Cargando…

A trajectory-based loss function to learn missing terms in bifurcating dynamical systems

Missing terms in dynamical systems are a challenging problem for modeling. Recent developments in the combination of machine learning and dynamical system theory open possibilities for a solution. We show how physics-informed differential equations and machine learning—combined in the Universal Diff...

Descripción completa

Detalles Bibliográficos
Autores principales: Vortmeyer-Kley, Rahel, Nieters, Pascal, Pipa, Gordon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8516982/
https://www.ncbi.nlm.nih.gov/pubmed/34650131
http://dx.doi.org/10.1038/s41598-021-99609-x
_version_ 1784583914575101952
author Vortmeyer-Kley, Rahel
Nieters, Pascal
Pipa, Gordon
author_facet Vortmeyer-Kley, Rahel
Nieters, Pascal
Pipa, Gordon
author_sort Vortmeyer-Kley, Rahel
collection PubMed
description Missing terms in dynamical systems are a challenging problem for modeling. Recent developments in the combination of machine learning and dynamical system theory open possibilities for a solution. We show how physics-informed differential equations and machine learning—combined in the Universal Differential Equation (UDE) framework by Rackauckas et al.—can be modified to discover missing terms in systems that undergo sudden fundamental changes in their dynamical behavior called bifurcations. With this we enable the application of the UDE approach to a wider class of problems which are common in many real world applications. The choice of the loss function, which compares the training data trajectory in state space and the current estimated solution trajectory of the UDE to optimize the solution, plays a crucial role within this approach. The Mean Square Error as loss function contains the risk of a reconstruction which completely misses the dynamical behavior of the training data. By contrast, our suggested trajectory-based loss function which optimizes two largely independent components, the length and angle of state space vectors of the training data, performs reliable well in examples of systems from neuroscience, chemistry and biology showing Saddle-Node, Pitchfork, Hopf and Period-doubling bifurcations.
format Online
Article
Text
id pubmed-8516982
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-85169822021-10-15 A trajectory-based loss function to learn missing terms in bifurcating dynamical systems Vortmeyer-Kley, Rahel Nieters, Pascal Pipa, Gordon Sci Rep Article Missing terms in dynamical systems are a challenging problem for modeling. Recent developments in the combination of machine learning and dynamical system theory open possibilities for a solution. We show how physics-informed differential equations and machine learning—combined in the Universal Differential Equation (UDE) framework by Rackauckas et al.—can be modified to discover missing terms in systems that undergo sudden fundamental changes in their dynamical behavior called bifurcations. With this we enable the application of the UDE approach to a wider class of problems which are common in many real world applications. The choice of the loss function, which compares the training data trajectory in state space and the current estimated solution trajectory of the UDE to optimize the solution, plays a crucial role within this approach. The Mean Square Error as loss function contains the risk of a reconstruction which completely misses the dynamical behavior of the training data. By contrast, our suggested trajectory-based loss function which optimizes two largely independent components, the length and angle of state space vectors of the training data, performs reliable well in examples of systems from neuroscience, chemistry and biology showing Saddle-Node, Pitchfork, Hopf and Period-doubling bifurcations. Nature Publishing Group UK 2021-10-14 /pmc/articles/PMC8516982/ /pubmed/34650131 http://dx.doi.org/10.1038/s41598-021-99609-x Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Vortmeyer-Kley, Rahel
Nieters, Pascal
Pipa, Gordon
A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title_full A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title_fullStr A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title_full_unstemmed A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title_short A trajectory-based loss function to learn missing terms in bifurcating dynamical systems
title_sort trajectory-based loss function to learn missing terms in bifurcating dynamical systems
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8516982/
https://www.ncbi.nlm.nih.gov/pubmed/34650131
http://dx.doi.org/10.1038/s41598-021-99609-x
work_keys_str_mv AT vortmeyerkleyrahel atrajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems
AT nieterspascal atrajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems
AT pipagordon atrajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems
AT vortmeyerkleyrahel trajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems
AT nieterspascal trajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems
AT pipagordon trajectorybasedlossfunctiontolearnmissingtermsinbifurcatingdynamicalsystems