LAPSE:2023.1365
Published Article

LAPSE:2023.1365
Association Measure and Compact Prediction for Chemical Process Data from an Information-Theoretic Perspective
February 21, 2023
Abstract
Mutual information (MI) has been widely used for association mining in complex chemical processes, but how to precisely estimate MI between variables of different numerical types, discriminate their association relationships with targets and finally achieve compact and interpretable prediction has not been discussed in detail, which may limit MI in more complicated industrial applications. Therefore, this paper first reviews the existing information-based association measures and proposes a general framework, GIEF, to consistently detect associations and independence between different types of variables. Then, the study defines four mutually exclusive association relations of variables from an information-theoretic perspective to guide feature selection and compact prediction in high-dimensional processes. Based on GIEF and conditional mutual information maximization (CMIM), a new algorithm, CMIM-GIEF, is proposed and tested on a fluidized catalytic cracking (FCC) process with 217 variables, one which achieves significantly improved accuracies with fewer variables in predicting the yields of four crucial products. The compact variables identified are also consistent with the results of Shapley Additive exPlanations (SHAP) and industrial experience, proving good adaptivity of the method for chemical process data.
Mutual information (MI) has been widely used for association mining in complex chemical processes, but how to precisely estimate MI between variables of different numerical types, discriminate their association relationships with targets and finally achieve compact and interpretable prediction has not been discussed in detail, which may limit MI in more complicated industrial applications. Therefore, this paper first reviews the existing information-based association measures and proposes a general framework, GIEF, to consistently detect associations and independence between different types of variables. Then, the study defines four mutually exclusive association relations of variables from an information-theoretic perspective to guide feature selection and compact prediction in high-dimensional processes. Based on GIEF and conditional mutual information maximization (CMIM), a new algorithm, CMIM-GIEF, is proposed and tested on a fluidized catalytic cracking (FCC) process with 217 variables, one which achieves significantly improved accuracies with fewer variables in predicting the yields of four crucial products. The compact variables identified are also consistent with the results of Shapley Additive exPlanations (SHAP) and industrial experience, proving good adaptivity of the method for chemical process data.
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Keywords
chemical process, compact prediction, feature selection, independence tests, mutual information, steady-state modeling
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Suggested Citation
Luo L, He G, Zhang Y, Ji X, Zhou L, Dai Y, Dang Y. Association Measure and Compact Prediction for Chemical Process Data from an Information-Theoretic Perspective. (2023). LAPSE:2023.1365
Author Affiliations
Luo L: School of Chemical Engineering, Sichuan University, Chengdu 610065, China [ORCID]
He G: College of Biomass Science and Engineering, Sichuan University, Chengdu 610065, China
Zhang Y: Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich, Switzerland
Ji X: School of Chemical Engineering, Sichuan University, Chengdu 610065, China [ORCID]
Zhou L: School of Chemical Engineering, Sichuan University, Chengdu 610065, China
Dai Y: School of Chemical Engineering, Sichuan University, Chengdu 610065, China [ORCID]
Dang Y: School of Chemical Engineering, Sichuan University, Chengdu 610065, China
He G: College of Biomass Science and Engineering, Sichuan University, Chengdu 610065, China
Zhang Y: Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich, Switzerland
Ji X: School of Chemical Engineering, Sichuan University, Chengdu 610065, China [ORCID]
Zhou L: School of Chemical Engineering, Sichuan University, Chengdu 610065, China
Dai Y: School of Chemical Engineering, Sichuan University, Chengdu 610065, China [ORCID]
Dang Y: School of Chemical Engineering, Sichuan University, Chengdu 610065, China
Journal Name
Processes
Volume
10
Issue
12
First Page
2659
Year
2022
Publication Date
2022-12-09
ISSN
2227-9717
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Original Submission
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PII: pr10122659, Publication Type: Journal Article
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LAPSE:2023.1365
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https://doi.org/10.3390/pr10122659
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Feb 21, 2023
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