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Artificial intelligence has great potential for accelerating the design and engineering of chemical processes. Recently, we have shown that transformer-based language models can learn to auto-complete chemical process flowsheets using the…

Machine Learning · Computer Science 2024-01-17 Lukas Schulze Balhorn , Edwin Hirtreiter , Lynn Luderer , Artur M. Schweidtmann

Recent advances in generative AI have accelerated the discovery of novel chemicals and materials. However, scaling these discoveries to industrial production remains a major bottleneck due to the synthesis gap -- the need to develop…

Machine Learning · Computer Science 2025-08-19 Sakhinana Sagar Srinivas , Shivam Gupta , Venkataramana Runkana

Developing Piping and Instrumentation Diagrams (P&IDs) is a crucial step during the development of chemical processes. Currently, this is a tedious, manual, and time-consuming task. We propose a novel, completely data-driven method for the…

Computation and Language · Computer Science 2024-01-17 Edwin Hirtreiter , Lukas Schulze Balhorn , Artur M. Schweidtmann

A piping and instrumentation diagram (P&ID) is a central reference document in chemical process engineering. Currently, chemical engineers manually review P&IDs through visual inspection to find and rectify errors. However, engineering…

Computational Engineering, Finance, and Science · Computer Science 2026-05-28 Lukas Schulze Balhorn , Niels Seijsener , Kevin Dao , Minji Kim , Dominik P. Goldstein , Ge H. M. Driessen , Artur M. Schweidtmann

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

We propose a novel method enabling autocompletion of chemical flowsheets. This idea is inspired by the autocompletion of text. We represent flowsheets as strings using the text-based SFILES 2.0 notation and learn the grammatical structure…

Machine Learning · Computer Science 2024-01-17 Gabriel Vogel , Lukas Schulze Balhorn , Artur M. Schweidtmann

Self-correction of large language models (LLMs) emerges as a critical component for enhancing their reasoning performance. Although various self-correction methods have been proposed, a comprehensive evaluation of these methods remains…

Computation and Language · Computer Science 2025-10-23 Guiyao Tie , Zenghui Yuan , Zeli Zhao , Chaoran Hu , Tianhe Gu , Ruihang Zhang , Sizhe Zhang , Junran Wu , Xiaoyue Tu , Ming Jin , Qingsong Wen , Lixing Chen , Pan Zhou , Lichao Sun

Behavioral model diagrams, e.g., sequence diagrams, are an essential form of documentation that are typically designed by system engineers from requirements documentation, either fully manually or assisted by design tools. With the growing…

Software Engineering · Computer Science 2025-09-03 Khaled Ahmed , Jialing Song , Boqi Chen , Ou Wei , Bingzhou Zheng

Industrial machine fault diagnosis is a critical component of operational efficiency and safety in manufacturing environments. Traditional methods rely heavily on expert knowledge and specific machine learning models, which can be limited…

Computation and Language · Computer Science 2024-10-07 Apiradee Boonmee , Kritsada Wongsuwan , Pimchanok Sukjai

Large language models (LLMs) have demonstrated remarkable performance across a wide array of NLP tasks. However, their efficacy is undermined by undesired and inconsistent behaviors, including hallucination, unfaithful reasoning, and toxic…

Computation and Language · Computer Science 2023-08-31 Liangming Pan , Michael Saxon , Wenda Xu , Deepak Nathani , Xinyi Wang , William Yang Wang

The Piping and Instrumentation Diagrams (P&IDs) are foundational to the design, construction, and operation of workflows in the engineering and process industries. However, their manual creation is often labor-intensive, error-prone, and…

Machine Learning · Computer Science 2024-12-18 Shreeyash Gowaikar , Srinivasan Iyengar , Sameer Segal , Shivkumar Kalyanaraman

Large language models (LLMs) have achieved remarkable success across various natural language processing (NLP) tasks. However, recent studies suggest that they still face challenges in performing fundamental NLP tasks essential for deep…

Computation and Language · Computer Science 2025-04-22 Ziyan Zhang , Yang Hou , Chen Gong , Zhenghua Li

This survey reviews how large language models (LLMs) are transforming synthetic training data generation in both natural language and code domains. By producing artificial but task-relevant examples, these models can significantly augment…

Computation and Language · Computer Science 2025-11-21 Mihai Nadas , Laura Diosan , Andreea Tomescu

Configuring computational fluid dynamics (CFD) simulations typically demands extensive domain expertise, limiting broader access. Although large language models (LLMs) have advanced scientific computing, their use in automating CFD…

Fluid Dynamics · Physics 2025-12-30 Zhehao Dong , Zhen Lu , Yue Yang

Large language models (LLMs) have demonstrated an impressive ability to generate codes on competitive programming tasks. However, with limited sample numbers, LLMs still suffer from poor accuracy. Inspired by the process of human…

Software Engineering · Computer Science 2023-09-12 Kechi Zhang , Zhuo Li , Jia Li , Ge Li , Zhi Jin

With the rapid evolution of global autonomous driving technology, the demand for its core sensing hardware, Light Detection and Ranging (LiDAR), is escalating. As the light source part of the LiDAR system, lasers, particularly the…

Large language model (LLM) self-correction -- the ability to detect and fix errors in generated outputs -- remains largely ad hoc, relying on generic prompts such as "please reconsider your answer" without systematic error analysis or…

Artificial Intelligence · Computer Science 2026-05-19 Yuning Wu , Yingmin Liu , Yang Shu

Large Language Models (LLMs) have become powerful tools for automated code generation. However, these models often overlook critical security practices, which can result in the generation of insecure code that contains…

Software Engineering · Computer Science 2025-07-01 Hao Yan , Swapneel Suhas Vaidya , Xiaokuan Zhang , Ziyu Yao

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Large Language Model (LLM) Agents leverage the advanced reasoning capabilities of LLMs in real-world applications. To interface with an environment, these agents often rely on tools, such as web search or database APIs. As the agent…

Artificial Intelligence · Computer Science 2025-03-12 Ivan Milev , Mislav Balunović , Maximilian Baader , Martin Vechev
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