Predictive App roaches for Choosing Hyperparameters in Gaussian Processes

Gaussian Processes are powerful regression models specified by parametrized mean and covariance functions. Standard approaches to estimate these parameters (known by the name Hyperparameters) are Maximum Likelihood (ML) and Maximum APosterior (MAP) approaches. In this paper, we propose and investigate predictive approaches, namely, maximization of Geisser's Surrogate Predictive Probability (GPP) and minimization of mean square error with respect to GPP (referred to as Geisser's Predictive mean square Error (GPE)) to estimate the hyperparameters. We also derive results for the standard Cross-Validation (CV) error and make a comparison. These approaches are tested on a number of problems and experimental results show that these approaches are strongly competitive to existing approaches. 1 Introduction Gaussian Processes (GPs) are powerful regression models that have gained popularity recently, though they have appeared in different forms in the literature for years.