A new universal resample-stable bootstrap-based stopping criterion for PLS component construction

Abstract

We develop a new robust stopping criterion for partial least squares regression (PLSR) component construction, characterized by a high level of stability. This new criterion is universal since it is suitable both for PLSR and extensions to generalized linear regression (PLSGLR). The criterion is based on a non-parametric bootstrap technique and must be computed algorithmically. It allows the testing of each successive component at a preset significance level α. In order to assess its performance and robustness with respect to various noise levels, we perform dataset simulations in which there is a preset and known number of components. These simulations are carried out for datasets characterized both by n> p, with n the number of subjects and p the number of covariates, as well as for n< p. We then use t-tests to compare the predictive performance of our approach with other common criteria. The stability property is in particular tested through re-sampling processes on a real allelotyping dataset. An important additional conclusion is that this new criterion gives globally better predictive performances than existing ones in both the PLSR and PLSGLR (logistic and poisson) frameworks.