Bias free multiobjective active learning for materials design and discovery

Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based...

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Autores principales:	Kevin Maik Jablonka, Giriprasad Melpatti Jothiappan, Shefang Wang, Berend Smit, Brian Yoo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/5e35ebe9396e4369baa0deb7485d7deb
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spelling	oai:doaj.org-article:5e35ebe9396e4369baa0deb7485d7deb2021-12-02T17:33:34ZBias free multiobjective active learning for materials design and discovery10.1038/s41467-021-22437-02041-1723https://doaj.org/article/5e35ebe9396e4369baa0deb7485d7deb2021-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-22437-0https://doaj.org/toc/2041-1723Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based application.Kevin Maik JablonkaGiriprasad Melpatti JothiappanShefang WangBerend SmitBrian YooNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Kevin Maik Jablonka Giriprasad Melpatti Jothiappan Shefang Wang Berend Smit Brian Yoo Bias free multiobjective active learning for materials design and discovery
description	Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based application.
format	article
author	Kevin Maik Jablonka Giriprasad Melpatti Jothiappan Shefang Wang Berend Smit Brian Yoo
author_facet	Kevin Maik Jablonka Giriprasad Melpatti Jothiappan Shefang Wang Berend Smit Brian Yoo
author_sort	Kevin Maik Jablonka
title	Bias free multiobjective active learning for materials design and discovery
title_short	Bias free multiobjective active learning for materials design and discovery
title_full	Bias free multiobjective active learning for materials design and discovery
title_fullStr	Bias free multiobjective active learning for materials design and discovery
title_full_unstemmed	Bias free multiobjective active learning for materials design and discovery
title_sort	bias free multiobjective active learning for materials design and discovery
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/5e35ebe9396e4369baa0deb7485d7deb
work_keys_str_mv	AT kevinmaikjablonka biasfreemultiobjectiveactivelearningformaterialsdesignanddiscovery AT giriprasadmelpattijothiappan biasfreemultiobjectiveactivelearningformaterialsdesignanddiscovery AT shefangwang biasfreemultiobjectiveactivelearningformaterialsdesignanddiscovery AT berendsmit biasfreemultiobjectiveactivelearningformaterialsdesignanddiscovery AT brianyoo biasfreemultiobjectiveactivelearningformaterialsdesignanddiscovery
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Bias free multiobjective active learning for materials design and discovery

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