A fast method for robust principal components with applications to chemometrics

When faced with high-dimensional data, one often uses principal component analysis (PCA) for dimension reduction. Classical PCA constructs a set of uncorrelated variables, which correspond to eigenvectors of the sample covariance matrix. However, it is well-known that this covariance matrix is strongly affected by anomalous observations. It is therefore necessary to apply robust methods that are resistant to possible outliers. Li and Chen [J. Am. Stat. Assoc. 80 (1985) 759] proposed a solution based on projection pursuit (PP). The idea is to search for the direction in which the projected observations have the largest robust scale. In subsequent steps, each new direction is constrained to be orthogonal to all previous directions. This method is very well suited for high-dimensional data, even when the number of variables p is higher than the number of observations n. However, the,algorithm of Li and Chen has a high computational cost. In the references [C. Croux, A. Ruiz-Gazen, in COMPSTAT: Proceedings in Computational Statistics 1996, Physica-Verlag, Heidelberg, 1996, pp. 211-217, C. Croux and A. Ruiz-Gazen, High Breakdown Estimators for Principal Components: the Projection-Pursuit Approach Revisited, 2000, submitted for publication.], a computationally much more attractive method is presented, but in high dimensions (large p) it has a numerical accuracy problem and still consumes much computation time. In this paper, we construct a faster two-step algorithm that is more stable numerically. The new algorithm is illustrated on a data set with four dimensions and on two chemometrical data sets with 1200 and 600 dimensions. (C) 2002 Elsevier Science B.V. All rights reserved.