Sara Shashaani

Sara Shashaani, Fatemeh Hashemi, Raghu Pasupathy

We consider unconstrained optimization problems where only "stochastic" estimates of the objective function are observable as replicates from a Monte Carlo oracle. The Monte Carlo oracle is assumed to provide no direct observations of the function gradient. We present ASTRO-DF --- a class of derivative-free trust-region algorithms, where a stochastic local interpolation model is constructed, optimized, and updated iteratively. Function estimation and model construction within ASTRO-DF is adaptive in the sense that the extent of Monte Carlo sampling is determined by continuously monitoring and balancing metrics of sampling error (or variance) and structural error (or model bias) within ASTRO-DF. Such balancing of errors is designed to ensure that Monte Carlo effort within ASTRO-DF is sensitive to algorithm trajectory, sampling more whenever an iterate is inferred to be close to a critical point and less when far away. We demonstrate the almost-sure convergence of ASTRO-DF's iterates to a first-order critical point when using linear or quadratic stochastic interpolation models. The question of using more complicated models, e.g., regression or stochastic kriging, in combination with adaptive sampling is worth further investigation and will benefit from the methods of proof presented here. We speculate that ASTRO-DF's iterates achieve the canonical Monte Carlo convergence rate, although a proof remains elusive.

Yongseok Jeon, Sara Shashaani

We concern computer model calibration problem where the goal is to find the parameters that minimize the discrepancy between the multivariate real-world and computer model outputs. We propose to solve an approximation using signed residuals that enables a root finding approach and an accelerated search. We characterize the distance of the solutions to the approximation from the solutions of the original problem for the strongly-convex objective functions, showing that it depends on variability of the signed residuals across output dimensions, as wells as their variance and covariance. We develop a metamodel-based root finding framework under kriging and stochastic kriging that is augmented with a sequential search space reduction. We derive three new acquisition functions for finding roots of the approximate problem along with their derivatives usable by first-order solvers. Compared to kriging, stochastic kriging accounts for observational noise, promoting more robust solutions. We also analyze the case where a root may not exist. Our analysis of the asymptotic behavior in this context show that, since existence of roots in the approximation problem may not be known a priori, using new acquisition functions will not compromise the outcome. Numerical experiments on data-driven and physics-based examples demonstrate significant computational gains over standard calibration approaches.