Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.

Biologically-informed neural networks (BINNs), an extension of physics-informed neural networks [1], are introduced and used to discover the underlying dynamics of biological systems from sparse experimental data. In the present work, BINNs are trained in a supervised learning framework to approxima...

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Main Authors: John H Lagergren, John T Nardini, Ruth E Baker, Matthew J Simpson, Kevin B Flores
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2020-12-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1008462
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author John H Lagergren
John T Nardini
Ruth E Baker
Matthew J Simpson
Kevin B Flores
author_facet John H Lagergren
John T Nardini
Ruth E Baker
Matthew J Simpson
Kevin B Flores
author_sort John H Lagergren
collection DOAJ
description Biologically-informed neural networks (BINNs), an extension of physics-informed neural networks [1], are introduced and used to discover the underlying dynamics of biological systems from sparse experimental data. In the present work, BINNs are trained in a supervised learning framework to approximate in vitro cell biology assay experiments while respecting a generalized form of the governing reaction-diffusion partial differential equation (PDE). By allowing the diffusion and reaction terms to be multilayer perceptrons (MLPs), the nonlinear forms of these terms can be learned while simultaneously converging to the solution of the governing PDE. Further, the trained MLPs are used to guide the selection of biologically interpretable mechanistic forms of the PDE terms which provides new insights into the biological and physical mechanisms that govern the dynamics of the observed system. The method is evaluated on sparse real-world data from wound healing assays with varying initial cell densities [2].
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spelling doaj.art-c5335f6d2e5c4065bc1ff58b82467b4f2022-12-21T22:40:14ZengPublic Library of Science (PLoS)PLoS Computational Biology1553-734X1553-73582020-12-011612e100846210.1371/journal.pcbi.1008462Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.John H LagergrenJohn T NardiniRuth E BakerMatthew J SimpsonKevin B FloresBiologically-informed neural networks (BINNs), an extension of physics-informed neural networks [1], are introduced and used to discover the underlying dynamics of biological systems from sparse experimental data. In the present work, BINNs are trained in a supervised learning framework to approximate in vitro cell biology assay experiments while respecting a generalized form of the governing reaction-diffusion partial differential equation (PDE). By allowing the diffusion and reaction terms to be multilayer perceptrons (MLPs), the nonlinear forms of these terms can be learned while simultaneously converging to the solution of the governing PDE. Further, the trained MLPs are used to guide the selection of biologically interpretable mechanistic forms of the PDE terms which provides new insights into the biological and physical mechanisms that govern the dynamics of the observed system. The method is evaluated on sparse real-world data from wound healing assays with varying initial cell densities [2].https://doi.org/10.1371/journal.pcbi.1008462
spellingShingle John H Lagergren
John T Nardini
Ruth E Baker
Matthew J Simpson
Kevin B Flores
Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
PLoS Computational Biology
title Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
title_full Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
title_fullStr Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
title_full_unstemmed Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
title_short Biologically-informed neural networks guide mechanistic modeling from sparse experimental data.
title_sort biologically informed neural networks guide mechanistic modeling from sparse experimental data
url https://doi.org/10.1371/journal.pcbi.1008462
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