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With the advent of large language models (LLMs), there is a growing interest in applying LLMs to scientific tasks. In this work, we conduct an experimental study to explore applicability of LLMs for configuring, annotating, translating,…

Human-Computer Interaction · Computer Science 2025-10-13 Orcun Yildiz , Tom Peterka

The ability of Large Language Models (LLMs) to use external tools unlocks powerful real-world interactions, making rigorous evaluation essential. However, current benchmarks primarily report final accuracy, revealing what models can do but…

Computation and Language · Computer Science 2026-01-29 Qihao Wang , Yue Hu , Mingzhe Lu , Jiayue Wu , Yanbing Liu , Yuanmin Tang

Complex vehicle routing problems (VRPs) remain a fundamental challenge, demanding substantial expert effort for intent interpretation and algorithm design. While large language models (LLMs) offer a promising path toward automation, current…

Artificial Intelligence · Computer Science 2026-02-17 Ni Zhang , Zhiguang Cao , Jianan Zhou , Cong Zhang , Yew-Soon Ong

Recently, large language models (LLMs) have demonstrated remarkable problem-solving capabilities by autonomously integrating with external tools for collaborative reasoning. However, due to the inherently complex and diverse nature of…

Artificial Intelligence · Computer Science 2025-11-03 Mengjie Deng , Guanting Dong , Zhicheng Dou

Significant advancements have occurred in the application of Large Language Models (LLMs) for social simulations. Despite this, their abilities to perform teaming in task-oriented social events are underexplored. Such capabilities are…

Artificial Intelligence · Computer Science 2025-08-18 Yuan Li , Lichao Sun , Yixuan Zhang

Multi-agent large language model (LLM) systems have shown promise for solving complex tasks through agent collaboration. However, existing frameworks assign tasks based on predefined roles without considering whether an agent can accurately…

Artificial Intelligence · Computer Science 2026-05-19 Chenyu Wang , Yang Shu

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

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…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Large language models(LLMs) are now used to power complex multi-turn agentic workflows. Existing systems run agentic inference by loosely assembling isolated components: an LLM inference engine (e.g., vLLM) and a tool orchestrator (e.g.,…

Operating Systems · Computer Science 2026-03-12 Hao Kang , Ziyang Li , Xinyu Yang , Weili Xu , Yinfang Chen , Junxiong Wang , Beidi Chen , Tushar Krishna , Chenfeng Xu , Simran Arora

Metasurface inverse design has become central to realizing complex optical functionality, yet translating target responses into executable, solver-compatible workflows still demands specialized expertise in computational electromagnetics…

Artificial Intelligence · Computer Science 2026-04-03 Yi Huang , Bowen Zheng , Yunxi Dong , Hong Tang , Huan Zhao , S. M. Rakibul Hasan Shawon , Hualiang Zhang

The core challenge in automotive exterior design is balancing subjective aesthetics with objective aerodynamic performance while dramatically accelerating the development cycle. To address this, we propose a novel, LLM-driven multi-agent…

Computational Engineering, Finance, and Science · Computer Science 2025-08-06 Xinyu Jin , Shengmao Yan , Qingtao Wang , Shisong Deng , Yanzhen Jiang , Shuangyao Zhao

The concept of the 'agent' has profoundly shaped Artificial Intelligence (AI) research, guiding development from foundational theories to contemporary applications like Large Language Model (LLM)-based systems. This paper critically…

Artificial Intelligence · Computer Science 2025-09-16 Jesse Gardner , Vladimir A. Baulin

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Autonomous, goal-driven agents powered by LLMs have recently emerged as promising tools for solving challenging problems without the need for task-specific finetuned models that can be expensive to procure. Currently, the design and…

The advancement of artificial intelligence toward agentic science is currently bottlenecked by the challenge of ultra-long-horizon autonomy, the ability to sustain strategic coherence and iterative correction over experimental cycles…

Artificial Intelligence · Computer Science 2026-03-26 Xinyu Zhu , Yuzhu Cai , Zexi Liu , Bingyang Zheng , Cheng Wang , Rui Ye , Yuzhi Zhang , Linfeng Zhang , Weinan E , Siheng Chen , Yanfeng Wang

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

The emergence of AI agents powered by large language models (LLMs) marks a pivotal shift toward the Agentic Web, a new phase of the internet defined by autonomous, goal-driven interactions. In this paradigm, agents interact directly with…

Effectively leveraging the vast computational resources of modern cloud environments requires expertise spanning multiple technical domains: configuring scientific software with correct parameters and dependencies, navigating thousands of…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-24 Shihan Cheng , Michael A. Laurenzano , Brian Strauch , Timothy A. Ellis , Krish Wadhwani , David A. B. Hyde

Recent developments in large language models (LLMs) have unlocked new opportunities for healthcare, from information synthesis to clinical decision support. These new LLMs are not just capable of modeling language, but can also act as…

Human-Computer Interaction · Computer Science 2023-09-21 Nikita Mehandru , Brenda Y. Miao , Eduardo Rodriguez Almaraz , Madhumita Sushil , Atul J. Butte , Ahmed Alaa