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Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

计算与语言 · 计算机科学 2023-10-27 Siqi Ouyang , Lei Li

Large Language Models (LLMs) are increasingly being used as autonomous agents capable of performing complicated tasks. However, they lack the ability to perform reliable long-horizon planning on their own. This paper bridges this gap by…

人工智能 · 计算机科学 2025-09-17 Yarin Benyamin , Argaman Mordoch , Shahaf S. Shperberg , Roni Stern

The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

材料科学 · 物理学 2026-04-08 Fengxu Yang , Jack D. Evans

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with…

人工智能 · 计算机科学 2026-02-09 Lijie Ding , Jan-Michael Carrillo , Changwoo Do

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

化学物理 · 物理学 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

Autonomous Vehicles (AVs) are poised to revolutionize emergency services by enabling faster, safer, and more efficient responses. This transformation is driven by advances in Artificial Intelligence (AI), particularly Reinforcement Learning…

人工智能 · 计算机科学 2026-02-23 Yousef Emami , Radha Reddy , Azadeh Pourkabirian , Miguel Gutierrez Gaitan

Wildfire monitoring demands autonomous systems capable of reasoning under extreme visual degradation, rapidly evolving physical dynamics, and scarce real-world training data. Existing UAV navigation approaches rely on simplified simulators…

机器人学 · 计算机科学 2026-01-08 Chris Webb , Mobin Habibpour , Mayamin Hamid Raha , Ali Reza Tavakkoli , Janice Coen , Fatemeh Afghah

The growing availability of building operational data motivates the use of reinforcement learning (RL), which can learn control policies directly from data and cope with the complexity and uncertainty of large-scale building clusters.…

人工智能 · 计算机科学 2026-03-30 Borui Zhang , Nariman Mahdavi , Subbu Sethuvenkatraman , Shuang Ao , Flora Salim

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Capture-the-Flag (CTF) competitions play a central role in modern cybersecurity as a platform for training practitioners and evaluating offensive and defensive techniques derived from real-world vulnerabilities. Despite recent advances in…

密码学与安全 · 计算机科学 2026-01-15 Xiaonan Liu , Zhihao Li , Xiao Lan , Hao Ren , Haizhou Wang , Xingshu Chen

Applying Large language models (LLMs) within specific domains requires substantial adaptation to account for the unique terminologies, nuances, and context-specific challenges inherent to those areas. Here, we introduce DropMicroFluidAgents…

计算机与社会 · 计算机科学 2025-01-28 Dinh-Nguyen Nguyen , Raymond Kai-Yu Tong , Ngoc-Duy Dinh

Agent-based modeling and simulation has evolved as a powerful tool for modeling complex systems, offering insights into emergent behaviors and interactions among diverse agents. Integrating large language models into agent-based modeling…

人工智能 · 计算机科学 2023-12-20 Chen Gao , Xiaochong Lan , Nian Li , Yuan Yuan , Jingtao Ding , Zhilun Zhou , Fengli Xu , Yong Li

Much previous AI research has focused on developing monolithic models to maximize their intelligence, with the primary goal of enhancing performance on specific tasks. In contrast, this work attempts to study using LLM-based agents to…

计算与语言 · 计算机科学 2026-02-10 Xiangyuan Xue , Zeyu Lu , Di Huang , Zidong Wang , Wanli Ouyang , Lei Bai

Autonomous agents powered by large language models (LLMs) have garnered significant research attention. However, fully harnessing the potential of LLMs for agent-based tasks presents inherent challenges due to the heterogeneous nature of…

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

人工智能 · 计算机科学 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

As scientific research proliferates, researchers face the daunting task of navigating and reading vast amounts of literature. Existing solutions, such as document QA, fail to provide personalized and up-to-date information efficiently. We…

计算与语言 · 计算机科学 2024-09-10 Guanyu Lin , Tao Feng , Pengrui Han , Ge Liu , Jiaxuan You

Large Language Models (LLMs) can extend their parameter knowledge limits by adopting the Tool-Integrated Reasoning (TIR) paradigm. However, existing LLM-based agent training framework often focuses on answers' accuracy, overlooking specific…

人工智能 · 计算机科学 2026-01-21 Yifei Chen , Guanting Dong , Zhicheng Dou

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

机器学习 · 计算机科学 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Large Language Models (LLMs) herald a transformative era in artificial intelligence (AI). However, the expansive scale of data and parameters of LLMs requires high-demand computational and memory resources, restricting their accessibility…

机器学习 · 计算机科学 2024-11-26 Shengwen Ding , Chenhui Hu

Embodied agents designed to assist users with tasks must engage in natural language interactions, interpret instructions, execute actions, and communicate effectively to resolve issues. However, collecting large-scale, diverse datasets of…

计算与语言 · 计算机科学 2024-11-01 Daniel Philipov , Vardhan Dongre , Gokhan Tur , Dilek Hakkani-Tür
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