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An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra

Variable selection is a critical step for spectrum modeling. In this study, a new method of variable interval selection based on random frog (RF), known as Interval Selection based on Random Frog (ISRF), is developed. In the ISRF algorithm, RF is used to search the most likely informative variables...

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Detalles Bibliográficos
Autores principales: Sun, Jingjing, Yang, Wude, Feng, Meichen, Liu, Qifang, Kubar, Muhammad Saleem
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052783/
https://www.ncbi.nlm.nih.gov/pubmed/35498850
http://dx.doi.org/10.1039/d0ra00922a
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author Sun, Jingjing
Yang, Wude
Feng, Meichen
Liu, Qifang
Kubar, Muhammad Saleem
author_facet Sun, Jingjing
Yang, Wude
Feng, Meichen
Liu, Qifang
Kubar, Muhammad Saleem
author_sort Sun, Jingjing
collection PubMed
description Variable selection is a critical step for spectrum modeling. In this study, a new method of variable interval selection based on random frog (RF), known as Interval Selection based on Random Frog (ISRF), is developed. In the ISRF algorithm, RF is used to search the most likely informative variables and then, a local search is applied to expand the interval width of the informative variables. Through multiple runs and visualization of the results, the best informative interval variables are obtained. This method was tested on three near infrared (NIR) datasets. Four variable selection methods, namely, genetic algorithm PLS (GA-PLS), random frog, interval random frog (iRF) and interval variable iterative space shrinkage approach (iVISSA) were used for comparison. The results show that the proposed method is very efficient to find the best interval variables and improve the model's prediction performance and interpretation.
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spelling pubmed-90527832022-04-29 An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra Sun, Jingjing Yang, Wude Feng, Meichen Liu, Qifang Kubar, Muhammad Saleem RSC Adv Chemistry Variable selection is a critical step for spectrum modeling. In this study, a new method of variable interval selection based on random frog (RF), known as Interval Selection based on Random Frog (ISRF), is developed. In the ISRF algorithm, RF is used to search the most likely informative variables and then, a local search is applied to expand the interval width of the informative variables. Through multiple runs and visualization of the results, the best informative interval variables are obtained. This method was tested on three near infrared (NIR) datasets. Four variable selection methods, namely, genetic algorithm PLS (GA-PLS), random frog, interval random frog (iRF) and interval variable iterative space shrinkage approach (iVISSA) were used for comparison. The results show that the proposed method is very efficient to find the best interval variables and improve the model's prediction performance and interpretation. The Royal Society of Chemistry 2020-04-23 /pmc/articles/PMC9052783/ /pubmed/35498850 http://dx.doi.org/10.1039/d0ra00922a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Sun, Jingjing
Yang, Wude
Feng, Meichen
Liu, Qifang
Kubar, Muhammad Saleem
An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title_full An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title_fullStr An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title_full_unstemmed An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title_short An efficient variable selection method based on random frog for the multivariate calibration of NIR spectra
title_sort efficient variable selection method based on random frog for the multivariate calibration of nir spectra
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052783/
https://www.ncbi.nlm.nih.gov/pubmed/35498850
http://dx.doi.org/10.1039/d0ra00922a
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