Comments on the NIPALS algorithm
Authors:
- 1 January 1990
- journal article
- research article
- Published by Wiley in Journal of Chemometrics
- Vol. 4 (1) , 97-100
Abstract
The Non‐linear Iterative Partial Least Squares (NIPALS) algorithm is used in principal component analysis to decompose a data matrix into score vectors and eigenvectors (loading vectors) plus a residual matrix. NIPALS starts with some guessed starting vector. The principal components obtained by NIPALS depends on the starting vector; the first principal component could not always be computed. Wold has suggested a starting vector for NIPALS, but we have found that even if this starting vector is used, the first principal component cannot be obtained in all cases. The reason why such a situation occurs is explained by the power method. A simple modification of the original NIPALS procedure to avoid getting smaller eigenvalues is presented.Keywords
This publication has 6 references indexed in Scilit:
- Computer assisted structure–taste studies on sulfamates by pattern recognition method using graph theoretical invariantsJournal of Computational Chemistry, 1988
- Multi-way principal components-and PLS-analysisJournal of Chemometrics, 1987
- A theoretical foundation for the PLS algorithmJournal of Chemometrics, 1987
- Structure-taste correlation of L-aspartyl dipeptides using the SIMCA methodJournal of Medicinal Chemistry, 1986
- Computer-assisted structure/taste studies on sulfamates by pattern recognition methodsAnalytica Chimica Acta, 1986
- Partial least-squares regression: a tutorialAnalytica Chimica Acta, 1986