Calibration transfer between NIR spectrometers: new proposals and a comparative study

[EN] Calibration transfer between near-infrared (NIR) spectrometers is a subtle issue in chemometrics and process industry. In fact, as even very similar instruments may generate strongly different spectral responses, regression models developed on a first NIR system can rarely be used with spectra...

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Autores: Folch-Fortuny, Abel, Vitale, Raffaele, De Noord, Onno E., Ferrer, Alberto|||0000-0001-7244-5947
Tipo de documento: artigo
Data de publicação:2017
País:España
Recursos:Universitat Politècnica de València (UPV)
Repositório:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Idioma:inglês
OAI Identifier:oai:riunet.upv.es:10251/108346
Acesso em linha:https://riunet.upv.es/handle/10251/108346
Access Level:Acceso aberto
Palavra-chave:Calibration transfer
Joint-Y partial least squares regression (JYPLS)
Multivariate calibration
Missing data imputation
Trimmed scores regression (TSR)
ESTADISTICA E INVESTIGACION OPERATIVA
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spelling Calibration transfer between NIR spectrometers: new proposals and a comparative studyFolch-Fortuny, AbelVitale, RaffaeleDe Noord, Onno E.Ferrer, Alberto|||0000-0001-7244-5947Calibration transferJoint-Y partial least squares regression (JYPLS)Multivariate calibrationMissing data imputationTrimmed scores regression (TSR)ESTADISTICA E INVESTIGACION OPERATIVA[EN] Calibration transfer between near-infrared (NIR) spectrometers is a subtle issue in chemometrics and process industry. In fact, as even very similar instruments may generate strongly different spectral responses, regression models developed on a first NIR system can rarely be used with spectra collected by a second apparatus. In this work, two novel methods to perform calibration transfer between NIR spectrometers are proposed. Both of them permit to exploit the specific relationships between instruments for imputing new unmeasured spectra, which will be then resorted to for building an improved predictive model, suitable for the analysis of future incoming data. Specifically, the two approaches are based on trimmed scores regression and joint-Y partial least squares regression, respectively. The performance of these novel strategies will be assessed and compared to that of well-established techniques such as maximum likelihood principal component analysis and piecewise direct standardisation in two real case studies.This research work was partially supported by the Spanish Ministry of Economy and Competitiveness under the project DPI2014-55276-C5-1R and Shell Global Solutions International B.V. (Amsterdam, the Netherlands).John Wiley & SonsDepartamento de Estadística e Investigación Operativa Aplicadas y CalidadEscuela Técnica Superior de Ingeniería IndustrialGrupo de Ingeniería Estadística Multivariante GIEMMinisterio de Economía y CompetitividadShell Global Solutions International B.V.Repositorio Institucional de la Universitat Politècnica de València Riunet20172017-01-01journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfapplication/pdfhttps://riunet.upv.es/handle/10251/108346reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 DPI2014-55276-C5-1-R BIOLOGIA SINTETICA PARA LA MEJORA EN BIOPRODUCCION: DISEÑO, OPTIMIZACION, MONITORIZACION Y CONTROLopen accesshttp://purl.org/coar/access_right/c_abf2Reserva de todos los derechoshttp://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/1083462026-06-13T07:49:27Z
dc.title.none.fl_str_mv Calibration transfer between NIR spectrometers: new proposals and a comparative study
title Calibration transfer between NIR spectrometers: new proposals and a comparative study
spellingShingle Calibration transfer between NIR spectrometers: new proposals and a comparative study
Folch-Fortuny, Abel
Calibration transfer
Joint-Y partial least squares regression (JYPLS)
Multivariate calibration
Missing data imputation
Trimmed scores regression (TSR)
ESTADISTICA E INVESTIGACION OPERATIVA
title_short Calibration transfer between NIR spectrometers: new proposals and a comparative study
title_full Calibration transfer between NIR spectrometers: new proposals and a comparative study
title_fullStr Calibration transfer between NIR spectrometers: new proposals and a comparative study
title_full_unstemmed Calibration transfer between NIR spectrometers: new proposals and a comparative study
title_sort Calibration transfer between NIR spectrometers: new proposals and a comparative study
dc.creator.none.fl_str_mv Folch-Fortuny, Abel
Vitale, Raffaele
De Noord, Onno E.
Ferrer, Alberto|||0000-0001-7244-5947
author Folch-Fortuny, Abel
author_facet Folch-Fortuny, Abel
Vitale, Raffaele
De Noord, Onno E.
Ferrer, Alberto|||0000-0001-7244-5947
author_role author
author2 Vitale, Raffaele
De Noord, Onno E.
Ferrer, Alberto|||0000-0001-7244-5947
author2_role author
author
author
dc.contributor.none.fl_str_mv Departamento de Estadística e Investigación Operativa Aplicadas y Calidad
Escuela Técnica Superior de Ingeniería Industrial
Grupo de Ingeniería Estadística Multivariante GIEM
Ministerio de Economía y Competitividad
Shell Global Solutions International B.V.
Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv Calibration transfer
Joint-Y partial least squares regression (JYPLS)
Multivariate calibration
Missing data imputation
Trimmed scores regression (TSR)
ESTADISTICA E INVESTIGACION OPERATIVA
topic Calibration transfer
Joint-Y partial least squares regression (JYPLS)
Multivariate calibration
Missing data imputation
Trimmed scores regression (TSR)
ESTADISTICA E INVESTIGACION OPERATIVA
description [EN] Calibration transfer between near-infrared (NIR) spectrometers is a subtle issue in chemometrics and process industry. In fact, as even very similar instruments may generate strongly different spectral responses, regression models developed on a first NIR system can rarely be used with spectra collected by a second apparatus. In this work, two novel methods to perform calibration transfer between NIR spectrometers are proposed. Both of them permit to exploit the specific relationships between instruments for imputing new unmeasured spectra, which will be then resorted to for building an improved predictive model, suitable for the analysis of future incoming data. Specifically, the two approaches are based on trimmed scores regression and joint-Y partial least squares regression, respectively. The performance of these novel strategies will be assessed and compared to that of well-established techniques such as maximum likelihood principal component analysis and piecewise direct standardisation in two real case studies.
publishDate 2017
dc.date.none.fl_str_mv 2017
2017-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://riunet.upv.es/handle/10251/108346
url https://riunet.upv.es/handle/10251/108346
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 DPI2014-55276-C5-1-R BIOLOGIA SINTETICA PARA LA MEJORA EN BIOPRODUCCION: DISEÑO, OPTIMIZACION, MONITORIZACION Y CONTROL
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reserva de todos los derechos
http://rightsstatements.org/vocab/InC/1.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reserva de todos los derechos
http://rightsstatements.org/vocab/InC/1.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv John Wiley & Sons
publisher.none.fl_str_mv John Wiley & Sons
dc.source.none.fl_str_mv reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname:Universitat Politècnica de València (UPV)
instname_str Universitat Politècnica de València (UPV)
reponame_str RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
collection RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300724

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