CeProAgents: A Hierarchical Agents System for Automated Chemical Process Development

📅 2026-03-02
📈 Citations: 0
Influential: 0
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🤖 AI Summary
Chemical process development remains heavily reliant on expert intuition, posing significant challenges to automation. To address this, this work proposes a hierarchical multi-agent architecture tailored for chemical engineering, comprising specialized agents in knowledge, conceptualization, and parameterization that collaboratively integrate dynamic dialogue groups with structured workflows to enable automatic task decomposition and execution. The study introduces CeProBench—the first multidimensional benchmark for evaluating chemical process development systems—and demonstrates the proposed framework’s effectiveness and superiority across its six representative tasks. These results highlight both the transformative potential and current limitations of large language models in industrial chemical engineering applications.

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📝 Abstract
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 this, we propose CeProAgents, a hierarchical multi-agent system designed to automate the development of chemical process through collaborative division of labor. Our architecture comprises three specialized agent cohorts focused on knowledge, concept, and parameter respectively. To effectively adapt to the inherent complexity of chemical tasks, each cohort employs a novel hybrid architecture that integrates dynamic agent chatgroups with structured agentic workflows. To rigorously evaluate the system, we establish CeProBench, a multi-dimensional benchmark structured around three core pillars of chemical engineering. We design six distinct types of tasks across these dimensions to holistically assess the comprehensive capabilities of the system in chemical process development. The results not only confirm the effectiveness and superiority of our proposed approach but also reveal the transformative potential as well as the current boundaries of Large Language Models (LLMs) for industrial chemical engineering.
Problem

Research questions and friction points this paper is trying to address.

chemical process development
multi-agent system
automation
chemical engineering
complexity
Innovation

Methods, ideas, or system contributions that make the work stand out.

hierarchical multi-agent system
chemical process development
dynamic agent chatgroups
structured agentic workflows
CeProBench
Y
Yuhang Yang
State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China
R
Ruikang Li
State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China
J
Jifei Ma
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
Kai Zhang
Kai Zhang
University of Science and Technology of China
Artificial IntelligenceNLPKnowledge InferenceLLMs Reasoning
Qi Liu
Qi Liu
University of Science and Technology of China
Data MiningEducational Big DataRecommender SystemsSocial Network Analysis
J
Jianyu Han
State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China
Y
Yonggan Bu
State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China
J
Jibin Zhou
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
D
Defu Lian
State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China
Xin Li
Xin Li
University of Science and Technology of China
Data MiningArtificial IntelligenceNeuroscienceAI for Science
Enhong Chen
Enhong Chen
University of Science and Technology of China
data miningrecommender systemmachine learning