{"title":"Domain transfer spatiotemporal graph network for predicting key indicators in multimode chemical processes","authors":"Jialiang Zhu , Chao Yang , Yi Liu","doi":"10.1016/j.ces.2025.121783","DOIUrl":null,"url":null,"abstract":"<div><div>In modern chemical industries, soft sensors related to key indicators are crucial in production processes, particularly for multimode chemical processes. However, challenges arise from scarce labeled data and constant process shifts, which complicate the development of these sensors. Additionally, complex process variable interactions hinder prediction interpretability. This work develops a domain transfer spatiotemporal graph network (DTSGN) regression model, tailored for cross-domain modeling in multimode chemical processes. The DTSGN model first employs graph convolution to capture spatial dependencies and gating mechanism to track temporal relationships. A Bernoulli-distributed perturbation graph enhances model robustness. By embedding constraints into conditional distribution discrepancy, the parameters for DTSGN are calibrated under the fine-tuning paradigm for new mode. Therefore, the model extends its applicability to address process shifts in multimode chemical processes. A graph explainer finally ensures interpretability by aligning learned variable graph with process knowledge, and two multimode cases evidence the proposed model’s efficacy and superiority.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121783"},"PeriodicalIF":4.1000,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Science","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009250925006062","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In modern chemical industries, soft sensors related to key indicators are crucial in production processes, particularly for multimode chemical processes. However, challenges arise from scarce labeled data and constant process shifts, which complicate the development of these sensors. Additionally, complex process variable interactions hinder prediction interpretability. This work develops a domain transfer spatiotemporal graph network (DTSGN) regression model, tailored for cross-domain modeling in multimode chemical processes. The DTSGN model first employs graph convolution to capture spatial dependencies and gating mechanism to track temporal relationships. A Bernoulli-distributed perturbation graph enhances model robustness. By embedding constraints into conditional distribution discrepancy, the parameters for DTSGN are calibrated under the fine-tuning paradigm for new mode. Therefore, the model extends its applicability to address process shifts in multimode chemical processes. A graph explainer finally ensures interpretability by aligning learned variable graph with process knowledge, and two multimode cases evidence the proposed model’s efficacy and superiority.
期刊介绍:
Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline.
Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.