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The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

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

Large language models (LLMs) are increasingly being adopted as the cognitive core of embodied agents. However, inherited hallucinations, which stem from failures to ground user instructions in the observed physical environment, can lead to…

The increasing complexity of modern chemical processes, coupled with workforce shortages and intricate fault scenarios, demands novel automation paradigms that blend symbolic reasoning with adaptive control. In this work, we introduce a…

Artificial Intelligence · Computer Science 2025-07-11 Javal Vyas , Mehmet Mercangoz

Despite advances in embodied AI, agent reasoning systems still struggle to capture the fundamental conceptual structures that humans naturally use to understand and interact with their environment. To address this, we propose a novel…

Artificial Intelligence · Computer Science 2025-04-01 François Olivier , Zied Bouraoui

We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and…

Artificial Intelligence · Computer Science 2026-02-18 Kaito Baba , Chaoran Liu , Shuhei Kurita , Akiyoshi Sannai

The discovery of constitutive laws for complex materials has historically faced a dichotomy between high-fidelity data-driven approaches, which demand prohibitive full-field experimental data, and traditional engineering fitting, which…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Yue Wu , Tianhao Su , Mingchuan Zhao , Shunbo Hu , Deng Pan

Large language models can generate scientific simulation code, but the generated code silently fails on most non-textbook problems. We show that classical mathematical validation -- well-posedness, convergence, and error certification --…

Software Engineering · Computer Science 2026-03-30 Chengshuai Yang

Training large language models for complex reasoning is bottlenecked by the scarcity of verifiable, high-quality data. In domains like physics, standard text augmentation often introduces hallucinations, while static benchmarks lack the…

Computation and Language · Computer Science 2026-03-17 Aditya Sharan , Sriram Hebbale , Dhruv Kumar

Large language model (LLM)-driven agents are emerging as a powerful new paradigm for solving complex problems. Despite the empirical success of these practices, a theoretical framework to understand and unify their macroscopic dynamics…

Machine Learning · Computer Science 2025-12-12 Zhuo-Yang Song , Qing-Hong Cao , Ming-xing Luo , Hua Xing Zhu

Neurosymbolic approaches can add robustness to opaque neural systems by incorporating explainable symbolic representations. However, previous approaches have not used formal logic to contextualize queries to and validate outputs of large…

Computation and Language · Computer Science 2024-09-19 Priyesh Vakharia , Abigail Kufeldt , Max Meyers , Ian Lane , Leilani Gilpin

LLM agents are increasingly used for code generation, but physics-based simulation poses a deeper challenge: natural-language descriptions of simulation models are inherently underspecified, and different admissible resolutions of implicit…

Software Engineering · Computer Science 2026-03-03 Knut-Andreas Lie , Olav Møyner , Elling Svee , Jakob Torben

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

Artificial Intelligence · Computer Science 2025-08-19 Yinggan Xu , Hana Kimlee , Yijia Xiao , Di Luo

Large language models (LLMs) are increasingly explored as general-purpose reasoners, particularly in agentic contexts. However, their outputs remain prone to mathematical and logical errors. This is especially challenging in open-ended…

Artificial Intelligence · Computer Science 2025-05-30 Agnieszka Mensfelt , Kostas Stathis , Vince Trencsenyi

The cognitive processes of the hypnotized mind and the computational operations of large language models (LLMs) share deep functional parallels. Both systems generate sophisticated, contextually appropriate behavior through automatic…

Artificial Intelligence · Computer Science 2025-11-04 Giuseppe Riva , Brenda K. Wiederhold , Fabrizia Mantovani

Large Language Models (LLMs) are rapidly advancing across diverse domains, yet their application in theoretical physics remains inadequate. While current models show competence in mathematical reasoning and code generation, we identify…

Computation and Language · Computer Science 2026-03-13 Sirui Lu , Zhijing Jin , Terry Jingchen Zhang , Pavel Kos , J. Ignacio Cirac , Bernhard Schölkopf

Heating, Ventilation, and Air-Conditioning (HVAC) systems account for a substantial share of global building energy use, making reliable anomaly detection essential for improving efficiency and reducing emissions. Classical rule-based…

Artificial Intelligence · Computer Science 2025-10-21 Subin Lin , Chuanbo Hua

The search for physics beyond the Standard Model is hindered by a combinatorial explosion of possible theories. We introduce \textsc{Albert}, a neuro-symbolic artificial intelligence framework to systematically navigate this vast theory…

High Energy Physics - Phenomenology · Physics 2026-04-01 Stephon Alexander , Benjamin Bradley , Loukas Gouskos , Cooper Niu

The rapid deployment of Large Language Models and AI agents across critical societal and technical domains is hindered by persistent behavioral pathologies including sycophancy, hallucination, and strategic deception that resist mitigation…

Artificial Intelligence · Computer Science 2026-02-23 Xingcheng Xu , Jingjing Qu , Qiaosheng Zhang , Chaochao Lu , Yanqing Yang , Na Zou , Xia Hu