The sparse Polynomial Chaos expansion: a fully Bayesian approach with joint priors on the coefficients and global selection of terms

Polynomial chaos expansion (PCE) is a versatile tool widely used in uncertainty quantification and machine learning, but its successful application depends strongly on the accuracy and reliability of the resulting PCE-based response surface. High accuracy typically requires high polynomial degrees, demanding many training points especially in high-dimensional problems through the curse of dimensionality. So-called sparse PCE concepts work with a much smaller selection of basis polynomials compared to conventional PCE approaches and can overcome the curse of dimensionality very efficiently, but have to pay specific attention to their strategies of choosing training points. Furthermore, the approximation error resembles an uncertainty that most existing PCE-based methods do not estimate. In this study, we develop and evaluate a fully Bayesian approach to establish the PCE representation via joint shrinkage priors and Markov chain Monte Carlo. The suggested Bayesian PCE model directly aims to solve the two challenges named above: achieving a sparse PCE representation and estimating uncertainty of the PCE itself. The embedded Bayesian regularizing via the joint shrinkage prior allows using higher polynomial degrees for given training points due to its ability to handle underdetermined situations, where the number of considered PCE coefficients could be much larger than the number of available training points. We also explore multiple variable selection methods to construct sparse PCE expansions based on the established Bayesian representations, while globally selecting the most meaningful orthonormal polynomials given the available training data. We demonstrate the advantages of our Bayesian PCE and the corresponding sparsity-inducing methods on several benchmarks.