Rapid Bayesian optimisation for synthesis of short polymer fiber materials

Abstract The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches....

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Autores principales:	Cheng Li, David Rubín de Celis Leal, Santu Rana, Sunil Gupta, Alessandra Sutti, Stewart Greenhill, Teo Slezak, Murray Height, Svetha Venkatesh
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/2b7a361eedda4f35898bb1a1a94b8de0
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spelling	oai:doaj.org-article:2b7a361eedda4f35898bb1a1a94b8de02021-12-02T12:32:38ZRapid Bayesian optimisation for synthesis of short polymer fiber materials10.1038/s41598-017-05723-02045-2322https://doaj.org/article/2b7a361eedda4f35898bb1a1a94b8de02017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05723-0https://doaj.org/toc/2045-2322Abstract The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We describe an iterative method which uses machine learning to optimise process development, incorporating multiple qualitative and quantitative objectives. We demonstrate the method with a novel fluid processing platform for synthesis of short polymer fibers, and show how the synthesis process can be efficiently directed to achieve material and process objectives.Cheng LiDavid Rubín de Celis LealSantu RanaSunil GuptaAlessandra SuttiStewart GreenhillTeo SlezakMurray HeightSvetha VenkateshNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Cheng Li David Rubín de Celis Leal Santu Rana Sunil Gupta Alessandra Sutti Stewart Greenhill Teo Slezak Murray Height Svetha Venkatesh Rapid Bayesian optimisation for synthesis of short polymer fiber materials
description	Abstract The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We describe an iterative method which uses machine learning to optimise process development, incorporating multiple qualitative and quantitative objectives. We demonstrate the method with a novel fluid processing platform for synthesis of short polymer fibers, and show how the synthesis process can be efficiently directed to achieve material and process objectives.
format	article
author	Cheng Li David Rubín de Celis Leal Santu Rana Sunil Gupta Alessandra Sutti Stewart Greenhill Teo Slezak Murray Height Svetha Venkatesh
author_facet	Cheng Li David Rubín de Celis Leal Santu Rana Sunil Gupta Alessandra Sutti Stewart Greenhill Teo Slezak Murray Height Svetha Venkatesh
author_sort	Cheng Li
title	Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_short	Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_full	Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_fullStr	Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_full_unstemmed	Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_sort	rapid bayesian optimisation for synthesis of short polymer fiber materials
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/2b7a361eedda4f35898bb1a1a94b8de0
work_keys_str_mv	AT chengli rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT davidrubindecelisleal rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT santurana rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT sunilgupta rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT alessandrasutti rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT stewartgreenhill rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT teoslezak rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT murrayheight rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials AT svethavenkatesh rapidbayesianoptimisationforsynthesisofshortpolymerfibermaterials
_version_	1718393968278896640

Rapid Bayesian optimisation for synthesis of short polymer fiber materials

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