Computational Science Laboratory
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The mission of the Computational Science Laboratory (CSL) is to
develop innovative computational solutions for complex real-world problems, and to
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Browsing Computational Science Laboratory by Subject "0802 Computation Theory and Mathematics"
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- Linearly implicit GARK schemesSandu, Adrian; Guenther, Michael; Roberts, Steven (Elsevier, 2021-03-01)Systems driven by multiple physical processes are central to many areas of science and engineering. Time discretization of multiphysics systems is challenging, since different processes have different levels of stiffness and characteristic time scales. The multimethod approach discretizes each physical process with an appropriate numerical method; the methods are coupled appropriately such that the overall solution has the desired accuracy and stability properties. The authors developed the general-structure additive Runge–Kutta (GARK) framework, which constructs multimethods based on Runge–Kutta schemes. This paper constructs the new GARK-ROS/GARK-ROW families of multimethods based on linearly implicit Rosenbrock/Rosenbrock-W schemes. For ordinary differential equation models, we develop a general order condition theory for linearly implicit methods with any number of partitions, using exact or approximate Jacobians. We generalize the order condition theory to two-way partitioned index-1 differential-algebraic equations. Applications of the framework include decoupled linearly implicit, linearly implicit/explicit, and linearly implicit/implicit methods. Practical GARK-ROS and GARK-ROW schemes of order up to four are constructed.
- Machine learning based algorithms for uncertainty quantification in numerical weather prediction modelsMoosavi, Azam; Rao, Vishwas; Sandu, Adrian (Elsevier, 2021-03-01)Complex numerical weather prediction models incorporate a variety of physical processes, each described by multiple alternative physical schemes with specific parameters. The selection of the physical schemes and the choice of the corresponding physical parameters during model configuration can significantly impact the accuracy of model forecasts. There is no combination of physical schemes that works best for all times, at all locations, and under all conditions. It is therefore of considerable interest to understand the interplay between the choice of physics and the accuracy of the resulting forecasts under different conditions. This paper demonstrates the use of machine learning techniques to study the uncertainty in numerical weather prediction models due to the interaction of multiple physical processes. The first problem addressed herein is the estimation of systematic model errors in output quantities of interest at future times, and the use of this information to improve the model forecasts. The second problem considered is the identification of those specific physical processes that contribute most to the forecast uncertainty in the quantity of interest under specified meteorological conditions. In order to address these questions we employ two machine learning approaches, random forests and artificial neural networks. The discrepancies between model results and observations at past times are used to learn the relationships between the choice of physical processes and the resulting forecast errors. Numerical experiments are carried out with the Weather Research and Forecasting (WRF) model. The output quantity of interest is the model precipitation, a variable that is both extremely important and very challenging to forecast. The physical processes under consideration include various micro-physics schemes, cumulus parameterizations, short wave, and long wave radiation schemes. The experiments demonstrate the strong potential of machine learning approaches to aid the study of model errors.
- Partitioned exponential methods for coupled multiphysics systemsNarayanamurthi, Mahesh; Sandu, Adrian (Elsevier, 2021-03-01)Multiphysics problems involving two or more coupled physical phenomena are ubiquitous in science and engineering. This work develops a new partitioned exponential approach for the time integration of multiphysics problems. After a possible semi-discretization in space, the class of problems under consideration is modeled by a system of ordinary differential equations where the right-hand side is a summation of two component functions, each corresponding to a given set of physical processes. The partitioned-exponential methods proposed herein evolve each component of the system via an exponential integrator, and information between partitions is exchanged via coupling terms. The traditional approach to constructing exponential methods, based on the variation-of-constants formula, is not directly applicable to partitioned systems. Rather, our approach to developing new partitioned-exponential families is based on a general-structure additive formulation of the schemes. Two method formulations are considered, one based on a linear-nonlinear splitting of the right hand component functions, and another based on approximate Jacobians. The paper develops classical (non-stiff) order conditions theory for partitioned exponential schemes based on particular families of T-trees and B-series theory. Several practical methods of third order are constructed that extend the Rosenbrock-type and EPIRK families of exponential integrators. Several implementation optimizations specific to the application of these methods to reaction-diffusion systems are also discussed. Numerical experiments reveal that the new partitioned-exponential methods can perform better than traditional unpartitioned exponential methods on some problems.