Johan A. Westerhuis

J. Camacho, A. K. Smilde, E. Saccenti et al.

Sparse Principal Component Analysis (sPCA) is a popular matrix factorization approach based on Principal Component Analysis (PCA) that combines variance maximization and sparsity with the ultimate goal of improving data interpretation. When moving from PCA to sPCA, there are a number of implications that the practitioner needs to be aware of. A relevant one is that scores and loadings in sPCA may not be orthogonal. For this reason, the traditional way of computing scores, residuals and variance explained that is used in the classical PCA cannot directly be applied to sPCA models. This also affects how sPCA components should be visualized. In this paper we illustrate this problem both theoretically and numerically using simulations for several state-of-the-art sPCA algorithms, and provide proper computation of the different elements mentioned. We show that sPCA approaches present disparate and limited performance when modeling noise-free, sparse data. In a follow-up paper, we discuss the theoretical properties that lead to this problem.

Yipeng Song, Johan A. Westerhuis, Age K. Smilde

Multivariate binary data is becoming abundant in current biological research. Logistic principal component analysis (PCA) is one of the commonly used tools to explore the relationships inside a multivariate binary data set by exploiting the underlying low rank structure. We re-expressed the logistic PCA model based on the latent variable interpretation of the generalized linear model on binary data. The multivariate binary data set is assumed to be the sign observation of an unobserved quantitative data set, on which a low rank structure is assumed to exist. However, the standard logistic PCA model (using exact low rank constraint) is prone to overfitting, which could lead to divergence of some estimated parameters towards infinity. We propose to fit a logistic PCA model through non-convex singular value thresholding to alleviate the overfitting issue. An efficient Majorization-Minimization algorithm is implemented to fit the model and a missing value based cross validation (CV) procedure is introduced for the model selection. Our experiments on realistic simulations of imbalanced binary data and low signal to noise ratio show that the CV error based model selection procedure is successful in selecting the proposed model. Furthermore, the selected model demonstrates superior performance in recovering the underlying low rank structure compared to models with convex nuclear norm penalty and exact low rank constraint. A binary copy number aberration data set is used to illustrate the proposed methodology in practice.