Nm. Faber et al., RANDOM ERROR BIAS IN PRINCIPAL COMPONENT ANALYSIS .1. DERIVATION OF THEORETICAL PREDICTIONS, Analytica chimica acta, 304(3), 1995, pp. 257-271
Principal component analysis (PCA) or singular value decomposition (SV
D) are multivariate techniques that are often used to compress large d
ata matrices to a relevant size. Subsequent data analysis then proceed
s with the model representation of the data. In this first paper expre
ssions are derived for the prediction of the bias in the eigenvalues o
f PCA and singular values of SVD that results from random measurement
errors in the data. Theoretical expressions for the prediction of this
''random error bias'' have been given in the statistics literature. T
hese results are, however, restricted to the case that only one princi
pal component (PC) is significant. The first objective of this paper i
s to extend these results to an arbitrary number of significant PCs. F
or the generalization Malinowski's error functions are used. A signal-
to-noise ratio is defined that describes the error situation for each
individual PC. This definition enhances the interpretability of the de
rived expressions. The adequacy of the derived expressions is tested b
y a limited Monte Carlo study. This finally leads to the second object
ive of this paper. Simulation results are always restricted to the cla
ss of data that is well represented in the study. Thus rather than giv
ing extensive simulation results it is outlined how the validation and
evaluation of theoretical predictions can proceed for a specific appl
ication in practice.