gaussian processes with built in dimensionality reduction

• DOI: 10.48550/arxiv.1602.04550
• Publication Date: 2016-09-01
• Authors: Marcial Gonzalez; Ilias Bilionis; Rohit Tripathy
• Keywords: FOS: Physical sciences; Computational Physics (physics.comp-ph); 0101 mathematics; Physics - Computational Physics; 01 natural sciences

37 pages, 20 figures<br/>The prohibitive cost of performing Uncertainty Quantification (UQ) tasks with a very large number of input parameters can be addressed, if the response exhibits some special structure that can be discovered and exploited. Several physical responses exhibit a special structure known as an active subspace (AS), a linear manifold of the stochastic space characterized by maximal response variation. The idea is that one should first identify this low dimensional manifold, project the high-dimensional input onto it, and then link the projection to the output. In this work, we develop a probabilistic version of AS which is gradient-free and robust to observational noise. Our approach relies on a novel Gaussian process regression with built-in dimensionality reduction with the AS represented as an orthogonal projection matrix that serves as yet another covariance function hyper-parameter to be estimated from the data. To train the model, we design a two-step maximum likelihood optimization procedure that ensures the orthogonality of the projection matrix by exploiting recent results on the Stiefel manifold. The additional benefit of our probabilistic formulation is that it allows us to select the dimensionality of the AS via the Bayesian information criterion. We validate our approach by showing that it can discover the right AS in synthetic examples without gradient information using both noiseless and noisy observations. We demonstrate that our method is able to discover the same AS as the classical approach in a challenging one-hundred-dimensional problem involving an elliptic stochastic partial differential equation with random conductivity. Finally, we use our approach to study the effect of geometric and material uncertainties in the propagation of solitary waves in a one-dimensional granular system.<br/>