Paul Tranquilli

Paul Tranquilli, Adrian Sandu

This paper develops a new class of Rosenbrock-type integrators based on a Krylov space solution of the linear systems. The new family, called Rosenbrock-Krylov (Rosenbrock-K), is well suited for solving large scale systems of ODEs or semi-discrete PDEs. The time discretization and the Krylov space approximation are treated as a single computational process, and the Krylov space properties are an integral part of the new Rosenbrock-K order condition theory developed herein. Consequently, Rosenbrock-K methods require a small number of basis vectors determined solely by the temporal order of accuracy. The subspace size is independent of the ODE under consideration, and there is no need to monitor the errors in linear system solutions at each stage. Numerical results show favorable properties of Rosenbrock-K methods when compared to current Rosenbrock and Rosenbrock-W schemes.

Mahesh Narayanamurthi, Paul Tranquilli, Adrian Sandu et al.

Exponential integrators are special time discretization methods where the traditional linear system solves used by implicit schemes are replaced with computing the action of matrix exponential-like functions on a vector. A very general formulation of exponential integrators is offered by the Exponential Propagation Iterative methods of Runge-Kutta type (EPIRK) family of schemes. The use of Jacobian approximations is an important strategy to drastically reduce the overall computational costs of implicit schemes while maintaining the quality of their solutions. This paper extends the EPIRK class to allow the use of inexact Jacobians as arguments of the matrix exponential-like functions. Specifically, we develop two new families of methods: EPIRK-W integrators that can accommodate any approximation of the Jacobian, and EPIRK-K integrators that rely on a specific Krylov-subspace projection of the exact Jacobian. Classical order conditions theories are constructed for these families. A practical EPIRK-W method of order three and an EPIRK-K method of order four are developed. Numerical experiments indicate that the methods proposed herein are computationally favorable when compared to existing exponential integrators.

Paul Tranquilli, Adrian Sandu, Hong Zhang

This paper develops a new class of linearly implicit time integration schemes called Linearly-Implicit Runge-Kutta-W (LIRK-W) methods. These schemes are based on an implicit-explicit approach which does not require a splitting of the right hand side and allow for arbitrary, time dependent, and stage varying approximations of the linear systems appearing in the method. Several formulations of LIRK-W schemes, each designed for specific approximation types, and their associated order condition theories are presented.

Paul Tranquilli, Adrian Sandu

This paper develops a new class of exponential-type integrators where all the matrix exponentiations are performed in a single Krylov space of low dimension. The new family, called Lightly Implicit Krylov-Exponential (LIKE), is well suited for solving large scale systems of ODEs or semi-discrete PDEs. The time discretization and the Krylov space approximation are treated as a single computational process, and the Krylov space properties are an integral part of the new LIKE order condition theory developed herein. Consequently, LIKE methods require a small number of basis vectors determined solely by the temporal order of accuracy. The subspace size is independent of the ODE under consideration, and there is no need to monitor the errors in linear system solutions at each stage. Numerical results illustrate the favorable properties of new family of methods.

Hong Zhang, Adrian Sandu, Paul Tranquilli

Linearly implicit Runge-Kutta methods with approximate matrix factorization can solve efficiently large systems of differential equations that have a stiff linear part, e.g. reaction-diffusion systems. However, the use of approximate factorization usually leads to loss of accuracy, which makes it attractive only for low order time integration schemes. This paper discusses the application of approximate matrix factorization with high order methods; an inexpensive correction procedure applied to each stage allows to retain the high order of the underlying linearly implicit Runge-Kutta scheme. The accuracy and stability of the methods are studied. Numerical experiments on reaction-diffusion type problems of different sizes and with different degrees of stiffness illustrate the efficiency of the proposed approach.

Azam S. Zavar Moosavi, Paul Tranquilli, Adrian Sandu

This study considers using Metropolis-Hastings algorithm for stochastic simulation of chemical reactions. The proposed method uses SSA (Stochastic Simulation Algorithm) distribution which is a standard method for solving well-stirred chemically reacting systems as a desired distribution. A new numerical solvers based on exponential form of exact and approximate solutions of CME (Chemical Master Equation) is employed for obtaining target and proposal distributions in Metropolis-Hastings algorithm to accelerate the accuracy of the tau-leap method. Samples generated by this technique have the same distribution as SSA and the histogram of samples show it's convergence to SSA.