Sensitivity-Driven Adaptive Construction of Reduced-space Surrogates


Surrogate modeling has become a critical component of scientific computing in situations involving expensive model evaluations. However, training a surrogate model can be remarkably challenging and even computationally prohibitive in the case of intensive simulations and large-dimensional systems. We develop a systematic approach for surrogate model construction in reduced input parameter spaces. A sparse set of model evaluations in the original input space is used to approximate derivative based global sensitivity measures (DGSMs) for individual uncertain inputs of the model. An iterative screening procedure is developed that exploits DGSM estimates in order to identify the unimportant inputs. The screening procedure forms an integral part of an overall framework for adaptive construction of a surrogate in the reduced space. The framework is tested for computational efficiency through an initial implementation in simple test cases such as the classic Borehole function, and a semilinear elliptic PDE with a random source function. The framework is then deployed for a realistic application from chemical kinetics, where we study the ignition delay in an H2/O2 reaction mechanism with 19 and 33 uncertain rate-controlling parameters. It is observed that significant computational gains can be attained by constructing accurate low-dimensional surrogates using the proposed framework.

Journal of Scientific Computing