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Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Biomolecules · Quantitative Biology 2025-07-23 Hao Tuo , Yan Li , Xuanning Hu , Haishi Zhao , Xueyan Liu , Bo Yang

The efficacy of AI agents in healthcare research is hindered by their reliance on static, predefined strategies. This creates a critical limitation: agents can become better tool-users but cannot learn to become better strategic planners, a…

Artificial Intelligence · Computer Science 2025-08-08 Huiya Zhao , Yinghao Zhu , Zixiang Wang , Yasha Wang , Junyi Gao , Liantao Ma

We present NetGent, an AI-agent framework for automating complex application workflows to generate realistic network traffic datasets. Developing generalizable ML models for networking requires data collection from network environments with…

Artificial Intelligence · Computer Science 2025-11-17 Jaber Daneshamooz , Eugene Vuong , Laasya Koduru , Sanjay Chandrasekaran , Arpit Gupta

Autonomous agents utilizing Large Language Models (LLMs) have demonstrated remarkable capabilities in isolated medical tasks like diagnosis and image analysis, but struggle with integrated clinical workflows that connect diagnostic…

Artificial Intelligence · Computer Science 2025-10-14 Hongjie Zheng , Zesheng Shi , Ping Yi

Retrieval-Augmented Generation (RAG) systems empower large language models (LLMs) with external knowledge, yet struggle with efficiency-accuracy trade-offs when scaling to large knowledge graphs. Existing approaches often rely on monolithic…

Artificial Intelligence · Computer Science 2025-11-06 Ruiyi Yang , Hao Xue , Imran Razzak , Shirui Pan , Hakim Hacid , Flora D. Salim

The advancement of artificial intelligence algorithms has expanded their application to several fields such as the biomedical domain. Artificial intelligence systems, including Large Language Models (LLMs), can be particularly advantageous…

Large language model (LLM)-based techniques have achieved notable progress in generating harnesses for program fuzzing. However, applying them to arbitrary functions (especially internal functions) \textit{at scale} remains challenging due…

Cryptography and Security · Computer Science 2025-12-12 Kang Yang , Yunhang Zhang , Zichuan Li , Guanhong Tao , Jun Xu , Xiaojing Liao

Focused Ultrasound Ablation Surgery (FUAS) has emerged as a promising non-invasive therapeutic modality, valued for its safety and precision. Nevertheless, its clinical implementation entails intricate tasks such as multimodal image…

Multiagent Systems · Computer Science 2026-03-31 Lina Zhao , Zihao Bian , Qingyue Chen , Yafang Li , Zhiyi Luo , Jiaxing Bai , Guangbo Li , Min He , Kezhi Li , Huaiyuan Yao , Zongjiu Zhang

Multi-agent workflows have become an effective strategy for tackling complicated tasks by decomposing them into multiple sub-tasks and assigning them to specialized agents. However, designing optimal workflows remains challenging due to the…

Human-Computer Interaction · Computer Science 2025-07-22 Pan Hao , Dongyeop Kang , Nicholas Hinds , Qianwen Wang

We introduce CFDagent, a zero-shot, multi-agent system that enables fully autonomous computational fluid dynamics (CFD) simulations from natural language prompts. CFDagent integrates three specialized LLM-driven agents: (i) the…

Fluid Dynamics · Physics 2025-11-13 Zhaoyue Xu , Long Wang , Chunyu Wang , Yixin Chen , Qingyong Luo , Hua-Dong Yao , Shizhao Wang , Guowei He

We present STAgent, an agentic large language model tailored for spatio-temporal understanding, designed to solve complex tasks such as constrained point-of-interest discovery and itinerary planning. STAgent is a specialized model capable…

Software debugging is a time-consuming endeavor involving a series of steps, such as fault localization and patch generation, each requiring thorough analysis and a deep understanding of the underlying logic. While large language models…

Software Engineering · Computer Science 2025-11-19 Cheryl Lee , Chunqiu Steven Xia , Longji Yang , Jen-tse Huang , Zhouruixin Zhu , Lingming Zhang , Michael R. Lyu

Power system simulation workflows remain expert-intensive. Engineers must translate study intents into code or API calls, execute analyses, and interpret outputs. To automate this workflow, this paper presents PFAgent, a tractable and…

Systems and Control · Electrical Eng. & Systems 2026-04-14 Buxin She , Brian Chen , Luanzheng Guo , Fangxing Li

Medical image segmentation is evolving from task-specific models toward generalizable frameworks. Recent research leverages Multi-modal Large Language Models (MLLMs) as autonomous agents, employing reinforcement learning with verifiable…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Shengyuan Liu , Liuxin Bao , Qi Yang , Wanting Geng , Boyun Zheng , Chenxin Li , Wenting Chen , Houwen Peng , Yixuan Yuan

Multi-agent systems, where multiple agents (generative AI models + tools) collaborate, are emerging as an effective pattern for solving long-running, complex tasks in numerous domains. However, specifying their parameters (such as models,…

Software Engineering · Computer Science 2024-08-29 Victor Dibia , Jingya Chen , Gagan Bansal , Suff Syed , Adam Fourney , Erkang Zhu , Chi Wang , Saleema Amershi

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

Artificial Intelligence · Computer Science 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

Mindfulness meditation is a widely accessible and evidence-based method for supporting mental health. Despite the proliferation of mindfulness meditation apps, sustaining user engagement remains a persistent challenge. Personalizing the…

Large Language Models (LLMs) have demonstrated remarkable capabilities in solving various tasks, yet they often struggle with comprehensively addressing complex and vague problems. Existing approaches, including multi-agent LLM systems,…

Multiagent Systems · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks when equipped with external tools. However, current frameworks predominantly rely on sequential processing, leading to inefficient execution…

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter