Robust Multivariate Methods in Chemometrics

Abstract

This article presents an introduction to robust statistics with applications of a chemometric nature. Following a description of the basic ideas and concepts behind robust statistics, including how robust estimators can be conceived, the article builds up to the construction (and use) of robust alternatives for some methods for multivariate analysis frequently used in chemometrics, such as principal component analysis and partial least squares. The article then provides an insight into how these robust methods can be used or extended to classification. To conclude, the issue of validation of the results is being addressed: it is shown how uncertainty statements associated with robust estimates, can be obtained.