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Elsevier, Chemical Engineering Journal, 3(166), p. 1095-1103, 2011

DOI: 10.1016/j.cej.2010.11.097

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Bayesian migration of Gaussian process regression for rapid process modeling and optimization

Journal article published in 2011 by Wenjin Yan, Shuangquan Hu, Yanhui Yang, Furong Gao, Tao Chen ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Data-based empirical models, though widely used in process optimization, are restricted to a specific process being modeled. Model migration has been proved to be an effective technique to adapt a base model from a old process to a new but similar process. This paper proposes to apply the flexible Gaussian process regression (GPR) for empirical modeling, and develops a Bayesian method for migrating the GPR model. The migration is conducted by a functional scale-bias correction of the base model, as opposed to the restrictive parametric scale-bias approach. Furthermore, an iterative approach that jointly accomplishes model migration and process optimization is presented. This is in contrast to the conventional “two-step” method whereby an accurate model is developed prior to model-based optimization. A rigorous statistical measure, the expected improvement, is adopted for optimization in the presence of prediction uncertainty. The proposed methodology has been applied to the optimization of a simulated chemical process, and a real catalytic reaction for the epoxidation of trans-stilbene.