Optimal Bounds on Nonlinear Partial Differential Equations in Model Certification, Validation, and Experimental Design
M. McKerns (1), F. J. Alexander (2), K. S. Hickmann (3), T. J., Sullivan (4), and D. E. Vaughan (3) ((1) Information Sciences, Los Alamos, National Laboratory, (2) Computational Science Initiative, Brookhaven, National Laboratory, (3) Verification, Analysis, Los Alamos National

TL;DR
This paper applies the Optimal Uncertainty Quantification (OUQ) theory to PDE-governed systems, demonstrating rigorous model validation and optimal design with improved accuracy and efficiency over traditional methods.
Contribution
It introduces a novel application of OUQ to complex PDE systems, enabling rigorous bounds and efficient validation for physical models.
Findings
OUQ provides tighter bounds than Monte Carlo methods.
The approach reduces computational cost for PDE uncertainty quantification.
Demonstrated on Burgers' equation for shock location prediction.
Abstract
We demonstrate that the recently developed Optimal Uncertainty Quantification (OUQ) theory, combined with recent software enabling fast global solutions of constrained non-convex optimization problems, provides a methodology for rigorous model certification, validation, and optimal design under uncertainty. In particular, we show the utility of the OUQ approach to understanding the behavior of a system that is governed by a partial differential equation -- Burgers' equation. We solve the problem of predicting shock location when we only know bounds on viscosity and on the initial conditions. Through this example, we demonstrate the potential to apply OUQ to complex physical systems, such as systems governed by coupled partial differential equations. We compare our results to those obtained using a standard Monte Carlo approach, and show that OUQ provides more accurate bounds at a lower…
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