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Agent based modelling is a simulation method in which autonomous agents interact with their environment and one another, given a predefined set of rules. It is an integral method for modelling and simulating complex systems, such as…

Multiagent Systems · Computer Science 2022-01-10 George Datseris , Ali R. Vahdati , Timothy C. DuBois

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

The premise of this working paper is based around agent-based simulation models and how to go about creating them from given incomplete information. Agent-based simulations are stochastic simulations that revolve around groups of agents…

Multiagent Systems · Computer Science 2019-02-06 Daniel Stroud , Christian Wagner , Peer-Olaf Siebers

We present a solver-agnostic framework in which coordinated large language model (LLM) agents autonomously execute the complete computational mechanics workflow, from perceptual data of an engineering component through geometry extraction,…

Computational Engineering, Finance, and Science · Computer Science 2026-04-14 Daniel N. Wilke

Verifying LLM-generated systems code is hard: bugs are prevalent, formal specifications are missing, and safety contracts are encoded implicitly at call sites rather than enforced at function boundaries. We propose agentic model checking, a…

Software Engineering · Computer Science 2026-05-21 Youcheng Sun , Jiawen Liu , Daniel Kroening , Jason Xue

Large language models (LLMs) hold considerable potential for advancing scientific discovery, yet systematic assessment of their dynamic reasoning in real-world research remains limited. Current scientific evaluation benchmarks predominantly…

Computation and Language · Computer Science 2026-03-27 Taolin Han , Shuang Wu , Jinghang Wang , Yuhao Zhou , Renquan Lv , Bing Zhao , Wei Hu

Large Language Models (LLMs) can generate Computer-Aided Design (CAD), yet lack physical comprehension required for reliable engineering design. Instead of attempting to implicitly learn physical laws from data, we propose a Hybrid…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Elias Berger , Muhammad Usama , Jan Mehlstäubl , Bernhard Saske , Kristin Paetzold-Byhain

Agent-based models capture heterogeneity among individuals in a population and are widely used in studies of multi-cellular systems, disease, epidemics and demography to name a few. However, existing frameworks consider discrete time-step…

Populations and Evolution · Quantitative Biology 2024-10-03 Paul Piho , Philipp Thomas

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…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

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

Agentic data science (ADS) systems are rapidly improving their capability to autonomously analyze, fit, and interpret data, potentially moving towards a future where agents conduct the vast majority of data-science work. However, current…

Artificial Intelligence · Computer Science 2026-05-06 Chandan Singh , Yan Shuo Tan , Weijia Xu , Zelalem Gero , Weiwei Yang , Michel Galley , Jianfeng Gao

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g.,…

Databases · Computer Science 2026-03-11 Yue Wua , Tianhao Su , Rui Hu , Mingchuan Zhao , Shunbo Hu , Deng Pan , Jizhong Huang

We present a multi-agent framework for generating physics simulation code from natural language descriptions, featuring a novel perceptual self-reflection mechanism for validation. The system employs four specialized agents: a natural…

Software Engineering · Computer Science 2026-02-16 Prashant Shende , Bradley Camburn

Modern clinical practice relies on evidence-based guidelines implemented as compact scoring systems composed of a small number of interpretable decision rules. While machine-learning models achieve strong performance, many fail to translate…

Machine Learning · Computer Science 2026-05-25 Silas Ruhrberg Estévez , Christopher Chiu , Mihaela van der Schaar

Engineering analysis automation in product development relies on rigid interfaces between tools, data formats and documented processes. When these interfaces change, as they routinely do as the product evolves in the engineering ecosystem,…

Software Engineering · Computer Science 2026-03-18 Alejandro Pradas-Gomez , Arindam Brahma , Ola Isaksson

Large language models can consult information that fixed static analyzers cannot, such as documentation, current security advisories, version-specific metadata, and informal API contracts. This makes LLMs a compelling option for program…

Software Engineering · Computer Science 2026-05-14 Jacqueline L. Mitchell , Chao Wang

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

Computation and Language · Computer Science 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

The literature has witnessed an emerging interest in AI agents for automated assessment of scientific papers. Existing benchmarks focus primarily on the computational aspect of this task, testing agents' ability to reproduce or replicate…

Agentic LLM frameworks promise autonomous behavior via task decomposition, tool use, and iterative planning, but most deployed systems remain brittle. They lack runtime introspection, cannot diagnose their own failure modes, and do not…

Artificial Intelligence · Computer Science 2025-12-10 Christopher Cruz

Simulating how team members collaborate within complex environments using Agentic AI is a promising approach to explore hypotheses grounded in social science theories and study team behaviors. We introduce VirtLab, a user-friendly,…

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