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Multi-agent systems achieve state-of-the-art outcomes through peer collaboration. However, when an agent in the pipeline silently drops a constraint, the system's final output may look correct even though the reasoning chain was quietly…

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

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

Computation and Language · Computer Science 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Tool learning empowers large language models (LLMs) as agents to use external tools and extend their utility. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating execution…

Computation and Language · Computer Science 2024-06-25 Zhengliang Shi , Shen Gao , Xiuyi Chen , Yue Feng , Lingyong Yan , Haibo Shi , Dawei Yin , Pengjie Ren , Suzan Verberne , Zhaochun Ren

The emergence of agentic recommender systems powered by Large Language Models (LLMs) represents a paradigm shift in personalized recommendations, leveraging LLMs' advanced reasoning and role-playing capabilities to enable autonomous,…

Information Retrieval · Computer Science 2025-05-29 Yu Shang , Peijie Liu , Yuwei Yan , Zijing Wu , Leheng Sheng , Yuanqing Yu , Chumeng Jiang , An Zhang , Fengli Xu , Yu Wang , Min Zhang , Yong Li

We introduce an autonomous multiagent framework for mechanistic interpretability that automates both explaining and finding internal features in large language models. The system runs two coupled loops: (1) explanation refinement, where an…

Computation and Language · Computer Science 2026-05-05 Arnau Marin-Llobet , Javier Ferrando

Large Language Models (LLMs) often generate substantively relevant content but fail to adhere to formal constraints, leading to outputs that are conceptually correct but procedurally flawed. Traditional prompt refinement approaches focus on…

Artificial Intelligence · Computer Science 2026-01-08 Alberto Purpura , Li Wang , Sahil Badyal , Eugenio Beaufrand , Adam Faulkner

Recently, large language models (LLMs) have evolved into interactive agents, proficient in planning, tool use, and task execution across a wide variety of tasks. However, without specific agent tuning, open-source models like LLaMA…

Computation and Language · Computer Science 2024-04-09 Chunyuan Deng , Xiangru Tang , Yilun Zhao , Hanming Wang , Haoran Wang , Wangchunshu Zhou , Arman Cohan , Mark Gerstein

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Large Language Models (LLMs) are increasingly capable but often require significant guidance or extensive interaction history to perform effectively in complex, interactive environments. Existing methods may struggle with adapting to new…

Machine Learning · Computer Science 2025-06-12 Samuel Holt , Max Ruiz Luyten , Thomas Pouplin , Mihaela van der Schaar

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

The evaluation of large language models (LLMs) has predominantly relied on static datasets, which offer limited scalability and fail to capture the evolving reasoning capabilities of recent models. To overcome these limitations, we propose…

Computation and Language · Computer Science 2026-03-02 Seungdong Yoa , Sanghyu Yoon , Suhee Yoon , Dongmin Kim , Ye Seul Sim , Junhyun Lee , Woohyung Lim

The proliferation of agent frameworks has led to fragmentation in how agents are defined, executed, and evaluated. Existing systems differ in their abstractions, data flow semantics, and tool integrations, making it difficult to share or…

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

Large language models (LLMs) have demonstrated strong coding capabilities but still struggle to solve competitive programming problems correctly in a single attempt. Execution-based re-ranking offers a promising test-time scaling strategy,…

Computation and Language · Computer Science 2026-02-05 Zeyao Ma , Jing Zhang , Xiaokang Zhang , Jiaxi Yang , Zongmeng Zhang , Jiajun Zhang , Yuheng Jing , Lei Zhang , Hao Zheng , Wenting Zhao , Junyang Lin , Binyuan Hui

Agent communication protocols are becoming critical infrastructure for large language model (LLM) systems that must use tools, coordinate with other agents, and operate across heterogeneous environments. This work presents a human-inspired…

Networking and Internet Architecture · Computer Science 2026-04-14 Dun Yuan , Fuyuan Lyu , Ye Yuan , Weixu Zhang , Bowei He , Jiayi Geng , Linfeng Du , Zipeng Sun , Yankai Chen , Changjiang Han , Jikun Kang , Xi Chen , Haolun Wu , Xue Liu

Large language models (LLMs) are rapidly evolving from passive engines of text generation into agentic entities that can plan, remember, invoke external tools, and co-operate with one another. This perspective paper investigates how such…

Information Retrieval · Computer Science 2025-07-11 Reza Yousefi Maragheh , Yashar Deldjoo

The potential of Large Language Model (LLM) as agents has been widely acknowledged recently. Thus, there is an urgent need to quantitatively \textit{evaluate LLMs as agents} on challenging tasks in interactive environments. We present…

The development of AI agents based on large, open-domain language models (LLMs) has paved the way for the development of general-purpose AI assistants that can support human in tasks such as writing, coding, graphic design, and scientific…

Artificial Intelligence · Computer Science 2025-06-03 Mustafa Mert Çelikok , Saptarashmi Bandyopadhyay , Robert Loftin