Global Sensitivity Analysis for Mixture Experiments

A mixture experiment is characterized by having two or more inputs that are specified as a percentage contribution to a total amount of material. In such situations, the input variables are correlated because they must sum to one. Consequently, additional care must be taken when fitting statistical models or visualizing the effect of one or more inputs on the response. In this article, we consider the use of a Gaussian process to model the output from a computer simulator taking a mixture input. We introduce a procedure to perform global sensitivity analysis of the code output providing main effects and revealing interactions. The resulting methodology is illustrated using a function with analytically tractable results for comparison, a chemical compositional simulator, and a physical experiment. Supplementary materials providing assistance with implementing this methodology are available online.