Predictive Approaches for Choosing Hyperparameters in Gaussian Processes

  • Authors:
  • S. Sundararajan;S. S. Keerthi

  • Affiliations:
  • Department of Computer Science and Automation, India Institute of Science, Bangalore 560012, India;Department of Mechanical and Production Engineering, National University of Singapore, Singapore-119260

  • Venue:
  • Neural Computation
  • Year:
  • 2001

Quantified Score

Hi-index 0.00

Visualization

Abstract

Gaussian processes are powerful regression models specified by parameterized mean and covariance functions. Standard approaches to choose these parameters (known by the name hyperparameters) are maximum likelihood and maximum a posteriori. In this article, we propose and investigate predictive approaches based on Geisser's predictive sample reuse (PSR) methodology and the related Stone's cross-validation (CV) methodology. More specifically, we derive results for Geisser's surrogate predictive probability (GPP), Geisser's predictive mean square error (GPE), and the standard CV error and make a comparative study. Within an approximation we arrive at the generalized cross-validation (GCV) and establish its relationship with the GPP and GPE approaches. These approaches are tested on a number of problems. Experimental results show that these approaches are strongly competitive with the existing approaches.