Robust Experimental Designs for Model Calibration

A computer model can be used for predicting an output only after specifying the values of some unknown physical constants known as calibration parameters. The unknown calibration parameters can be estimated from real data by conducting physical experiments. This paper presents an approach to optimally design such a physical experiment. The problem of optimally designing physical experiment, using a computer model, is similar to the problem of finding optimal design for fitting nonlinear models. However, the problem is more challenging than the existing work on nonlinear optimal design because of the possibility of model discrepancy, that is, the computer model may not be an accurate representation of the true underlying model. Therefore, we propose an optimal design approach that is robust to potential model discrepancies. We show that our designs are better than the commonly used physical experimental designs that do not make use of the information contained in the computer model and other nonlinear optimal designs that ignore potential model discrepancies. We illustrate our approach using a toy example and a real example from industry.Comment: 25 pages, 10 figure

Prediction in regression models with continuous observations

We consider the problem of predicting values of a random process or field satisfying a linear model $y(x)=\theta^\top f(x) + \varepsilon(x)$, where errors $\varepsilon(x)$ are correlated. This is a common problem in kriging, where the case of discrete observations is standard. By focussing on the case of continuous observations, we derive expressions for the best linear unbiased predictors and their mean squared error. Our results are also applicable in the case where the derivatives of the process $y$ are available, and either a response or one of its derivatives need to be predicted. The theoretical results are illustrated by several examples in particular for the popular Mat\'{e}rn $3/2$ kernel

Multivariate Rational Approximation

We present two approaches for computing rational approximations to multivariate functions, motivated by their effectiveness as surrogate models for high-energy physics (HEP) applications. Our first approach builds on the Stieltjes process to efficiently and robustly compute the coefficients of the rational approximation. Our second approach is based on an optimization formulation that allows us to include structural constraints on the rational approximation, resulting in a semi-infinite optimization problem that we solve using an outer approximation approach. We present results for synthetic and real-life HEP data, and we compare the approximation quality of our approaches with that of traditional polynomial approximations