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The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

Materials Science · Physics 2026-04-08 Fengxu Yang , Jack D. Evans

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints,…

Machine Learning · Computer Science 2025-07-21 Xiaowen Ma , Chenyang Lin , Yao Zhang , Volker Tresp , Yunpu Ma

This paper introduces a methodology based on agentic workflows for economic research that leverages Large Language Models (LLMs) and multimodal AI to enhance research efficiency and reproducibility. Our approach features autonomous and…

General Economics · Economics 2025-04-15 Herbert Dawid , Philipp Harting , Hankui Wang , Zhongli Wang , Jiachen Yi

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

Software testing has progressed toward intelligent automation, yet current AI-based test generators still suffer from static, single-shot outputs that frequently produce invalid, redundant, or non-executable tests due to the lack of…

Software Engineering · Computer Science 2026-01-07 Saba Naqvi , Mohammad Baqar , Nawaz Ali Mohammad

The escalating complexity of sixth-generation (6G) networks demands unprecedented levels of autonomy beyond the capabilities of traditional optimization-based and current AI-based resource management approaches. While agentic AI has emerged…

Networking and Internet Architecture · Computer Science 2026-04-22 Yunhao Hu , Xinchen Lyu , Chenshan Ren , Keda Chen , Qimei Cui , Xiaofeng Tao

Artificial intelligence has shown promise in medical imaging, yet most existing systems lack flexibility, interpretability, and adaptability - challenges especially pronounced in ophthalmology, where diverse imaging modalities are…

Security Operations Centers (SOCs) increasingly encounter difficulties in correlating heterogeneous alerts, interpreting multi-stage attack progressions, and selecting safe and effective response actions. This study introduces AgentSOC, a…

Cryptography and Security · Computer Science 2026-04-23 Joyjit Roy , Samaresh Kumar Singh

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

We instruct an AI agent to construct two separate agentic AI platforms: one for autonomous training of predictive ML models for human-human and virus-human PPI, and the other for inducing explicit general rules governing human-human and…

Artificial Intelligence · Computer Science 2026-04-28 Hung N. Do , Jessica Z. Kubicek-Sutherland , Oscar A. Negrete , S. Gnanakaran

Agentic AI prototypes are being deployed across domains with increasing speed, yet no methodology for their structured design, governance, and prospective evaluation has been established. Existing AI documentation practices and guidelines…

Software Engineering · Computer Science 2026-03-02 Sebastian Lobentanzer

Traditional control system design, reliant on expert knowledge and precise models, struggles with complex, nonlinear, or uncertain dynamics. This paper introduces AgenticControl, a novel multi-agent framework that automates controller…

Systems and Control · Electrical Eng. & Systems 2025-06-25 Mohammad Narimani , Seyyed Ali Emami

Optics is foundational to research in many areas of science and engineering, including nanophotonics, quantum information, materials science, biomedical imaging, and metrology. However, the design, assembly, and alignment of optical…

AI agents powered by large language models are increasingly capable of autonomously completing complex, multi-step tasks using external tools. Yet, they still fall short of human-level performance in most domains including computer use,…

Large language model (LLM) agents increasingly rely on external tools and retrieval systems to autonomously complete complex tasks. However, this design exposes agents to indirect prompt injection (IPI), where attacker-controlled context…

Cryptography and Security · Computer Science 2026-02-27 Tian Zhang , Yiwei Xu , Juan Wang , Keyan Guo , Xiaoyang Xu , Bowen Xiao , Quanlong Guan , Jinlin Fan , Jiawei Liu , Zhiquan Liu , Hongxin Hu

Artificial intelligence (AI) is influencing heterogeneous catalysis research by accelerating simulations and materials discovery. A key frontier is integrating AI with multiscale models and multimodal experiments to address the…

Chemical Physics · Physics 2025-10-23 Andrew J. Medford , Todd N. Whittaker , Bjarne Kreitz , David W. Flaherty , John R. Kitchin

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

This letter addresses the energy efficiency issue in unmanned aerial vehicle (UAV)-assisted autonomous systems. We propose a framework for an agentic artificial intelligence (AI)-powered low-altitude semantic wireless network, that…

Information Theory · Computer Science 2025-09-25 Zhouxiang Zhao , Ran Yi , Yihan Cang , Boyang Jin , Zhaohui Yang , Mingzhe Chen , Chongwen Huang , Zhaoyang Zhang

Agentic Artificial Intelligence (AI) can autonomously pursue long-term goals, make decisions, and execute complex, multi-turn workflows. Unlike traditional generative AI, which responds reactively to prompts, agentic AI proactively…

Computers and Society · Computer Science 2025-02-18 Anirban Mukherjee , Hannah Hanwen Chang

AI agents -- systems that combine foundation models with reasoning, planning, memory, and tool use -- are rapidly becoming a practical interface between natural-language intent and real-world computation. This survey synthesizes the…

Artificial Intelligence · Computer Science 2026-01-06 Bin Xu