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Advancements in Large Language Models (LLMs) are revolutionizing the development of autonomous agentic systems by enabling dynamic, context-aware task decomposition and automated tool selection. These sophisticated systems possess…

Artificial Intelligence · Computer Science 2024-10-31 Adrian Garret Gabriel , Alaa Alameer Ahmad , Shankar Kumar Jeyakumar

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

LLM-based agents represent a paradigm shift in AI, enabling autonomous systems to plan, reason, and use tools while interacting with dynamic environments. This paper provides the first comprehensive survey of evaluation methods for these…

Artificial Intelligence · Computer Science 2026-04-24 Asaf Yehudai , Lilach Eden , Alan Li , Guy Uziel , Yilun Zhao , Roy Bar-Haim , Arman Cohan , Michal Shmueli-Scheuer

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Parameter identification for mechanistic Ordinary Differential Equation (ODE) models underpins prediction and control in several applications, yet remains a manual and labor-intensive process: datasets are noisy and partial, models can be…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Saakaar Bhatnagar

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive…

Artificial Intelligence · Computer Science 2026-01-21 Arunkumar V , Gangadharan G. R. , Rajkumar Buyya

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Artificial Intelligence · Computer Science 2025-09-04 Yuxuan Huang , Yihang Chen , Haozheng Zhang , Kang Li , Huichi Zhou , Meng Fang , Linyi Yang , Xiaoguang Li , Lifeng Shang , Songcen Xu , Jianye Hao , Kun Shao , Jun Wang

Reasoning is a fundamental cognitive process that enables logical inference, problem-solving, and decision-making. With the rapid advancement of large language models (LLMs), reasoning has emerged as a key capability that distinguishes…

The rapid evolution of agentic AI marks a new phase in artificial intelligence, where Large Language Models (LLMs) no longer merely respond but act, reason, and adapt. This survey traces the paradigm shift in building agentic AI: from…

Artificial Intelligence · Computer Science 2025-10-28 Jitao Sang , Jinlin Xiao , Jiarun Han , Jilin Chen , Xiaoyi Chen , Shuyu Wei , Yongjie Sun , Yuhang Wang

Building agents, systems that perceive and act upon their environment with a degree of autonomy, has long been a focus of AI research. This pursuit has recently become vastly more practical with the emergence of large language models (LLMs)…

Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics remains inadequate. While current models show competence in mathematical reasoning and code generation, we identify…

Computation and Language · Computer Science 2026-03-13 Sirui Lu , Zhijing Jin , Terry Jingchen Zhang , Pavel Kos , J. Ignacio Cirac , Bernhard Schölkopf

AI agents execute complex multi-step processes, but current evaluation falls short: outcome metrics report success or failure without explaining why, and process-level approaches struggle to connect failure types to their precise locations…

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike…

Artificial Intelligence · Computer Science 2025-08-05 David Pearl , Matthew Murphy , James Intriligator

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

AI agents are autonomous systems designed to perceive, reason, and act within dynamic environments. With the rapid advancements in generative AI (GenAI), large language models (LLMs) and multimodal large language models (MLLMs) have…

Artificial Intelligence · Computer Science 2025-07-03 Yinwang Ren , Yangyang Liu , Tang Ji , Xun Xu

Contemporary machine learning paradigm excels in statistical data analysis, solving problems that classical AI couldn't. However, it faces key limitations, such as a lack of integration with planning, incomprehensible internal structure,…

Artificial Intelligence · Computer Science 2025-01-29 Zeki Doruk Erden , Boi Faltings

Large language model-based AI agents are now able to autonomously execute substantial portions of a high energy physics (HEP) analysis pipeline with minimal expert-curated input. Given access to a HEP dataset, an execution framework, and a…

High Energy Physics - Experiment · Physics 2026-04-02 Eric A. Moreno , Samuel Bright-Thonney , Andrzej Novak , Dolores Garcia , Philip Harris

In response to the urban heat island effects and building energy demands in Singapore, this study proposes an agentic AI-enabled reasoning framework that integrates large language models (LLMs) with lightweight physics-based models. Through…

Multiagent Systems · Computer Science 2026-04-24 Po-Yen Lai , Xinyu Yang , Derrick Low , Huizhe Liu , Jian Cheng Wong