Computational Science Laboratory
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The mission of the Computational Science Laboratory (CSL) is to develop innovative computational solutions for complex realworld problems, and to foster a productive research and education environment emphasizing collaboration and innovation.
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Scholarly Works, Computational Science Laboratory [131]
Research articles, presentations, and other scholarship
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Parametric formulations of spatial joints with clearances: A nonsmooth dynamics approach
(Virginia Tech, 20230515)The conventional approach of simulating multibody dynamic systems treats the joint interfaces as ideal, that means that the bodies are in absolute alignment with each other in the desired relative directions of motion. ... 
Linearly Implicit Multistep Methods for Time Integration
(Society for Industrial & Applied Mathematics (SIAM), 202212)Time integration methods for solving initial value problems are an important component of many scientific and engineering simulations. Implicit time integrators are desirable for their stability properties, which significantly ... 
A Fast TimeStepping Strategy for Dynamical Systems Equipped With a Surrogate Model
(Society for Industrial & Applied Mathematics (SIAM), 20220101)Simulation of complex dynamical systems arising in many applications is computationally challenging due to their size and complexity. Model order reduction, machine learning, and other types of surrogate modeling techniques ... 
A stochastic covariance shrinkage approach to particle rejuvenation in the ensemble transform particle filter
(Copernicus, 20220622)Rejuvenation in particle filters is necessary to prevent the collapse of the weights when the number of particles is insufficient to properly sample the highprobability regions of the state space. Rejuvenation is often ... 
Multifidelity Ensemble Kalman Filtering Using Surrogate Models Defined by TheoryGuided Autoencoders
(Frontiers, 20220602)Data assimilation is a Bayesian inference process that obtains an enhanced understanding of a physical system of interest by fusing information from an inexact physicsbased model, and from noisy sparse observations of ... 
Reinforcement Learning for Selfadapting Time Discretizations of Complex Systems
(Virginia Tech, 20210827)The overarching goal of this project is to develop intelligent, selfadapting numerical algorithms for the time discretization of complex realworld problems with QLearning methodologies. The specific application is ... 
Combining Datadriven and Theoryguided Models in Ensemble Data Assimilation
(Virginia Tech, 20220823)There once was a dream that datadriven models would replace their theoryguided counterparts. We have awoken from this dream. We now know that data cannot replace theory. Datadriven models still have their advantages, ... 
Linearly Implicit General Linear Methods
(20211201)Linearly implicit Runge–Kutta methods provide a fitting balance of implicit treat ment of stiff systems and computational cost. In this paper we extend the class of linearly implicit Runge–Kutta methods to include multistage ... 
Physicsinformed neural networks for PDEconstrained optimization and control
(20220506)A fundamental problem of science is designing optimal control policies that manipulate a given environment into producing the desired outcome. Control PhysicsInformed Neural Networks simultaneously solve a given system ... 
Linearly implicit GARK schemes
(Elsevier, 20210301)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 ... 
Machine learning based algorithms for uncertainty quantification in numerical weather prediction models
(Elsevier, 20210301)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 ... 
Partitioned exponential methods for coupled multiphysics systems
(Elsevier, 20210301)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. ... 
Symplectic GARK methods for Hamiltonian systems
(20210306)Generalized Additive RungeKutta schemes have shown to be a suitable tool for solving ordinary differential equations with additively partitioned righthand sides. This work generalizes these GARK schemes to symplectic ... 
Subspace adaptivity in RosenbrockKrylov methods for the time integration of initial value problems
(Elsevier, 20210315)The Rosenbrock–Krylov family of time integration schemes is an extension of RosenbrockW methods that employs a specific Krylov based approximation of the linear system solutions arising within each stage of the integrator. ... 
Alternating directions implicit integration in a general linear method framework
(Elsevier, 20210515)Alternating Directions Implicit (ADI) integration is an operator splitting approach to solve parabolic and elliptic partial differential equations in multiple dimensions based on solving sequentially a set of related ... 
Multirate implicit Euler schemes for a class of differentialalgebraic equations of index1
(Elsevier, 20210515)Systems of differential equations which consist of subsystems with widely different dynamical behaviour can be integrated by multirate time integration schemes to increase the efficiency. These schemes allow the usage of ... 
Investigation of Nonlinear Model Order Reduction of the Quasigeostrophic Equations through a PhysicsInformed Convolutional Autoencoder
(20210827)Reduced order modeling (ROM) is a field of techniques that approximates complex physicsbased models of realworld processes by inexpensive surrogates that capture important dynamical characteristics with a smaller number ... 
A Stochastic Covariance Shrinkage Approach to Particle Rejuvenation in the Ensemble Transform Particle Filter
(20210920)Rejuvenation in particle filters is necessary to prevent the collapse of the weights when the number of particles is insufficient to sample the high probability regions of the state space. Rejuvenation is often implemented ... 
AdjointMatching Neural Network Surrogates for Fast 4DVar Data Assimilation
(20211116)The data assimilation procedures used in many operational numerical weather forecasting systems are based around variants of the 4DVar algorithm. The cost of solving the 4DVar problem is dominated by the cost of forward ...