{"title":"基于模型的超参数化系统实验设计改进贝叶斯参数估计","authors":"Xinyu Cao , Xi Chen , Lorenz T. Biegler","doi":"10.1016/j.compchemeng.2025.109296","DOIUrl":null,"url":null,"abstract":"<div><div>It is efficient to integrate Bayesian parameter estimation (BPE) with model-based design of experiments (MBDoE) to estimate process parameters. But for over-parameterized models, significant challenges are involved such as the singularity of the Fisher Information Matrix (FIM) and the non-convergence of Markov Chain Monte Carlo (MCMC) methods. To address these challenges, this study introduces a novel approach that integrates BPE and model transformation through singular value decomposition (SVD). Under the proposed structure, the noise distribution not only converges to a stable state but also consistently recovers the true noise variance. Good performance in achieving more accurate model and improved experimental efficiency is validated through two case studies on dynamic batch reactor systems.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"202 ","pages":"Article 109296"},"PeriodicalIF":3.9000,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Improved Bayesian parameters estimation with model-based design of experiments for over-parameterized systems\",\"authors\":\"Xinyu Cao , Xi Chen , Lorenz T. Biegler\",\"doi\":\"10.1016/j.compchemeng.2025.109296\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>It is efficient to integrate Bayesian parameter estimation (BPE) with model-based design of experiments (MBDoE) to estimate process parameters. But for over-parameterized models, significant challenges are involved such as the singularity of the Fisher Information Matrix (FIM) and the non-convergence of Markov Chain Monte Carlo (MCMC) methods. To address these challenges, this study introduces a novel approach that integrates BPE and model transformation through singular value decomposition (SVD). Under the proposed structure, the noise distribution not only converges to a stable state but also consistently recovers the true noise variance. Good performance in achieving more accurate model and improved experimental efficiency is validated through two case studies on dynamic batch reactor systems.</div></div>\",\"PeriodicalId\":286,\"journal\":{\"name\":\"Computers & Chemical Engineering\",\"volume\":\"202 \",\"pages\":\"Article 109296\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-07-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers & Chemical Engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0098135425002984\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers & Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0098135425002984","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Improved Bayesian parameters estimation with model-based design of experiments for over-parameterized systems
It is efficient to integrate Bayesian parameter estimation (BPE) with model-based design of experiments (MBDoE) to estimate process parameters. But for over-parameterized models, significant challenges are involved such as the singularity of the Fisher Information Matrix (FIM) and the non-convergence of Markov Chain Monte Carlo (MCMC) methods. To address these challenges, this study introduces a novel approach that integrates BPE and model transformation through singular value decomposition (SVD). Under the proposed structure, the noise distribution not only converges to a stable state but also consistently recovers the true noise variance. Good performance in achieving more accurate model and improved experimental efficiency is validated through two case studies on dynamic batch reactor systems.
期刊介绍:
Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.