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Rapid Bayesian optimisation for synthesis of short polymer fiber materials

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 descr...

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Autores principales: Li, Cheng, Rubín de Celis Leal, David, Rana, Santu, Gupta, Sunil, Sutti, Alessandra, Greenhill, Stewart, Slezak, Teo, Height, Murray, Venkatesh, Svetha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5515927/
https://www.ncbi.nlm.nih.gov/pubmed/28720869
http://dx.doi.org/10.1038/s41598-017-05723-0
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author Li, Cheng
Rubín de Celis Leal, David
Rana, Santu
Gupta, Sunil
Sutti, Alessandra
Greenhill, Stewart
Slezak, Teo
Height, Murray
Venkatesh, Svetha
author_facet Li, Cheng
Rubín de Celis Leal, David
Rana, Santu
Gupta, Sunil
Sutti, Alessandra
Greenhill, Stewart
Slezak, Teo
Height, Murray
Venkatesh, Svetha
author_sort Li, Cheng
collection PubMed
description 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.
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spelling pubmed-55159272017-07-19 Rapid Bayesian optimisation for synthesis of short polymer fiber materials Li, Cheng Rubín de Celis Leal, David Rana, Santu Gupta, Sunil Sutti, Alessandra Greenhill, Stewart Slezak, Teo Height, Murray Venkatesh, Svetha Sci Rep Article 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. Nature Publishing Group UK 2017-07-18 /pmc/articles/PMC5515927/ /pubmed/28720869 http://dx.doi.org/10.1038/s41598-017-05723-0 Text en © The Author(s) 2017 Open Access This 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Li, Cheng
Rubín de Celis Leal, David
Rana, Santu
Gupta, Sunil
Sutti, Alessandra
Greenhill, Stewart
Slezak, Teo
Height, Murray
Venkatesh, Svetha
Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title 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_short Rapid Bayesian optimisation for synthesis of short polymer fiber materials
title_sort rapid bayesian optimisation for synthesis of short polymer fiber materials
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5515927/
https://www.ncbi.nlm.nih.gov/pubmed/28720869
http://dx.doi.org/10.1038/s41598-017-05723-0
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