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Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning.
Record Type:
Electronic resources : Monograph/item
Title/Author:
Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning./
Author:
Pugar, Joseph Andrew.
Description:
1 online resource (206 pages)
Notes:
Source: Dissertations Abstracts International, Volume: 84-08, Section: B.
Contained By:
Dissertations Abstracts International84-08B.
Subject:
Polymer chemistry. -
Online resource:
http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30248117click for full text (PQDT)
ISBN:
9798371980069
Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning.
Pugar, Joseph Andrew.
Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning.
- 1 online resource (206 pages)
Source: Dissertations Abstracts International, Volume: 84-08, Section: B.
Thesis (Ph.D.)--Carnegie Mellon University, 2023.
Includes bibliographical references
The objective of the following dissertation was to develop Hierarchical Machine Learning models to accurately predict bulk properties of polyurethanes with domain knowledge from small datasets. Polyurethanes find application in coatings, foams, and solid elastomers but the range of processing conditions and the diversity of monomers results in limited datasets in practice and as a result statistical modeling has not been pursued extensively in place of high-throughput experiments, bias brute force modeling, or assumptive analytical treatments. By introducing experimental and computational data describing the multiscale forces in polyurethanes with Hierarchical Machine Learning, interpretable and high predictive-strength models were studied. Four major property types were the subject of modeling-thermal, rheological, mechanical, and failure. Each has unique hypotheses as to what underlying physical trend accurately predicts the property. Testing was performed on withheld sets of training data and secondary validation sets of unobserved chemical formulations were used to further analyze the generalizability of prediction. Through model performance and feature selection/analysis, material and property design principles could be extracted from model outputs.
Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2023
Mode of access: World Wide Web
ISBN: 9798371980069Subjects--Topical Terms:
3173488
Polymer chemistry.
Subjects--Index Terms:
Latent variablesIndex Terms--Genre/Form:
542853
Electronic books.
Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning.
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Multiscale Modeling of Polyurethane Properties Via Latent Variables with Hierarchical Machine Learning.
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Source: Dissertations Abstracts International, Volume: 84-08, Section: B.
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Advisor: Washburn, Newell R.
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Thesis (Ph.D.)--Carnegie Mellon University, 2023.
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Includes bibliographical references
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The objective of the following dissertation was to develop Hierarchical Machine Learning models to accurately predict bulk properties of polyurethanes with domain knowledge from small datasets. Polyurethanes find application in coatings, foams, and solid elastomers but the range of processing conditions and the diversity of monomers results in limited datasets in practice and as a result statistical modeling has not been pursued extensively in place of high-throughput experiments, bias brute force modeling, or assumptive analytical treatments. By introducing experimental and computational data describing the multiscale forces in polyurethanes with Hierarchical Machine Learning, interpretable and high predictive-strength models were studied. Four major property types were the subject of modeling-thermal, rheological, mechanical, and failure. Each has unique hypotheses as to what underlying physical trend accurately predicts the property. Testing was performed on withheld sets of training data and secondary validation sets of unobserved chemical formulations were used to further analyze the generalizability of prediction. Through model performance and feature selection/analysis, material and property design principles could be extracted from model outputs.
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ProQuest,
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Mode of access: World Wide Web
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Polymer chemistry.
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http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30248117
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click for full text (PQDT)
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