Rosipal R., Trejo L.J.

A family of regularized least squares regression models in a Reproducing Kernel Hilbert Space is extended by the kernel partial least squares (PLS) regression model. Similar to principal components regression (PCR), PLS is a method based on the projection of input (explanatory) variables to the latent variables (components). However, in contrast to PCR, PLS creates the components by modeling the relationship between input and output variables while maintaining most of the information in the input variables. PLS is useful in situations where the number of explanatory variables exceeds the number of observations and/or a high level of multicollinearity among those variables is assumed. Motivated by this fact we will provide a kernel PLS algorithm for construction of nonlinear regression models in possibly high-dimensional feature spaces. We give the theoretical description of the kernel PLS algorithm and we experimentally compare the algorithm with the existing kernel PCR and kernel ridge regression techniques. We will demonstrate that on the data sets employed kernel PLS achieves the same results as kernel PCR but uses significantly fewer, qualitatively different components.