On the use of kriging models to approximate deterministic computer models

The use of kriging models for approximation and metamodel-based design and optimization has been steadily on the rise in the past decade. The widespread usage of kriging models appears to be hampered by (1) the lack of guidance in selecting the appropriate form of the kriging model, (2) computationally efficient algorithms for estimating the model's parameters, and (3) an effective method to assess the resulting model's quality. In this paper, we compare (1) Maximum Likelihood Estimation (MLE) and Cross-Validation (CV) parameter estimation methods for selecting a kriging model's parameters given its form and (2) and an R² of prediction and the corrected Akaike Information Criterion for assessing the quality of the created kriging model, permitting the comparison of different forms of a kriging model. These methods are demonstrated with six test problems. Finally, different forms of kriging models are examined to determine if more complex forms are more accurate and easier to fit than simple forms of kriging models for approximating computer models.