Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating

Zheyuan Pang; Siying Liu; Yiting Lin; Xiangchen Fang; Honglai Liu; Chong Peng; Cheng Lian

doi:10.1016/j.cjche.2025.05.012

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Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating

Full Length Article | Updated：2026-03-26

- Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating
- Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating
- 中国化学工程学报（英文版） 2025年84卷第8期页码：133-145
- Affiliations：
  
  1. State Key Laboratory of Chemical Engineering, Shanghai Engineering Research Center of Hierarchical Nanomaterials, and School of Chemical Engineering, East China University of Science and Technology,Shanghai,China,200237
  2. School of Chemistry and Molecular Engineering, East China University of Science and Technology,Shanghai,China,200237
  3. Key Laboratory of Pressure Systems and Safety (MOE), School of Mechanical and Power Engineering, East China University of Science and Technology,Shanghai,China,200237
  4. Dalian Research Institute of Petroleum and Petrochemicals, SINOPEC,Dalian,China,116024
  5. State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology,Dalian,China,116024
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2025.05.012
  中图分类号：
- 纸质出版：2025
- Accepted：
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Zheyuan Pang, Siying Liu, Yiting Lin, 等. Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating[J]. 中国化学工程学报（英文版）, 2025,84(8):133-145.

Zheyuan Pang, Siying Liu, Yiting Lin, Xiangchen Fang, Honglai Liu, Chong Peng, Cheng Lian. Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating[J]. Chinese Journal of Chemical Engineering, 2025, 84(8): 133-145.
Zheyuan Pang, Siying Liu, Yiting Lin, 等. Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating[J]. 中国化学工程学报（英文版）, 2025,84(8):133-145. DOI： 10.1016/j.cjche.2025.05.012.

Zheyuan Pang, Siying Liu, Yiting Lin, Xiangchen Fang, Honglai Liu, Chong Peng, Cheng Lian. Large language model-based multi-objective modeling framework for vacuum gas oil hydrotreating[J]. Chinese Journal of Chemical Engineering, 2025, 84(8): 133-145. DOI： 10.1016/j.cjche.2025.05.012.

摘要

Abstract

Data-driven approaches are extensively employed to model complex chemical engineering processes

such as hydrotreating

to address the challenges of mechanism-based methods demanding deep process understanding. However

the development of such models requires specialized expertise in data science

limiting their broader application. Large language models (LLMs)

such as GPT-4

have demonstrated potential in supporting and guiding research efforts. This work presents a novel AI-assisted framework where GPT-4

through well-engineered prompts

facilitates the construction and explanation of multi-objective neural networks. These models predict hydrotreating products properties (such as distillation range)

including refined diesel and refined gas oil

using feedstock properties

operating conditions

and recycle hydrogen composition. Gradient-weighted class activation mapping was employed to identify key features influencing the output variables. This work illustrates an innovative AI-guided paradigm for chemical engineering applications

and the designed prompts hold promise for adaptation to other complex processes.

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