Image inversion and uncertainty quantification for constitutive laws of pattern formation

The forward problems of pattern formation have been greatly empowered by extensive theoretical studies and simulations, however, the inverse problem is less well understood. It remains unclear how accurately one can use images of pattern formation to learn the functional forms of the nonlinear and n...

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Main Authors: Zhao, Hongbo, Braatz, Richard D, Bazant, Martin Z
Format: Article
Language:English
Published: Elsevier BV 2021
Online Access:https://hdl.handle.net/1721.1/135663
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author Zhao, Hongbo
Braatz, Richard D
Bazant, Martin Z
author_facet Zhao, Hongbo
Braatz, Richard D
Bazant, Martin Z
author_sort Zhao, Hongbo
collection MIT
description The forward problems of pattern formation have been greatly empowered by extensive theoretical studies and simulations, however, the inverse problem is less well understood. It remains unclear how accurately one can use images of pattern formation to learn the functional forms of the nonlinear and nonlocal constitutive relations in the governing equation. We use PDE-constrained optimization to infer the governing dynamics and constitutive relations and use Bayesian inference and linearization to quantify their uncertainties in different systems, operating conditions, and imaging conditions. We discuss the conditions to reduce the uncertainty of the inferred functions and the correlation between them, such as state-dependent free energy and reaction kinetics (or diffusivity). We present the inversion algorithm and illustrate its robustness and uncertainties under limited spatiotemporal resolution, unknown boundary conditions, blurry initial conditions, and other non-ideal situations. Under certain situations, prior physical knowledge can be included to constrain the result. Phase-field, reaction-diffusion, and phase-field-crystal models are used as model systems. The approach developed here can find applications in inferring unknown physical properties of complex pattern-forming systems and in guiding their experimental design.
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spelling mit-1721.1/1356632021-10-28T03:56:38Z Image inversion and uncertainty quantification for constitutive laws of pattern formation Zhao, Hongbo Braatz, Richard D Bazant, Martin Z The forward problems of pattern formation have been greatly empowered by extensive theoretical studies and simulations, however, the inverse problem is less well understood. It remains unclear how accurately one can use images of pattern formation to learn the functional forms of the nonlinear and nonlocal constitutive relations in the governing equation. We use PDE-constrained optimization to infer the governing dynamics and constitutive relations and use Bayesian inference and linearization to quantify their uncertainties in different systems, operating conditions, and imaging conditions. We discuss the conditions to reduce the uncertainty of the inferred functions and the correlation between them, such as state-dependent free energy and reaction kinetics (or diffusivity). We present the inversion algorithm and illustrate its robustness and uncertainties under limited spatiotemporal resolution, unknown boundary conditions, blurry initial conditions, and other non-ideal situations. Under certain situations, prior physical knowledge can be included to constrain the result. Phase-field, reaction-diffusion, and phase-field-crystal models are used as model systems. The approach developed here can find applications in inferring unknown physical properties of complex pattern-forming systems and in guiding their experimental design. 2021-10-27T20:24:31Z 2021-10-27T20:24:31Z 2021 2021-06-08T16:36:51Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/135663 en 10.1016/j.jcp.2021.110279 Journal of Computational Physics Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier BV arXiv
spellingShingle Zhao, Hongbo
Braatz, Richard D
Bazant, Martin Z
Image inversion and uncertainty quantification for constitutive laws of pattern formation
title Image inversion and uncertainty quantification for constitutive laws of pattern formation
title_full Image inversion and uncertainty quantification for constitutive laws of pattern formation
title_fullStr Image inversion and uncertainty quantification for constitutive laws of pattern formation
title_full_unstemmed Image inversion and uncertainty quantification for constitutive laws of pattern formation
title_short Image inversion and uncertainty quantification for constitutive laws of pattern formation
title_sort image inversion and uncertainty quantification for constitutive laws of pattern formation
url https://hdl.handle.net/1721.1/135663
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