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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…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

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

Large language models (LLMs) have achieved remarkable outcomes in complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet, few works have explored the potential of LLMs in quantum computing. The most…

Quantum Physics · Physics 2026-01-28 Linus Jern , Valter Uotila , Cong Yu , Bo Zhao

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics,…

Machine Learning · Computer Science 2025-12-25 Saeed Mohammadzadeh , Erfan Hamdi , Joel Shor , Emma Lejeune

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

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Finite Element Analysis (FEA) serves as the cornerstone of modern engineering design. However, its workflow is inherently complex and relies heavily on domain expertise. Although recent efforts have integrated Large Language Models (LLMs)…

Artificial Intelligence · Computer Science 2026-05-29 Jiachen Zhang , Junyi Lao , Chenghao Liu , Siyuan Liu , Shixin Wu , Linsen Zhang , Boyu Wang , Songfang Huang

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 Model (LLM)-based multi-agent systems are increasingly applied to automate computational workflows in science and engineering. However, how inter-agent dynamics influence reasoning quality and verification reliability remains…

Artificial Intelligence · Computer Science 2025-11-07 Chuan Tian , Yilei Zhang

Large language models (LLMs) are establishing new paradigms for engineering applications by enabling natural language control of complex computational workflows. This paper introduces FeaGPT, the first framework to achieve complete…

Software Engineering · Computer Science 2025-10-28 Yupeng Qi , Ran Xu , Xu Chu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

We present the first implementation of AI agents into the design and optimization of detectors in high-energy physics experiments via a bilevel optimization framework that vertically integrates detector geometry, front-end digitization, and…

Instrumentation and Detectors · Physics 2026-04-24 Wonyong Chung , Qibin Liu , Liangyu Wu , Julia Gonski

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

The Finite Element Method (FEM) is widely used in engineering and scientific computing, but its pre-processing, solver configuration, and post-processing stages are often time-consuming and require specialized knowledge. This paper proposes…

Machine Learning · Computer Science 2025-10-15 Tao Zhang , Zhenhai Liu , Yong Xin , Yongjun Jiao

To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…

Human-Computer Interaction · Computer Science 2025-11-25 Bingkun Guo , Wentian Li , Xiaojian Liu , Jiaqi Luo , Zibin Yu , Dalong Dong , Shuyou Zhang , Yiming Zhang

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng

Multimodal Large Language Models (MLLMs) are evolving from passive observers into active agents, solving problems through Visual Expansion (invoking visual tools) and Knowledge Expansion (open-web search). However, existing evaluations fall…

Artificial Intelligence · Computer Science 2026-04-06 Qianshan Wei , Yishan Yang , Siyi Wang , Jinglin Chen , Binyu Wang , Jiaming Wang , Shuang Chen , Zechen Li , Yang Shi , Yuqi Tang , Weining Wang , Yi Yu , Chaoyou Fu , Qi Li , Yi-Fan Zhang

The deployment of autonomous agents for Computational Fluid Dynamics (CFD), is critically limited by the probabilistic nature of Large Language Models (LLMs), which struggle to enforce the strict conservation laws and numerical stability…

Artificial Intelligence · Computer Science 2026-02-13 E Fan , Lisong Shi , Zhengtong Li , Chih-yung Wen

Finite-State Machines (FSMs) are critical for modeling the operational logic of network protocols, enabling verification, analysis, and vulnerability discovery. However, existing FSM extraction techniques face limitations such as…

Computation and Language · Computer Science 2025-07-16 Fares Wael , Youssef Maklad , Ali Hamdi , Wael Elsersy
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