLMs interact with retrieval systems over multiple turns and iteratively refine queries based on intermediate results. At the same time, LLMs have demonstrated a strong…

Information Retrieval · Computer Science 2026-05-27 Yuqi Zeng , Qixiang Deng , Yulei Wan , Ruiquan Jiang , Xiaoqing Zheng , Xuanjing Huang

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

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

Intelligent agents stand out as a potential path toward artificial general intelligence (AGI). Thus, researchers have dedicated significant effort to diverse implementations for them. Benefiting from recent progress in large language models…

Artificial Intelligence · Computer Science 2024-01-09 Yuheng Cheng , Ceyao Zhang , Zhengwen Zhang , Xiangrui Meng , Sirui Hong , Wenhao Li , Zihao Wang , Zekai Wang , Feng Yin , Junhua Zhao , Xiuqiang He

The rise of multi-agent systems powered by large language models (LLMs) and specialized reasoning agents exposes fundamental limitations in today's data management architectures. Traditional databases and data fabrics were designed for…

Multiagent Systems · Computer Science 2025-12-11 Ioana Giurgiu , Michael E. Nidd

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

The increasing availability of large-scale datasets has fueled rapid progress across many scientific fields, creating unprecedented opportunities for research and discovery while posing significant analytical challenges. Recent advances in…

Artificial Intelligence · Computer Science 2025-12-01 Erzhuo Shao , Yifang Wang , Yifan Qian , Zhenyu Pan , Han Liu , Dashun Wang

In this paper, we propose a novel factored agent architecture designed to overcome the limitations of traditional single-agent systems in agentic AI. Our approach decomposes the agent into two specialized components: (1) a large language…

Artificial Intelligence · Computer Science 2025-04-03 Nicholas Roth , Christopher Hidey , Lucas Spangher , William F. Arnold , Chang Ye , Nick Masiewicki , Jinoo Baek , Peter Grabowski , Eugene Ie

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

The emergence of Large Language Models (LLMs) has reshaped agent systems. Unlike traditional rule-based agents with limited task scope, LLM-powered agents offer greater flexibility, cross-domain reasoning, and natural language interaction.…

Artificial Intelligence · Computer Science 2026-05-05 Guannan Liang , Qianqian Tong

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Artificial Intelligence (AI) is redefining the frontiers of scientific domains, ranging from drug discovery to meteorological modeling, yet its integration within industrial manufacturing remains nascent and fraught with operational…

Computational Engineering, Finance, and Science · Computer Science 2025-11-18 Yingjie Shi , Yiru Gong , Yiqun Su , Suya Xiong , Jiale Han , Runtian Miao

Agentic Artificial Intelligence (AI) represents a paradigm shift from reactive systems to proactive, autonomous decision making frameworks. Existing AI-based educational systems remain fragmented and lack multi-level integration across…

Multiagent Systems · Computer Science 2026-04-21 Arya Mary K J , Deepthy K Bhaskar , Sinu T S , Binu V P

Large language models (LLMs) are rapidly transforming knowledge work by improving the quality and efficiency of tasks such as writing, coding, and data analysis. However, their growing use in education has exposed a learning-performance…

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