In this thesis, two distinct problems in data-driven computational science are considered. The main problem of interest is the multiobjective optimization problem, where the tradeoff surface (called the Pareto front) between multiple conflicting objectives must be approximated in order to identify designs that balance real-world tradeoffs. In order to solve multiobjective optimization problems that are derived from computationally expensive blackbox functions, such as engineering design optimization problems, several methodologies are combined, including surrogate modeling, trust region methods, and adaptive weighting. The result is a numerical software package that finds approximately Pareto optimal solutions that are evenly distributed across the Pareto front, using minimal cost function evaluations. The second problem of interest is the closely related problem of multivariate interpolation, where an unknown response surface representing an underlying phenomenon is approximated by finding a function that exactly matches available data. To solve the interpolation problem, a novel algorithm is proposed for computing only a sparse subset of the elements in the Delaunay triangulation, as needed to compute the Delaunay interpolant. For high-dimensional data, this reduces the time and space complexity of Delaunay interpolation from exponential time to polynomial time in practice. For each of the above problems, both serial and parallel implementations are described. Additionally, both solutions are demonstrated on real-world problems in computer system performance modeling. / Doctor of Philosophy / Science and engineering are full of multiobjective tradeoff problems. For example, a portfolio manager may seek to build a financial portfolio with low risk, high return rates, and minimal transaction fees; an aircraft engineer may seek a design that maximizes lift, minimizes drag force, and minimizes aircraft weight; a chemist may seek a catalyst with low viscosity, low production costs, and high effective yield; or a computational scientist may seek to fit a numerical model that minimizes the fit error while also minimizing a regularization term that leverages domain knowledge. Often, these criteria are conflicting, meaning that improved performance by one criterion must be at the expense of decreased performance in another criterion. The solution to a multiobjective optimization problem allows decision makers to balance the inherent tradeoff between conflicting objectives. A related problem is the multivariate interpolation problem, where the goal is to predict the outcome of an event based on a database of past observations, while exactly matching all observations in that database. Multivariate interpolation problems are equally as prevalent and impactful as multiobjective optimization problems. For example, a pharmaceutical company may seek a prediction for the costs and effects of a proposed drug; an aerospace engineer may seek a prediction for the lift and drag of a new aircraft design; or a search engine may seek a prediction for the classification of an unlabeled image. Delaunay interpolation offers a unique solution to this problem, backed by decades of rigorous theory and analytical error bounds, but does not scale to high-dimensional "big data" problems. In this thesis, novel algorithms and software are proposed for solving both of these extremely difficult problems.
| Identifer | oai:union.ndltd.org:VTETD/oai:vtechworks.lib.vt.edu:10919/98915 |
| Date | 15 June 2020 |
| Creators | Chang, Tyler Hunter |
| Contributors | Computer Science, Watson, Layne T., Trosset, Michael W., Butt, Ali R., Beattie, Christopher A., Raghvendra, Sharath |
| Publisher | Virginia Tech |
| Source Sets | Virginia Tech Theses and Dissertation |
| Detected Language | English |
| Type | Dissertation |
| Format | ETD, application/pdf |
| Rights | In Copyright, http://rightsstatements.org/vocab/InC/1.0/ |
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