Gaussian process provides a principled and flexible approach for modeling the response surface or the latent function in many areas, including machine learning, statistics and computer experiment. In literature, Gaussian process models have already demonstrated their effectiveness and usefulness in a variety of applications. In this dissertation, we mainly focus...
The heart of computational materials science lies in providing fundamental insights and understanding of materials behavior and properties across different scales. The significance of this task is highlighted by the Materials Genome Initiative and the emergence of computational tools and frameworks such as materials by design, microstructure sensitive design, and...
Computer simulation experiments are commonly used as an inexpensive alternative to real-world experiments to form a metamodel that approximates the input-output relationship of the real-world experiment. The metamodel can be useful for decision making and making predictions for inputs that have not been evaluated yet since it can be evaluated...