A review of variable selection methods in Partial Least Squares Regression

Mehmood, Tahir; Liland, Kristian Hovde; Snipen, Lars; Sæbø, Solve

doi:10.1016/j.chemolab.2012.07.010

Cited by 1,252 publications

(830 citation statements)

References 63 publications

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“…It is particularly useful when the need is to predict a set of dependent variables (Y) from a large set of independent variables (X). Among the data mining techniques, PLS regression is considered effective for providing information on the relative importance of predictors (Mehmood et al 2012), but it does not provide a robust way of testing significance of the coefficients for the predictors. The variable importance in the projections (VIP) scores are used to rank the importance of the predictors, and-since the average of the squared VIP scores equals 1-variables with scores >1 were considered to be the most important (Ferretti et al 2014a).…”

Section: Methodsmentioning

confidence: 99%

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Variables related to nitrogen deposition improve defoliation models for European forests

Ferretti¹,

Calderisi²,

Marchetto³

et al. 2015

Annals of Forest Science

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Contribution of the co-authors Marco Ferretti: co-designing and supervising the work, and co-writing the paper. Marco Calderisi: designing the statistical analyses. Peter Waldner: co-designing the work, compiling the data set in collaboration with national experts and revising the paper. Aldo Marchetto: co-designing the work, performing the quality control, running the statistical analyses and co-writing the paper. Anne Thimonier, Matthiew Jonard, Nathalie Cools, Pasi Rautio, Nicholas Clarke, Karin Hansen, Päivi Merilä and Nenad Potočić: contributing important parts of the discussion of the results. Science (2015) 72:897-906 DOI 10.1007 cation resulted important factors (although with possible diverse effect) in explaining the variability of F 25 among plots.

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Section: Methodsmentioning

confidence: 99%

“…Partial least square (PLS) regression (Wold et al 2001;Mehmood et al 2012) was used for statistical modelling of defoliation (Ferretti et al 2014a). PLS regression generalises and combines features from principal component analysis (PCA) and multiple linear regression (MLR).…”

Section: Methodsmentioning

confidence: 99%

Variables related to nitrogen deposition improve defoliation models for European forests

Ferretti¹,

Calderisi²,

Marchetto³

et al. 2015

Annals of Forest Science

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“…A chemometric partial least squares discriminant (PLS-DA) analysis was performed using the m/z signal/intensities of the samples from the two groups 52 . The models gave rise to a good classification outcome as shown in the score plots (Figure 2).…”

Section: Resultsmentioning

confidence: 99%

Direct infussion Electrospray Mass Spectrometry as a new non-invasive tool for serum metabolomics in induced-stress subjects

et al. 2015

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-Background and Objectives: Nanotechnology is becoming a tool for the study of changes in the metabolome of patients in different states of disease. Analytical techniques such as Electrospray Mass Spectrometry, allow to find biomarkers by determination of metabolites. Nowadays, there is not an objective analytical approach for diagnosis of stress. Thus, the objectives of this pilot work are: Describing the development of a fast, direct and non-invasive analytical protocol, applied for the first time, to study the metabolomic profile of patient s different states through a disease. Testing the protocol in a pilot sample with non-stressed and stress-induced subjects.Methods: High resolution direct infusion electrospray mass spectrometry has been used to analyse the metabolome of blood samples (0.3 ml) from six subjects.Results: Data prove a clear discrimination between non-stressed and stressed states in the metabolome. Data showed different predominant metabolites in both states. Results allow objective characterization of the state of the patient.Conclusions: Although this is a pilot study, the method was successful in discriminating different metabolites in non-stressed and stress-induced subjects.

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“…O "cruzamento" entre os modelos e a mutação ocorre diversas vezes e ao fim do processo obtém-se um modelo mais ajustado a função-resposta. 34  Métodos Embedded: são baseados em um único processo iterativo, como exemplo o iPLS. No iPLS o espectro é subdividido em faixas equidistantes e em seguida são obtidos modelos PLS de cada faixa.…”

Section: Introductionunclassified

“…O modelo final é construído com as melhores faixas. 34 Um método de filtro, selecionando as variáveis importantes pelo gráfico de coeficientes de regressão no programa The Unscrambler® 9.5, foi utilizado neste trabalho.…”

Section: Introductionunclassified

Metabolomics Based on¹H NMR and Partial Least Squares-Discriminant Analysis

Baddini¹,

Netto²,

Teixeira³

2014

Revista Virtual De Química

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Abstract:The metabolomic techniques are powerful tools to explain and predict phenotypes in biological systems. In this area, chemometric methods are employed in order to extract information from complex analytical data. Among the instrumental methods that allow obtaining analytical and chemometric methods, proton nuclear magnetic resonance ( 1 H NMR) and partial least squares discriminant analysis (PLS-DA) are the most used. This paper describes some practical issues in pretreatment 1 H NMR spectra and the use of PLS-DA with and application for differentiation of two species of brown algae, Dictyota ciliolata e D. crenulata. Keywords:Metabolomics; PLS-DA; 1 H NMR; chemotaxonomy; brown algae; Dictyota. ResumoAs técnicas de metabolômica são ferramentas poderosas para explicar e prever fenótipos em sistemas biológicos. Nesta área, os métodos quimiométricos são empregados para extrair informações de dados analíticos complexos. Dentre os métodos instrumentais para obtenção dos dados analíticos e os métodos quimiométricos, os mais utilizados são ressonância magnética nuclear de hidrogênio (RMN de 1 H) e o método dos mínimos quadrados parciais discriminante (partial least squares-discriminant analysis, PLS-DA). O presente trabalho descreve alguns aspectos práticos do processamento de espectros de RMN de 1 H e da utilização de PLS-DA com aplicação para diferenciação de duas espécies de algas pardas, Dictyota ciliolata e D. crenulata. Palavras-chave:Metabolômica; PLS-DA; RMN de 1 H; quimiotaxonomia; algas pardas; Dictyota.

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A review of variable selection methods in Partial Least Squares Regression

Cited by 1,252 publications

References 63 publications

Variables related to nitrogen deposition improve defoliation models for European forests

Variables related to nitrogen deposition improve defoliation models for European forests

Direct infussion Electrospray Mass Spectrometry as a new non-invasive tool for serum metabolomics in induced-stress subjects

Metabolomics Based on¹H NMR and Partial Least Squares-Discriminant Analysis

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A review of variable selection methods in Partial Least Squares Regression

Cited by 1,252 publications

References 63 publications

Variables related to nitrogen deposition improve defoliation models for European forests

Variables related to nitrogen deposition improve defoliation models for European forests

Direct infussion Electrospray Mass Spectrometry as a new non-invasive tool for serum metabolomics in induced-stress subjects

Metabolomics Based on1H NMR and Partial Least Squares-Discriminant Analysis

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Metabolomics Based on¹H NMR and Partial Least Squares-Discriminant Analysis