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Large Language Models (LLMs) are revolutionizing industries by enhancing efficiency, scalability, and innovation. This paper investigates the potential of LLMs in automating Computer-Aided Design (CAD) workflows, by integrating FreeCAD with…

Human-Computer Interaction · Computer Science 2025-08-05 Sumit Kumar , Sarthak Kapoor , Harsh Vardhan , Yao Zhao

The rapid proliferation of large language models (LLMs) has intensified the requirement for reliable safety evaluation to uncover model vulnerabilities. To this end, numerous LLM safety evaluation benchmarks are proposed. However, existing…

Computation and Language · Computer Science 2025-08-22 Xiangyang Zhu , Yuan Tian , Chunyi Li , Kaiwei Zhang , Wei Sun , Guangtao Zhai

In this paper, we present a novel framework that combines large language models (LLMs), digital twins and industrial automation system to enable intelligent planning and control of production processes. We retrofit the automation system for…

Robotics · Computer Science 2023-12-08 Yuchen Xia , Manthan Shenoy , Nasser Jazdi , Michael Weyrich

LLM-based agents have emerged as transformative tools capable of executing complex tasks through iterative planning and action, achieving significant advancements in understanding and addressing user needs. Yet, their effectiveness remains…

Human-Computer Interaction · Computer Science 2025-08-26 Mithat Can Ozgun , Jiahuan Pei , Koen Hindriks , Lucia Donatelli , Qingzhi Liu , Junxiao Wang

Recently, program synthesis driven by large language models (LLMs) has become increasingly popular. However, program synthesis for machine learning (ML) tasks still poses significant challenges. This paper explores a novel form of program…

Software Engineering · Computer Science 2024-09-10 Jinglue Xu , Jialong Li , Zhen Liu , Nagar Anthel Venkatesh Suryanarayanan , Guoyuan Zhou , Jia Guo , Hitoshi Iba , Kenji Tei

The integration of Large Language Models (LLMs) with microscopic traffic simulation offers a promising path toward autonomous urban planning and intelligent transportation analysis. However, existing monolithic agent architectures often…

Multiagent Systems · Computer Science 2026-05-28 Shuyang Li , Ruimin Ke

The development of chemical processes, a cornerstone of chemical engineering, presents formidable challenges due to its multi-faceted nature, integrating specialized knowledge, conceptual design, and parametric simulation. Capitalizing on…

Artificial Intelligence · Computer Science 2026-03-03 Yuhang Yang , Ruikang Li , Jifei Ma , Kai Zhang , Qi Liu , Jianyu Han , Yonggan Bu , Jibin Zhou , Defu Lian , Xin Li , Enhong Chen

The recent advancements introduced by Large Language Models (LLMs) have transformed how Artificial Intelligence (AI) can support complex, real world tasks, pushing research outside the text boundaries towards multi modal contexts and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Federico Toschi , Nicolò Brunello , Andrea Sassella , Vincenzo Scotti , Mark James Carman

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate across representative benchmark tasks. Tensor network methods…

Quantum Physics · Physics 2026-01-16 Weitang Li , Jiajun Ren , Lixue Cheng , Cunxi Gong

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a…

Artificial Intelligence · Computer Science 2026-04-21 Varun Kumar , George Em Karniadakis

Computer end users have spent billions of hours completing daily tasks like tabular data processing and project timeline scheduling. Most of these tasks are repetitive and error-prone, yet most end users lack the skill to automate these…

Software Engineering · Computer Science 2023-10-31 Hongxin Li , Jingran Su , Yuntao Chen , Qing Li , Zhaoxiang Zhang

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation,…

Applications of Large Language Models~(LLMs) have evolved from simple text generators into complex software systems that integrate retrieval augmentation, tool invocation, and multi-turn interactions. Their inherent non-determinism,…

Software Engineering · Computer Science 2025-08-29 Wei Ma , Yixiao Yang , Qiang Hu , Shi Ying , Zhi Jin , Bo Du , Zhenchang Xing , Tianlin Li , Junjie Shi , Yang Liu , Linxiao Jiang

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing…

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

Automatically generating formal ontologies from unstructured natural language remains a central challenge in knowledge engineering. While large language models (LLMs) show promise, it remains unclear which architectural design choices drive…

Artificial Intelligence · Computer Science 2026-04-28 Abid Talukder , Maruf Ahmed Mridul , Oshani Seneviratne

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei
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