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Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Here, we introduce ChemBOMAS: a large language model…

Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

软件工程 · 计算机科学 2025-07-21 Junda He , Christoph Treude , David Lo

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

人工智能 · 计算机科学 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Background: The surge in single-cell omics data exposes limitations in traditional, manually defined analysis workflows. AI agents offer a paradigm shift, enabling adaptive planning, executable code generation, traceable decisions, and…

基因组学 · 定量生物学 2026-03-17 Yang Liu , Lu Zhou , Xiawei Du , Ruikun He , Xuguang Zhang , Rongbo Shen , Yixue Li

Test-time scaling (TTS) enhances the performance of large language models (LLMs) by allocating additional compute resources during inference. However, existing research primarily investigates TTS in single-stage tasks; while many real-world…

人工智能 · 计算机科学 2025-10-23 Fali Wang , Hui Liu , Zhenwei Dai , Jingying Zeng , Zhiwei Zhang , Zongyu Wu , Chen Luo , Zhen Li , Xianfeng Tang , Qi He , Suhang Wang

This study introduces intelligent frameworks that use Large Language Models (LLMs) to improve task scheduling for construction robots. The LLM is fed with key data about the desired task, such as agent action abilities, and the desired end…

机器人学 · 计算机科学 2026-05-18 Swayamjit Saha , Subhabrata Das , Haonan Duan , Xiao-Yang Liu

We propose LEO-RobotAgent, a general-purpose language-driven intelligent agent framework for robots. Under this framework, LLMs can operate different types of robots to complete unpredictable complex tasks across various scenarios. This…

机器人学 · 计算机科学 2026-04-16 Lihuang Chen , Xiangyu Luo , Jun Meng

Recent advanced LLM-powered agent systems have exhibited their remarkable capabilities in tackling complex, long-horizon tasks. Nevertheless, they still suffer from inherent limitations in resource efficiency, context management, and…

The rapid advancement of Large Language Models (LLMs) has driven novel applications across diverse domains, with LLM-based agents emerging as a crucial area of exploration. This survey presents a comprehensive analysis of LLM-based agents…

人工智能 · 计算机科学 2025-11-25 Ke Chen , Peiran Wang , Yaoning Yu , Xianyang Zhan , Haohan Wang

Agent-based models (ABMs) have long been employed to explore how individual behaviors aggregate into complex societal phenomena in urban space. Unlike black-box predictive models, ABMs excel at explaining the micro-macro linkages that drive…

多智能体系统 · 计算机科学 2024-10-30 Yuwei Yan , Qingbin Zeng , Zhiheng Zheng , Jingzhe Yuan , Jie Feng , Jun Zhang , Fengli Xu , Yong Li

Large Language Model (LLM) agents represent a promising shift in human-AI interaction, moving beyond passive prompt-response systems to autonomous agents capable of reasoning, planning, and goal-directed action. While LLM agents are…

Current Large Language Model (LLM) agents demonstrate strong reasoning and tool use capabilities, but often lack self-awareness, failing to balance these approaches effectively. This imbalance leads to Tool Overuse, where models…

人工智能 · 计算机科学 2025-05-27 Cheng Qian , Emre Can Acikgoz , Hongru Wang , Xiusi Chen , Avirup Sil , Dilek Hakkani-Tür , Gokhan Tur , Heng Ji

Recent studies have uncovered the potential of Large Language Models (LLMs) in addressing complex sequential decision-making tasks through the provision of high-level instructions. However, LLM-based agents lack specialization in tackling…

人工智能 · 计算机科学 2024-05-28 Zihao Zhou , Bin Hu , Chenyang Zhao , Pu Zhang , Bin Liu

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…

人机交互 · 计算机科学 2025-11-25 Bingkun Guo , Wentian Li , Xiaojian Liu , Jiaqi Luo , Zibin Yu , Dalong Dong , Shuyou Zhang , Yiming Zhang

Large language models (LLMs) leverage chain-of-thought (CoT) techniques to tackle complex problems, representing a transformative breakthrough in artificial intelligence (AI). However, their reasoning capabilities have primarily been…

人工智能 · 计算机科学 2025-07-23 Shengchao Liu , Hannan Xu , Yan Ai , Huanxin Li , Yoshua Bengio , Harry Guo

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

高能物理 - 唯象学 · 物理学 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

机器人学 · 计算机科学 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun