Data-driven surrogate modelling and benchmarking for process equipment
- URL: http://arxiv.org/abs/2003.07701v2
- Date: Tue, 8 Sep 2020 14:42:14 GMT
- Title: Data-driven surrogate modelling and benchmarking for process equipment
- Authors: Gabriel F. N. Gon\c{c}alves, Assen Batchvarov, Yuyi Liu, Yuxin Liu,
Lachlan Mason, Indranil Pan, Omar K. Matar
- Abstract summary: A suite of computational fluid dynamics (CFD) simulations geared toward chemical process equipment modeling has been developed.
Various regression-based active learning strategies are explored with these CFD simulators in-the-loop under the constraints of a limited function evaluation budget.
- Score: 1.8395181176356432
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: In chemical process engineering, surrogate models of complex systems are
often necessary for tasks of domain exploration, sensitivity analysis of the
design parameters, and optimization. A suite of computational fluid dynamics
(CFD) simulations geared toward chemical process equipment modeling has been
developed and validated with experimental results from the literature. Various
regression-based active learning strategies are explored with these CFD
simulators in-the-loop under the constraints of a limited function evaluation
budget. Specifically, five different sampling strategies and five regression
techniques are compared, considering a set of four test cases of industrial
significance and varying complexity. Gaussian process regression was observed
to have a consistently good performance for these applications. The present
quantitative study outlines the pros and cons of the different available
techniques and highlights the best practices for their adoption. The test cases
and tools are available with an open-source license to ensure reproducibility
and engage the wider research community in contributing to both the CFD models
and developing and benchmarking new improved algorithms tailored to this field.
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