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The emergence of large language models has catalyzed two distinct yet interconnected paradigms in artificial intelligence: standalone AI Agents and collaborative Agentic AI ecosystems. This comprehensive study establishes a definitive…

人工智能 · 计算机科学 2025-06-17 Prashik Buddhaghosh Bansod

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…

计算与语言 · 计算机科学 2025-08-25 Weiwei Sun , Shengyu Feng , Shanda Li , Yiming Yang

Effective prompt design is essential for improving the planning capabilities of large language model (LLM)-driven agents. However, existing structured prompting strategies are typically limited to single-agent, plan-only settings, and often…

人工智能 · 计算机科学 2025-07-08 Bruce Yang , Xinfeng He , Huan Gao , Yifan Cao , Xiaofan Li , David Hsu

We present an agent-driven approach to the construction of parameter inference pipelines for scientific data analysis. Our method leverages a multi-agent system, Cmbagent (the analysis system of the AI scientist Denario), in which…

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

人工智能 · 计算机科学 2026-03-06 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Zhangze Chen , Shimin Di , Shaowu Pan

This paper introduces BioAgent Bench, a benchmark dataset and an evaluation suite designed for measuring the performance and robustness of AI agents in common bioinformatics tasks. The benchmark contains curated end-to-end tasks (e.g.,…

人工智能 · 计算机科学 2026-05-08 Dionizije Fa , Marko Culjak , Bruno Pandza , Mateo Cupic

Large Language Models (LLMs) have shown impressive capabilities in downstream software engineering tasks such as Automated Program Repair (APR). In particular, there has been a lot of research on repository-level issue-resolution benchmarks…

软件工程 · 计算机科学 2025-06-23 Anvith Pabba , Alex Mathai , Anindya Chakraborty , Baishakhi Ray

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

计算与语言 · 计算机科学 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Agent-based modeling is indispensable for studying complex systems across many domains. However, existing simulation platforms exhibit two major issues: performance and modularity. Low performance prevents simulations with a large number of…

分布式、并行与集群计算 · 计算机科学 2025-03-17 Lukas Johannes Breitwieser

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…

流体动力学 · 物理学 2025-11-13 Zhaoyue Xu , Long Wang , Chunyu Wang , Yixin Chen , Qingyong Luo , Hua-Dong Yao , Shizhao Wang , Guowei He

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

The increasing complexity of modern chemical processes, coupled with workforce shortages and intricate fault scenarios, demands novel automation paradigms that blend symbolic reasoning with adaptive control. In this work, we introduce a…

人工智能 · 计算机科学 2025-07-11 Javal Vyas , Mehmet Mercangoz

While Large Language Models (LLMs) have evolved into tool-using agents, they remain brittle in long-horizon interactions. Unlike mathematical reasoning where errors are often rectifiable via backtracking, tool-use failures frequently induce…

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent…

人工智能 · 计算机科学 2025-04-16 Qinyu Ma , Yuhao Zhou , Jianfeng Li

While passive agents merely follow instructions, proactive agents align with higher-level objectives, such as assistance and safety by continuously monitoring the environment to determine when and how to act. However, developing proactive…

The advent of large language models (LLMs) such as ChatGPT, PaLM, and GPT-4 has catalyzed remarkable advances in natural language processing, demonstrating human-like language fluency and reasoning capacities. This position paper introduces…

计算与语言 · 计算机科学 2024-02-07 Zhixuan Chu , Yan Wang , Feng Zhu , Lu Yu , Longfei Li , Jinjie Gu

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…

人工智能 · 计算机科学 2023-11-27 Haoyuan Li , Hao Jiang , Tianke Zhang , Zhelun Yu , Aoxiong Yin , Hao Cheng , Siming Fu , Yuhao Zhang , Wanggui He

Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved…

软件工程 · 计算机科学 2026-03-27 Abdullah Bahamdan , Emma Pajak , John D. Hedengren , Antonio del Rio Chanona

Topology optimization can generate efficient structures, but designers often must manually translate qualitative intent, such as desired visual style, product experience, or manufacturability into solver settings that are not directly tied…

人工智能 · 计算机科学 2026-05-22 Isabella A. Stewart , Hongrui Chen , Faez Ahmed

The realization of autonomous scientific experimentation is currently limited by LLMs' struggle to grasp the strict procedural logic and accuracy required by biological protocols. To address this fundamental challenge, we present…

计算与语言 · 计算机科学 2026-01-22 Yuyang Liu , Liuzhenghao Lv , Xiancheng Zhang , Jingya Wang Li Yuan , Yonghong Tian