Nonlinear Partial Least Squares

We propose a new nonparametric regression method for high-dimensional data, nonlinear partial least squares (NLPLS). NLPLS is motivated by projection-based regression methods, e.g., partial least squares (PLS), projection pursuit (PPR), and feedforward neural networks. The model takes the form of a composition of two functions. The first function in the composition projects the predictor variables onto a lower-dimensional curve or surface yielding scores, and the second predicts the response variable from the scores. We implement NLPLS with feedforward neural networks. NLPLS will often produce a more parsimonious model (fewer score vectors) than projection-based methods, and the model is well suited for detecting outliers and future covariates requiring extrapolation. The scores are also shown to have useful interpretations. We also extend the model for multiple response variables and discuss situations when multiple response variab..