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High-Order Schemes of Exponential Time Differencing for Stiff Systems with Nondiagonal Linear Part

Evelina V. Permyakova, Denis S. Goldobin

TL;DR

The authors address the challenge of applying exponential time differencing (ETD) to stiff systems with a non-diagonal linear part $\boldsymbol{L}$ by computing ETD coefficients numerically through auxiliary problems, and by rewriting Runge–Kutta ETD schemes in terms of $\mathbf{Q}(\tau)=e^{\boldsymbol{L}\tau}$ and $\mathbf{M}_n(\tau)$. They implement this approach for three test models: the 1D Cahn–Hilliard equation, the Matthews–Cox sixth-order pattern-formation equation with a conservation law, and a Fokker–Planck description of a population of quadratic integrate-and-fire neurons, showing substantial accuracy and, importantly, large speedups (often 2–3 orders) relative to standard predictor–corrector or RK-based methods. The results demonstrate that ETD schemes, particularly ETD4RK, are highly effective for PDEs with high-order spatial derivatives and for long-time simulations in complex, stiff systems, while the auxiliary-problem-based coefficient evaluation remains broadly reusable across problems. The work provides a practical, scalable framework with memory- and accuracy-conscious optimizations, and it sets the stage for extending ETD methods to higher dimensions and more complex heterogeneous models.

Abstract

Exponential time differencing methods is a power tool for high-performance numerical simulation of computationally challenging problems in condensed matter physics, fluid dynamics, chemical and biological physics, where mathematical models often possess fast oscillating or decaying modes -- in other words, are stiff systems. Practical implementation of these methods for the systems with nondiagonal linear part of equations is exacerbated by infeasibility of an analytical calculation of the exponential of a nondiagonal linear operator; in this case, the coefficients of the exponential time differencing scheme cannot be calculated analytically. We suggest an approach, where these coefficients are numerically calculated with auxiliary problems. We rewrite the high-order Runge--Kutta type schemes in terms of the solutions to these auxiliary problems and practically examine the accuracy and computational performance of these methods for a heterogeneous Cahn--Hilliard equation, a sixth-order spatial derivative equation governing pattern formation in the presence of an additional conservation law, and a Fokker--Planck equation governing macroscopic dynamics of a network of neurons.

High-Order Schemes of Exponential Time Differencing for Stiff Systems with Nondiagonal Linear Part

TL;DR

The authors address the challenge of applying exponential time differencing (ETD) to stiff systems with a non-diagonal linear part by computing ETD coefficients numerically through auxiliary problems, and by rewriting Runge–Kutta ETD schemes in terms of and . They implement this approach for three test models: the 1D Cahn–Hilliard equation, the Matthews–Cox sixth-order pattern-formation equation with a conservation law, and a Fokker–Planck description of a population of quadratic integrate-and-fire neurons, showing substantial accuracy and, importantly, large speedups (often 2–3 orders) relative to standard predictor–corrector or RK-based methods. The results demonstrate that ETD schemes, particularly ETD4RK, are highly effective for PDEs with high-order spatial derivatives and for long-time simulations in complex, stiff systems, while the auxiliary-problem-based coefficient evaluation remains broadly reusable across problems. The work provides a practical, scalable framework with memory- and accuracy-conscious optimizations, and it sets the stage for extending ETD methods to higher dimensions and more complex heterogeneous models.

Abstract

Exponential time differencing methods is a power tool for high-performance numerical simulation of computationally challenging problems in condensed matter physics, fluid dynamics, chemical and biological physics, where mathematical models often possess fast oscillating or decaying modes -- in other words, are stiff systems. Practical implementation of these methods for the systems with nondiagonal linear part of equations is exacerbated by infeasibility of an analytical calculation of the exponential of a nondiagonal linear operator; in this case, the coefficients of the exponential time differencing scheme cannot be calculated analytically. We suggest an approach, where these coefficients are numerically calculated with auxiliary problems. We rewrite the high-order Runge--Kutta type schemes in terms of the solutions to these auxiliary problems and practically examine the accuracy and computational performance of these methods for a heterogeneous Cahn--Hilliard equation, a sixth-order spatial derivative equation governing pattern formation in the presence of an additional conservation law, and a Fokker--Planck equation governing macroscopic dynamics of a network of neurons.
Paper Structure (14 sections, 46 equations, 11 figures, 1 table)

This paper contains 14 sections, 46 equations, 11 figures, 1 table.

Figures (11)

  • Figure 1: Oscillatory solutions of Cahn--Hilliard equation (\ref{['eq:CH01']}) (left panel) and Matthews--Cox equation (\ref{['eq:MC01']}) (right panel) are plotted for advection velocity $v=1$ and localized excitability $q(x)$ (\ref{['eq:CH02']}) in the domain of length $L=10$.
  • Figure 2: For Cahn--Hilliard equation (\ref{['eq:CH01']}), matrices $\log_{10}|Q_{jk}|$ (panel a), $\log_{10}|(\mathbf{M}_1)_{jk}|$ (panel b), $\log_{10}|(\tau^{-1}\mathbf{M}_2)_{jk}|$ (panel c), $\log_{10}|(\tau^{-2}\mathbf{M}_3)_{jk}|$ (panel d) are plotted versus indices $k$ and $j$ for $\tau=2.5\times10^{-4}$, $L=10$, $N=200$; $\tau_1=0.1h_x^4=6.25\times10^{-7}$.
  • Figure 3: The error rate and the CPU time for the numerical simulation of Cahn--Hilliard equation (\ref{['eq:CH01']}) with several ETD schemes over the time interval $0<t<50$ are plotted versus the ETD stepsize $\tau$ for $N=200$ (i.e. $h_x=0.05$). Solid squares: ETD2RK, solid up-triangles: ETD3RK, solid down-triangles: ETD4RK, solid circles: predictor--corrector scheme with fixed time stepsize $\tau_1=0.1h_x^4=6.25\times10^{-7}$. CPU times for the preliminary (preparatory) calculation of the matrices $\mathbf{Q}$ and $\mathbf{M}_n$ required for the respective ETD scheme are plotted in the right panel with open symbols. CPU times are provided for the processor Intel(R) Core(TM) i7-4790K CPU 4.00 GHz, disabled hypertrading; RAM: DDR3 16 GB; program in FORTRAN.
  • Figure 4: The error rate and the CPU time for the numerical simulation of CHE (\ref{['eq:CH01']}) with several ETD schemes are plotted versus the ETD stepsize $\tau$ for $N=400$ (i.e. $h_x=0.025$); $\tau_1=0.1h_x^4=3.90625\times10^{-8}$. See Caption to Fig. \ref{['fig3']} for notations and values of other parameters.
  • Figure 5: For Matthews--Cox equation (\ref{['eq:MC01']}), matrices $\log_{10}|Q_{jk}|$ (panel a), $\log_{10}|(\mathbf{M}_1)_{jk}|$ (panel b), $\log_{10}|(\tau^{-1}\mathbf{M}_2)_{jk}|$ (panel c), $\log_{10}|(\tau^{-2}\mathbf{M}_3)_{jk}|$ (panel d) are plotted versus indices $k$ and $j$ for $\tau=1.6\times10^{-4}$, $L=10$, $N=100$; $\tau_1=0.02h_x^6=2\times10^{-8}$.
  • ...and 6 more figures