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Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

Large Language Models (LLMs) increasingly rely on agentic capabilities-iterative retrieval, tool use, and decision-making-to overcome the limits of static, parametric knowledge. Yet existing agentic frameworks treat external information as…

Computation and Language · Computer Science 2026-04-24 Yuanfu Sun , Kang Li , Dongzhe Fan , Jiajin Liu , Qiaoyu Tan

The integration of Large Language Models (LLMs) into autonomous driving systems demonstrates strong common sense and reasoning abilities, effectively addressing the pitfalls of purely data-driven methods. Current LLM-based agents require…

Robotics · Computer Science 2024-10-22 Sihao Wu , Jiaxu Liu , Xiangyu Yin , Guangliang Cheng , Xingyu Zhao , Meng Fang , Xinping Yi , Xiaowei Huang

Reinforcement Learning (RL) is a potent tool for sequential decision-making and has achieved performance surpassing human capabilities across many challenging real-world tasks. As the extension of RL in the multi-agent system domain,…

Artificial Intelligence · Computer Science 2024-08-20 Ruiqi Zhang , Jing Hou , Florian Walter , Shangding Gu , Jiayi Guan , Florian Röhrbein , Yali Du , Panpan Cai , Guang Chen , Alois Knoll

Multi-agent large language model simulations have the potential to model complex human behaviors and interactions. If the mechanics are set up properly, unanticipated and valuable social dynamics can surface. However, it is challenging to…

Multiagent Systems · Computer Science 2026-04-22 Jenny Ma , Riya Sahni , Karthik Sreedhar , Lydia B. Chilton

Large Language Model (LLM)-based UI agents show great promise for UI automation but often hallucinate in long-horizon tasks due to their lack of understanding of the global UI transition structure. To address this, we introduce AGENT+P, a…

Multiagent Systems · Computer Science 2026-01-09 Shang Ma , Xusheng Xiao , Yanfang Ye

As large language models (LLMs) transition from static tools to fully agentic systems, their potential for transforming social science research has become increasingly evident. This paper introduces a structured framework for understanding…

Multiagent Systems · Computer Science 2026-05-19 Jennifer Haase , Sebastian Pokutta

With the urbanization process, an increasing number of sensors are being deployed in transportation systems, leading to an explosion of big data. To harness the power of this vast transportation data, various machine learning (ML) and…

Artificial Intelligence · Computer Science 2025-03-05 Fengze Yang , Xiaoyue Cathy Liu , Lingjiu Lu , Bingzhang Wang , Chenxi Dylan Liu

Autonomous Vehicles (AVs) are poised to revolutionize emergency services by enabling faster, safer, and more efficient responses. This transformation is driven by advances in Artificial Intelligence (AI), particularly Reinforcement Learning…

Artificial Intelligence · Computer Science 2026-02-23 Yousef Emami , Radha Reddy , Azadeh Pourkabirian , Miguel Gutierrez Gaitan

AI agents, empowered by Large Language Models (LLMs) and communication protocols such as MCP and A2A, have rapidly evolved from simple chatbots to autonomous entities capable of executing complex, multi-step tasks, demonstrating great…

Machine Learning · Computer Science 2025-05-26 Erhu Feng , Wenbo Zhou , Zibin Liu , Le Chen , Yunpeng Dong , Cheng Zhang , Yisheng Zhao , Dong Du , Zhichao Hua , Yubin Xia , Haibo Chen

Large Language Model (LLM)-based agents increasingly interact, collaborate, and delegate tasks to one another autonomously with minimal human interaction. Industry guidelines for agentic system governance emphasize the need for users to…

Cryptography and Security · Computer Science 2025-09-01 Georgios Syros , Anshuman Suri , Jacob Ginesin , Cristina Nita-Rotaru , Alina Oprea

Large Language Models (LLMs) are evolving into autonomous agents, yet current "frameless" development--relying on ambiguous natural language without engineering blueprints--leads to critical risks such as scope creep and open-loop failures.…

Artificial Intelligence · Computer Science 2026-02-24 Chanjin Park

Existing multi-agent video generation systems use LLM agents to orchestrate neural video generators, producing visually impressive but semantically unreliable outputs with no ground truth annotations. We present an agentic system that…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Nicolae Cudlenco , Mihai Masala , Marius Leordeanu

Autonomous multi-agent systems such as hospital robots and package delivery drones often operate in highly uncertain environments and are expected to achieve complex temporal task objectives while ensuring safety. While learning-based…

Multiagent Systems · Computer Science 2024-11-19 Sheryl Paul , Anand Balakrishnan , Xin Qin , Jyotirmoy V. Deshmukh

Auto-GPT is an autonomous agent that leverages recent advancements in adapting Large Language Models (LLMs) for decision-making tasks. While there has been a growing interest in Auto-GPT stypled agents, questions remain regarding the…

Artificial Intelligence · Computer Science 2023-06-06 Hui Yang , Sifu Yue , Yunzhong He

The emergence of autonomous Large Language Model (LLM) agents capable of tool usage has introduced new safety risks that go beyond traditional conversational misuse. These agents, empowered to execute external functions, are vulnerable to…

Artificial Intelligence · Computer Science 2025-07-14 Zeyang Sha , Hanling Tian , Zhuoer Xu , Shiwen Cui , Changhua Meng , Weiqiang Wang

Large Language Models (LLMs) remain vulnerable to jailbreaking attacks where adversarial prompts elicit harmful outputs. Yet most evaluations focus on single-turn interactions while real-world attacks unfold through adaptive multi-turn…

Computation and Language · Computer Science 2025-12-23 Aashray Reddy , Andrew Zagula , Nicholas Saban

As autonomous agents (e.g., OpenClaw) increasingly operate with deep system-level privileges to execute complex tasks, they introduce severe, unmitigated security risks. Current vulnerability analyses overwhelmingly focus on single-turn,…

Cryptography and Security · Computer Science 2026-05-22 Jianan Ma , Xiaohu Du , Ruixiao Lin , Yaoxiang Bian , Jialuo Chen , Jingyi Wang , Xiaofang Yang , Shiwen Cui , Changhua Meng , Xinhao Deng , Zhen Wang

This paper presents a novel approach to Autonomous Vehicle (AV) control through the application of active inference, a theory derived from neuroscience that conceptualizes the brain as a predictive machine. Traditional autonomous driving…

Robotics · Computer Science 2025-03-17 Elahe Delavari , John Moore , Junho Hong , Jaerock Kwon

This work presents a large language model (LLM)-based agent OpenFOAMGPT tailored for OpenFOAM-centric computational fluid dynamics (CFD) simulations, leveraging two foundation models from OpenAI: the GPT-4o and a chain-of-thought…

Fluid Dynamics · Physics 2025-12-09 Sandeep Pandey , Ran Xu , Wenkang Wang , Xu Chu