Delaunay triangulation method for multivariate calibration


  • Jin, L. , Fernández Pierna, J. A. , Xu, Q. , Wahl, F. , De Noord, O. , Saby, C. & Massart, D. (2003). Delaunay triangulation method for multivariate calibration. Anal. Chim. Acta, 488: (1), 1-14.
Type Journal Article
Year 2003
Title Delaunay triangulation method for multivariate calibration
Journal Anal. Chim. Acta
Label U15-0532-fernandez-2003
Recnumber 392
Volume 488
Issue 1
Pages 1-14
Date 17/07/2003
Endnote Keywords multivariate calibration, local methods, delaunay triangulation, simplexes, prediction|locally weighted regression|cross-validation|nir data|models|prediction|sets|
Abstract The Delaunay triangulation (DT) method is proposed as a new local multivariate calibration method. DT was developed within computational geometry, and it is shown that it has potential for applications in analytical chemistry, such as multivariate calibration. The study compares the performance of the DT method with the global methods principal component regression (PCR) and partial least squares (PLS) and the local methods locally weighted regression (LWR) and the law of mixtures (LM) method. For the datasets studied the DT method gives similar results when the root mean square error for prediction (RMSEP) value is compared. However, the DT method requires fewer components than PCR and PLS. (C) 2003 Elsevier Science B.V. All rights reserved.
Notes EnglishArticleANAL CHIM ACTA701JP
Author address Fernandez Pierna Juan Antonio, Quality Department of Agro-food Products, Walloon Agricultural Research Centre (CRA-W), Chaussée de Namur, 24, B-5030 Gembloux, fernandez@cra.wallonie.be
Fichier U15-0532-fernandez-2003.pdf
Authors Jin, L. , Fernández Pierna, J. A. , Xu, Q. , Wahl, F. , De Noord, O. , Saby, C. & Massart, D.