A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach

Detalhes bibliográficos
Autor(a) principal: Faroughi, Salah A.
Data de Publicação: 2022
Outros Autores: Roriz, Ana Isabel Araújo, Fernandes, Célio
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/1822/75651
Resumo: This study presents a framework based on Machine Learning (ML) models to predict the drag coefficient of a spherical particle translating in viscoelastic fluids. For the purpose of training and testing the ML models, two datasets were generated using direct numerical simulations (DNSs) for the viscoelastic unbounded flow of Oldroyd-B (OB-set containing 12,120 data points) and Giesekus (GI-set containing 4950 data points) fluids past a spherical particle. The kinematic input features were selected to be Reynolds number, 0 < Re _ 50,Weissenberg number, 0 _ Wi _ 10, polymeric retardation ratio, 0 < z < 1, and shear thinning mobility parameter, 0 < a < 1. The ML models, specifically Random Forest (RF), Deep Neural Network (DNN) and Extreme Gradient Boosting (XGBoost), were all trained, validated, and tested, and their best architecture was obtained using a 10-Fold cross-validation method. All the ML models presented remarkable accuracy on these datasets; however the XGBoost model resulted in the highest R2 and the lowest root mean square error (RMSE) and mean absolute percentage error (MAPE) measures. Additionally, a blind dataset was generated using DNSs, where the input feature coverage was outside the scope of the training set or interpolated within the training sets. The ML models were tested against this blind dataset, to further assess their generalization capability. The DNN model achieved the highest R2 and the lowest RMSE and MAPE measures when inferred on this blind dataset. Finally, we developed a meta-model using stacking technique to ensemble RF, XGBoost and DNN models and output a prediction based on the individual learner’s predictions and a DNN meta-regressor. The meta-model consistently outperformed the individual models on all datasets.
id RCAP_9c3d6e8118890da6ef73f69a915e572e
oai_identifier_str oai:repositorium.sdum.uminho.pt:1822/75651
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approachMachine learningDeep learningStacked learningViscoelastic flowsOldroyd-B fluidGiesekus fluidSphere drag coefficientEngenharia e Tecnologia::Engenharia MecânicaScience & TechnologyIndústria, inovação e infraestruturasThis study presents a framework based on Machine Learning (ML) models to predict the drag coefficient of a spherical particle translating in viscoelastic fluids. For the purpose of training and testing the ML models, two datasets were generated using direct numerical simulations (DNSs) for the viscoelastic unbounded flow of Oldroyd-B (OB-set containing 12,120 data points) and Giesekus (GI-set containing 4950 data points) fluids past a spherical particle. The kinematic input features were selected to be Reynolds number, 0 < Re _ 50,Weissenberg number, 0 _ Wi _ 10, polymeric retardation ratio, 0 < z < 1, and shear thinning mobility parameter, 0 < a < 1. The ML models, specifically Random Forest (RF), Deep Neural Network (DNN) and Extreme Gradient Boosting (XGBoost), were all trained, validated, and tested, and their best architecture was obtained using a 10-Fold cross-validation method. All the ML models presented remarkable accuracy on these datasets; however the XGBoost model resulted in the highest R2 and the lowest root mean square error (RMSE) and mean absolute percentage error (MAPE) measures. Additionally, a blind dataset was generated using DNSs, where the input feature coverage was outside the scope of the training set or interpolated within the training sets. The ML models were tested against this blind dataset, to further assess their generalization capability. The DNN model achieved the highest R2 and the lowest RMSE and MAPE measures when inferred on this blind dataset. Finally, we developed a meta-model using stacking technique to ensemble RF, XGBoost and DNN models and output a prediction based on the individual learner’s predictions and a DNN meta-regressor. The meta-model consistently outperformed the individual models on all datasets.The authors would like to acknowledge the University of Minho cluster under the project NORTE-07-0162-FEDER-000086 (URL: http://search6.di.uminho.pt), the Minho Advanced Computing Center (MACC) (URL: https://macc.fccn.pt) under the project CPCA_A2_6052_2020, the Consorzio Interuniversitario dell’Italia Nord Est per il Calcolo Automatico (CINECA) under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897) with the support of the EC Research Innovation Action under the H2020 Programme, and PRACE—Partnership for Advanced Computing in Europe under the project icei-prace-2020-0009, for providing HPC resources that have contributed to the research results reported within this paper. The authors thank Professor Gareth Huw McKinley from the Hatsopoulos Microfluids Laboratory, Department of Mechanical Engineering at the Massachusetts Institute of Technology for insightful comments regarding this work.Multidisciplinary Digital Publishing Institute (MDPI)Universidade do MinhoFaroughi, Salah A.Roriz, Ana Isabel AraújoFernandes, Célio2022-012022-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/75651engFaroughi, S.A.; Roriz, A.I.; Fernandes, C. A Meta-Model to Predict the Drag Coefficient of a Particle Translating in Viscoelastic Fluids: A Machine Learning Approach. Polymers 2022, 14, 430. https://doi.org/10.3390/polym140304302073-436010.3390/polym14030430https://www.mdpi.com/2073-4360/14/3/430info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-21T12:17:16Zoai:repositorium.sdum.uminho.pt:1822/75651Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:09:52.394586Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
title A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
spellingShingle A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
Faroughi, Salah A.
Machine learning
Deep learning
Stacked learning
Viscoelastic flows
Oldroyd-B fluid
Giesekus fluid
Sphere drag coefficient
Engenharia e Tecnologia::Engenharia Mecânica
Science & Technology
Indústria, inovação e infraestruturas
title_short A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
title_full A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
title_fullStr A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
title_full_unstemmed A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
title_sort A meta-model to predict the drag coefficient of a particle translating in viscoelastic fluids: a machine learning approach
author Faroughi, Salah A.
author_facet Faroughi, Salah A.
Roriz, Ana Isabel Araújo
Fernandes, Célio
author_role author
author2 Roriz, Ana Isabel Araújo
Fernandes, Célio
author2_role author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Faroughi, Salah A.
Roriz, Ana Isabel Araújo
Fernandes, Célio
dc.subject.por.fl_str_mv Machine learning
Deep learning
Stacked learning
Viscoelastic flows
Oldroyd-B fluid
Giesekus fluid
Sphere drag coefficient
Engenharia e Tecnologia::Engenharia Mecânica
Science & Technology
Indústria, inovação e infraestruturas
topic Machine learning
Deep learning
Stacked learning
Viscoelastic flows
Oldroyd-B fluid
Giesekus fluid
Sphere drag coefficient
Engenharia e Tecnologia::Engenharia Mecânica
Science & Technology
Indústria, inovação e infraestruturas
description This study presents a framework based on Machine Learning (ML) models to predict the drag coefficient of a spherical particle translating in viscoelastic fluids. For the purpose of training and testing the ML models, two datasets were generated using direct numerical simulations (DNSs) for the viscoelastic unbounded flow of Oldroyd-B (OB-set containing 12,120 data points) and Giesekus (GI-set containing 4950 data points) fluids past a spherical particle. The kinematic input features were selected to be Reynolds number, 0 < Re _ 50,Weissenberg number, 0 _ Wi _ 10, polymeric retardation ratio, 0 < z < 1, and shear thinning mobility parameter, 0 < a < 1. The ML models, specifically Random Forest (RF), Deep Neural Network (DNN) and Extreme Gradient Boosting (XGBoost), were all trained, validated, and tested, and their best architecture was obtained using a 10-Fold cross-validation method. All the ML models presented remarkable accuracy on these datasets; however the XGBoost model resulted in the highest R2 and the lowest root mean square error (RMSE) and mean absolute percentage error (MAPE) measures. Additionally, a blind dataset was generated using DNSs, where the input feature coverage was outside the scope of the training set or interpolated within the training sets. The ML models were tested against this blind dataset, to further assess their generalization capability. The DNN model achieved the highest R2 and the lowest RMSE and MAPE measures when inferred on this blind dataset. Finally, we developed a meta-model using stacking technique to ensemble RF, XGBoost and DNN models and output a prediction based on the individual learner’s predictions and a DNN meta-regressor. The meta-model consistently outperformed the individual models on all datasets.
publishDate 2022
dc.date.none.fl_str_mv 2022-01
2022-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/1822/75651
url http://hdl.handle.net/1822/75651
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Faroughi, S.A.; Roriz, A.I.; Fernandes, C. A Meta-Model to Predict the Drag Coefficient of a Particle Translating in Viscoelastic Fluids: A Machine Learning Approach. Polymers 2022, 14, 430. https://doi.org/10.3390/polym14030430
2073-4360
10.3390/polym14030430
https://www.mdpi.com/2073-4360/14/3/430
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute (MDPI)
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute (MDPI)
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
_version_ 1799132526000734208