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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

Large Language Model (LLM) Agents exhibit inherent reasoning abilities through the collaboration of multiple tools. However, during agent inference, existing methods often suffer from (i) locally myopic generation, due to the absence of…

Artificial Intelligence · Computer Science 2026-01-15 Jian Zhang , Zhiyuan Wang , Zhangqi Wang , Yu He , Haoran Luo , li yuan , Lingling Zhang , Rui Mao , Qika Lin , Jun Liu

Large language model (LLM) agents are increasingly deployed in structured biomedical data environments, yet they often produce fluent but overconfident outputs when reasoning over complex multi-table data. We introduce an uncertainty-aware…

We study what actually works and what doesn't for training large language models as agents via multi-turn reinforcement learning. Despite rapid progress, existing frameworks and definitions are fragmented, and there is no systematic…

Machine Learning · Computer Science 2025-12-09 Ruiyi Wang , Prithviraj Ammanabrolu

Practical deployment of multi-agent systems (MAS) demands strong performance at test time, motivating methods that guide search during inference and selectively spend compute to improve quality. We present the Multi-Agent System Process…

Multiagent Systems · Computer Science 2026-02-16 Milad Yazdani , Mahdi Mostajabdaveh , Zirui Zhou , Ying Xiong

In recent years, Large Language Models (LLMs) have shown great abilities in various tasks, including question answering, arithmetic problem solving, and poem writing, among others. Although research on LLM-as-an-agent has shown that LLM can…

Multiagent Systems · Computer Science 2024-05-21 Chuanneng Sun , Songjun Huang , Dario Pompili

Large Language Model-based multi-agent systems (MAS) have shown remarkable progress in solving complex tasks through collaborative reasoning and inter-agent critique. However, existing approaches typically treat each task in isolation,…

Computation and Language · Computer Science 2025-05-30 Yilong Li , Chen Qian , Yu Xia , Ruijie Shi , Yufan Dang , Zihao Xie , Ziming You , Weize Chen , Cheng Yang , Weichuan Liu , Ye Tian , Xuantang Xiong , Lei Han , Zhiyuan Liu , Maosong Sun

This paper proposes a group deliberation oriented multi-agent conversational model to address the limitations of single large language models in complex reasoning tasks. The model adopts a three-level role division architecture consisting…

Artificial Intelligence · Computer Science 2026-01-01 Zheyu Shi , Dong Qiu , Shanlong Yu

A large amount of work has been done in Multi-Agent Systems (MAS) for modeling and solving problems with multiple interacting agents. However, most LLMs are pretrained independently and not specifically optimized for coordination. Existing…

Artificial Intelligence · Computer Science 2025-12-10 Shuo Liu , Tianle Chen , Zeyu Liang , Xueguang Lyu , Christopher Amato

Existing reinforcement learning strategies based on outcome supervision have proven effective in enhancing the performance of large language models(LLMs) for code generation. While reinforcement learning based on process supervision has…

Software Engineering · Computer Science 2025-02-05 Yufan Ye , Ting Zhang , Wenbin Jiang , Hua Huang

Complex clinical decision making often fails not because a model lacks facts, but because it cannot reliably select and apply the right procedural knowledge and the right prior example at the right reasoning step. We frame clinical question…

Information Retrieval · Computer Science 2026-03-03 Junda Wang , Zonghai Tao , Hansi Zeng , Zhichao Yang , Hamed Zamani , Hong Yu

Large Language Model based multi-agent systems (MAS) excel at collaborative problem solving but remain brittle to cascading errors: a single faulty step can propagate across agents and disrupt the trajectory. In this paper, we present MASC,…

Explaining multi-agent systems (MAS) is urgent as these systems become increasingly prevalent in various applications. Previous work has proveided explanations for the actions or states of agents, yet falls short in understanding the…

Artificial Intelligence · Computer Science 2025-07-18 Jianming Chen , Yawen Wang , Junjie Wang , Xiaofei Xie , jun Hu , Qing Wang , Fanjiang Xu

Multi-agent systems (MAS) decompose complex tasks and delegate subtasks to different large language model (LLM) agents and tools. Prior studies have reported the superior accuracy performance of MAS across diverse domains, enabled by…

Multiagent Systems · Computer Science 2025-05-27 Mingyan Gao , Yanzi Li , Banruo Liu , Yifan Yu , Phillip Wang , Ching-Yu Lin , Fan Lai

Large language models (LLMs) are being widely applied across various fields, but as tasks become more complex, evaluating their responses is increasingly challenging. Compared to human evaluators, the use of LLMs to support performance…

Artificial Intelligence · Computer Science 2025-04-25 Yuran Li , Jama Hussein Mohamud , Chongren Sun , Di Wu , Benoit Boulet

Large Language Model (LLM)-based agents demonstrate advanced reasoning capabilities, yet practical constraints frequently limit outputs to single responses, leaving significant performance potential unrealized. This paper introduces MARINE…

Multiagent Systems · Computer Science 2025-12-10 Hongwei Zhang , Ji Lu , Yongsheng Du , Yanqin Gao , Lingjun Huang , Baoli Wang , Fang Tan , Peng Zou

Test-time scaling has become an effective paradigm for improving the reasoning ability of large language models by allocating additional computation during inference. Recent structured approaches have further advanced this paradigm by…

Artificial Intelligence · Computer Science 2026-05-20 George Wu , Nan Jing , Qing Yi , Chuan Hao , Ming Yang , Feng Chang , Yuan Wei , Jian Yang , Ran Tao , Bryan Dai

We envision a continuous collaborative learning system where groups of LLM agents work together to solve reasoning problems, drawing on memory they collectively build to improve performance as they gain experience. This work establishes the…

Artificial Intelligence · Computer Science 2025-03-11 Julie Michelman , Nasrin Baratalipour , Matthew Abueg

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt…

Artificial Intelligence · Computer Science 2026-03-02 Wenliang Li , Rui Yan , Xu Zhang , Li Chen , Hongji Zhu , Jing Zhao , Junjun Li , Mengru Li , Wei Cao , Zihang Jiang , Wei Wei , Kun Zhang , Shaohua Kevin Zhou

Large language models (LLMs) incorporated with Retrieval-Augmented Generation (RAG) have demonstrated powerful capabilities in generating counterspeech against misinformation. However, current studies rely on limited evidence and offer less…

Computation and Language · Computer Science 2025-09-16 Anirban Saha Anik , Xiaoying Song , Elliott Wang , Bryan Wang , Bengisu Yarimbas , Lingzi Hong