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The Large Language Model agent workflow enables the LLM to invoke tool functions to increase the performance on specific scientific domain questions. To tackle large scale of scientific research, it requires access to computing resource and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-19 Heng Ma , Alexander Brace , Carlo Siebenschuh , Greg Pauloski , Ian Foster , Arvind Ramanathan

Data standardization is a crucial part of the data science life cycle. While tools like Pandas offer robust functionalities, their complexity and the manual effort required for customizing code to diverse column types pose significant…

Machine Learning · Computer Science 2025-06-03 Danrui Qi , Zhengjie Miao , Jiannan Wang

Language-model agent systems commonly rely on reactive prompting, in which a single instruction guides the model through an open-ended sequence of reasoning and tool-use steps, leaving control flow and intermediate state implicit and making…

Computation and Language · Computer Science 2026-04-16 Pengcheng Wang , Jerry Huang , Jiarui Yao , Rui Pan , Peizhi Niu , Yaowenqi Liu , Ruida Wang , Renhao Lu , Yuwei Guo , Tong Zhang

This position paper examines the use of Large Language Models (LLMs) in social simulation, analyzing their potential and limitations from a computational social science perspective. We first review recent findings on LLMs' ability to…

Artificial Intelligence · Computer Science 2026-03-02 Patrick Taillandier , Jean Daniel Zucker , Arnaud Grignard , Benoit Gaudou , Nghi Quang Huynh , Alexis Drogoul

Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Artificial Intelligence · Computer Science 2026-03-03 Ao Cheng , Lei Zhang , Guowei He

With ChatGPT-like large language models (LLM) prevailing in the community, how to evaluate the ability of LLMs is an open question. Existing evaluation methods suffer from following shortcomings: (1) constrained evaluation abilities, (2)…

Artificial Intelligence · Computer Science 2023-08-09 Jiaju Lin , Haoran Zhao , Aochi Zhang , Yiting Wu , Huqiuyue Ping , Qin Chen

While frontier large language models (LLMs) are capable tool-using agents, current AI systems still operate in a strict turn-based fashion, oblivious to passage of time. This synchronous design forces user queries and tool-use to occur…

Artificial Intelligence · Computer Science 2024-10-30 Antonio A. Ginart , Naveen Kodali , Jason Lee , Caiming Xiong , Silvio Savarese , John Emmons

Agent-based modeling is a paradigm of modeling dynamic systems of interacting agents that are individually governed by specified behavioral rules. Training a model of such agents to produce an emergent behavior by specification of the…

Machine Learning · Computer Science 2019-10-11 Karan K. Budhraja , Hang Gao , Tim Oates

Linear programming (LP) problems are pervasive in real-life applications. However, despite their apparent simplicity, an untrained user may find it difficult to determine the linear model of their specific problem. We envisage the creation…

Computation and Language · Computer Science 2024-02-01 Yelaman Abdullin , Diego Molla-Aliod , Bahadorreza Ofoghi , John Yearwood , Qingyang Li

Robotic research is inherently challenging, requiring expertise in diverse environments and control algorithms. Adapting algorithms to new environments often poses significant difficulties, compounded by the need for extensive…

Robotics · Computer Science 2025-04-10 Halid Abdulrahim Kadi , Kasim Terzić

This paper introduces and evaluates a freely available cellular nonlinear network simulator optimized for the effective use of GPUs, to achieve fast modelling and simulations. Its relevance is demonstrated for several applications in…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Radu Dogaru , Ioana Dogaru

Applying large language models (LLMs) as teaching assists has attracted much attention as an integral part of intelligent education, particularly in computing courses. To reduce the gap between the LLMs and the computer programming…

Computation and Language · Computer Science 2024-12-25 Rui Xiao , Jiong Wang , Lu Han , Na Zong , Han Wu

Open-sourced Large Language Models (LLMs) have achieved great success in various NLP tasks, however, they are still far inferior to API-based models when acting as agents. How to integrate agent ability into general LLMs becomes a crucial…

Computation and Language · Computer Science 2024-03-20 Zehui Chen , Kuikun Liu , Qiuchen Wang , Wenwei Zhang , Jiangning Liu , Dahua Lin , Kai Chen , Feng Zhao

Large Language Models (LLMs) are increasingly used to build autonomous agents that perform complex tasks with external tools, often exposed through APIs in enterprise systems. Direct use of these APIs is difficult due to the complex input…

We have built an open-source software system for the modeling of biomolecular reaction networks, SloppyCell, which is written in Python and makes substantial use of third-party libraries for numerics, visualization, and parallel…

Quantitative Methods · Quantitative Biology 2007-05-23 Christopher R. Myers , Ryan N. Gutenkunst , James. P. Sethna

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing…

Multiagent Systems · Computer Science 2024-10-29 Xuchen Pan , Dawei Gao , Yuexiang Xie , Yushuo Chen , Zhewei Wei , Yaliang Li , Bolin Ding , Ji-Rong Wen , Jingren Zhou

Despite advancements in the areas of parallel and distributed computing, the complexity of programming on High Performance Computing (HPC) resources has deterred many domain experts, especially in the areas of machine learning and…

We present the development and optimization of PayPal's Commerce Agent, powered by NEMO-4-PAYPAL, a multi-agent system designed to revolutionize agentic commerce on the PayPal platform. Through our strategic partnership with NVIDIA, we…

Large Language Model (LLM) agents, capable of performing a broad range of actions, such as invoking tools and controlling robots, show great potential in tackling real-world challenges. LLM agents are typically prompted to produce actions…

Computation and Language · Computer Science 2024-06-10 Xingyao Wang , Yangyi Chen , Lifan Yuan , Yizhe Zhang , Yunzhu Li , Hao Peng , Heng Ji

LLMs are increasingly deployed as agents, systems capable of planning, reasoning, and dynamically calling external tools. However, in visual reasoning, prior approaches largely remain limited by predefined workflows and static toolsets. In…

Computation and Language · Computer Science 2025-08-28 Shitian Zhao , Haoquan Zhang , Shaoheng Lin , Ming Li , Qilong Wu , Kaipeng Zhang , Chen Wei