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As the reasoning capabilities of Large Language Models (LLMs) continue to advance, LLM-based agent systems offer advantages in flexibility and interpretability over traditional systems, garnering increasing attention. However, despite the…

Artificial Intelligence · Computer Science 2025-08-05 Zexin Wang , Jingjing Li , Quan Zhou , Haotian Si , Yuanhao Liu , Jianhui Li , Gaogang Xie , Fei Sun , Dan Pei , Changhua Pei

AI agents are now running real transactions, workflows, and sub-agent chains across organizational boundaries without continuous human supervision. This creates a problem no current infrastructure is equipped to solve: how do you identify,…

Artificial Intelligence · Computer Science 2026-04-28 Takumi Otsuka , Kentaroh Toyoda , Alex Leung

Recent advancements on Large Language Models (LLMs) enable AI Agents to automatically generate and execute multi-step plans to solve complex tasks. However, since LLM's content generation process is hardly controllable, current LLM-based…

Machine Learning · Computer Science 2024-08-13 Zelong Li , Wenyue Hua , Hao Wang , He Zhu , Yongfeng Zhang

As AI continues to advance, there is a growing demand for systems that go beyond language-based assistance and move toward intelligent agents capable of performing real-world actions. This evolution requires the transition from traditional…

With the rise of large language models (LLMs), LLM agents capable of autonomous reasoning, planning, and executing complex tasks have become a frontier in artificial intelligence. However, how to translate the research on general agents…

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents…

Artificial Intelligence · Computer Science 2023-12-19 Zengqing Wu , Run Peng , Xu Han , Shuyuan Zheng , Yixin Zhang , Chuan Xiao

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

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs…

Software Engineering · Computer Science 2025-12-04 Junwei Liu , Kaixin Wang , Yixuan Chen , Xin Peng , Zhenpeng Chen , Lingming Zhang , Yiling Lou

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

Recent advances in large language models (LLMs) have substantially enhanced automated code generation across a wide range of programming languages. Nonetheless, verifying the correctness and executability of LLM-generated code remains a…

Programming Languages · Computer Science 2026-01-14 Xinkui Zhao , Yifan Zhang , Zhengyi Zhou , Yueshen Xu

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

Verifiers have been demonstrated to enhance LLM reasoning via test-time scaling (TTS). Yet, they face significant challenges in complex domains. Error propagation from incorrect intermediate reasoning can lead to false positives for…

In the midst of the growing integration of Artificial Intelligence (AI) into various aspects of our lives, agents are experiencing a resurgence. These autonomous programs that act on behalf of humans are neither new nor exclusive to the…

Artificial Intelligence · Computer Science 2024-12-24 Chirag Shah , Ryen W. White

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

Reinforcement Learning (RL) has traditionally focused on training specialized agents to optimize predefined reward functions within narrowly defined environments. However, the advent of powerful Large Language Models (LLMs) and increasingly…

Artificial Intelligence · Computer Science 2026-05-18 Fangming Cui , Ruixiao Zhu , Cheng Fang , Sunan Li , Jiahong Li

In computational biophysics, where molecular data is expanding rapidly and system complexity is increasing exponentially, large language models (LLMs) and agent-based systems are fundamentally reshaping the field. This perspective article…

Large Language Model (LLM)-based agents have emerged as a new paradigm that extends LLMs' capabilities beyond text generation to dynamic interaction with external environments. By integrating reasoning with perception, memory, and tool use,…

Artificial Intelligence · Computer Science 2025-09-23 Minxing Zhang , Yi Yang , Roy Xie , Bhuwan Dhingra , Shuyan Zhou , Jian Pei

A fundamental limitation of current LLM-based AI agents is their inability to build differentiated trust among each other at the onset of an agent-to-agent dialogue. However, autonomous and interoperable trust establishment becomes…

Cryptography and Security · Computer Science 2026-05-28 Sandro Rodriguez Garzon , Awid Vaziry , Enis Mert Kuzu , Dennis Enrique Gehrmann , Buse Varkan , Alexander Gaballa , Axel Küpper

As large language models (LLMs) grow in capability and autonomy, evaluating their outputs-especially in open-ended and complex tasks-has become a critical bottleneck. A new paradigm is emerging: using AI agents as the evaluators themselves.…

Artificial Intelligence · Computer Science 2025-08-06 Fangyi Yu