SearcharxivSearch

arXiv subjects

Gilles Vilmart

Publications and source records attributed to Gilles Vilmart.

At least 19 recordsLinked to original sources

Explicit stabilized implementation of singly diagonally implicit Runge-Kutta methods

Implicit methods are a natural approach for the integration of stiff differential equations, to avoid time-step restrictions faced by standard explicit integrators. Explicit stabilised integrators are an alternative to implicit methods, which can be particularly efficient in high-dimensional applications with diffusive terms. Towards the best of both worlds, we introduce a new explicit stabilised implementation of a class of diagonally implicit Runge-Kutta methods. This allows us to implement high-order singly-diagonally-implicit Runge-Kutta methods for advection-diffusion-reaction PDEs with a provable computational cost analogous to that of standard explicit stabilised methods. The main ingredient is to recast the implicit Runge-Kutta update as the steady state of a modified auxiliary system, which is then computed using a partitioned Runge-Kutta-Chebyshev method inspired by optimisation techniques.

math.NA

Arbitrary high order splitting methods for linear Schr{ö}dinger equations with non-trivial compatibility conditions

Splitting methods are a natural choice for the numerical time integration of partial differential equations, and arbitrary high order splitting schemes exist for Schr{ö}dinger equations with periodic boundary conditions. However, in the presence of non-periodic boundary conditions, we show that they suffer in general from an order reduction, even for smooth initial conditions. The reason for such order reduction phenomena are so-called compatibility conditions, which are not preserved by classical splitting schemes. In this paper, we introduce a family of modified splitting methods for one-dimensional linear Schr{ö}dinger equations with homogeneous Dirichlet boundary conditions, which achieve an arbitrary high order, and do not suffer from any order reduction. This is illustrated with a fourth order splitting scheme considering initial conditions with various regularity properties.

math.NA

Arboretum.hs: Symbolic manipulation for algebras of graphs

We design the Arboretum$.$hs package for symbolic computations with algebras of trees and more general graphs in Haskell. Thanks to the declarative nature of functional programming, the package's implementation closely follows mathematical definitions, making the code intuitive and transparent for users working with algebraic and combinatorial structures. To assist with current mathematical research, Arboretum$.$hs supports experimentation by facilitating the introduction of new algebraic operations, as well as providing functionality for rendering trees and forests through LaTeX integration. Compared to recent imperative implementations in languages such as Julia or Python, Arboretum$.$hs offers greater flexibility for manipulating and extending tree-based structures. Its use of Haskell enables safe programming and strong compile-time guarantees, serving both as a practical computational tool and a foundation for further research in algebraic combinatorics, beyond the setting of trees usually considered in the implementation of Butcher series, which are a fundamental tool for the analysis of numerical integrators.

cs.SC

Spectral Deferred Corrections in the framework of Runge-Kutta methods

We interpret a wide range of flavors of Spectral Deferred Corrections (SDC) as Runge-Kutta methods (RKM). Using Butcher series, we show that the considered class of SDC methods achieve at least order p after p iterations compared to the underlying RKM, independently of the error discretisation chosen and the choice of nodes. For all collocation RKM, we analyse the phenomenon of order jumps in SDC iterations, where the order is increased by two at each iteration. We prove that it can be obtained by using appropriate inconsistent, implicit, parallelisable error discretisations. We also investigate the stability properties of the new SDC methods which can in general reduce to that of explicit RKM, but it can be improved by suitable combinations of error discretisations. We confirm the convergence analysis with numerical experiments and we apply relaxation RKM to derive SDC variants that conserve quadratic invariants.

math.NA

Preconditioning for the high-order sampling of the invariant distribution of parabolic semilinear SPDEs

For a class of ergodic parabolic semilinear stochastic partial differential equations (SPDEs) with gradient structure, we introduce a preconditioning technique and design high-order integrators for the approximation of the invariant distribution. The preconditioning yields improved temporal regularity of the dynamics while preserving the invariant distribution and allows the application of postprocessed integrators. For the semilinear heat equation driven by space-time white noise in dimension $1$, we obtain new temporal integrators with orders $1$ and $2$ for sampling the invariant distribution with a minor overcost compared to the standard semilinear implicit Euler method of order $1/2$. Numerical experiments confirm the theoretical findings and illustrate the efficiency of the approach.

math.NA

Second order explicit stabilized multirate method for stiff differential equations with error control

Explicit stabilized methods are highly efficient time integrators for large and stiff systems of ordinary differential equations especially when applied to semi-discrete parabolic problems. However, when local spatial mesh refinement is introduced, their efficiency decreases, since the stiffness is driven by only the smallest mesh element. A natural approach is to split the system into fast stiff and slower mildly stiff components. In this context, [A. Abdulle, M.J. Grote and G. Rosilho de Souza 2022] proposed the order one multirate explicit stabilized method (mRKC). We extend their approach to second order and introduce the new multirate ROCK2 method (mROCK2), which achieves high precision and allows a step-size strategy with error control. Numerical methods including the heat equation with local spatial mesh refinements confirm the accuracy and efficiency of the scheme.

math.NA

Efficient Langevin sampling with position-dependent diffusion

We introduce a numerical method for Brownian dynamics with position dependent diffusion tensor which is second order accurate for sampling the invariant measure while requiring only one force evaluation per timestep. Analysis of the sampling bias is performed using the algebraic framework of exotic aromatic Butcher-series. Numerical experiments confirm the theoretical order of convergence and illustrate the efficiency of the new method.

math.NA

Convergence analysis of explicit stabilized integrators for parabolic semilinear stochastic PDEs

Explicit stabilized integrators are an efficient alternative to implicit or semi-implicit methods to avoid the severe timestep restriction faced by standard explicit integrators applied to stiff diffusion problems. In this paper, we provide a fully discrete strong convergence analysis of a family of explicit stabilized methods coupled with finite element methods for a class of parabolic semilinear deterministic and stochastic partial differential equations. Numerical experiments including the semilinear stochastic heat equation with space-time white noise confirm the theoretical findings.

math.NA

SINDy for delay-differential equations: application to model bacterial zinc response

We extend the data-driven method of Sparse Identification of Nonlinear Dynamics (SINDy) developed by Brunton et al, Proc. Natl. Acad. Sci USA 113 (2016) to the case of delay differential equations (DDEs). This is achieved in a bilevel optimization procedure by first applying SINDy for fixed delay and then subsequently optimizing the error of the reconstructed SINDy model over delay times. We test the SINDy-delay method on a noisy short data set from a toy delay differential equation and show excellent agreement. We then apply the method to experimental data of gene expressions in the bacterium {\it Pseudomonas aeruginosa} subject to the influence of zinc. The derived SINDy model suggests that the increase of zinc concentration mainly affects the time delay and not the strengths of the interactions between the different agents controlling the zinc export mechanism.

math.DS

Drift-preserving numerical integrators for stochastic Poisson systems

We perform a numerical analysis of a class of randomly perturbed {H}amiltonian systems and {P}oisson systems. For the considered additive noise perturbation of such systems, we show the long time behavior of the energy and quadratic Casimirs for the exact solution. We then propose and analyze a drift-preserving splitting scheme for such problems with the following properties: exact drift preservation of energy and quadratic Casimirs, mean-square order of convergence one, weak order of convergence two. These properties are illustrated with numerical experiments.

math.NA

Superconvergence of the Strang splitting when using the Crank-Nicolson scheme for parabolic PDEs with Dirichlet and oblique boundary conditions

We show that the Strang splitting method applied to a diffusion-reaction equation with inhomogeneous general oblique boundary conditions is of order two when the diffusion equation is solved with the Crank-Nicolson method, while order reduction occurs in general if using other Runge-Kutta schemes or even the exact flow itself for the diffusion part. We prove these results when the source term only depends on the space variable, an assumption which makes the splitting scheme equivalent to the Crank-Nicolson method itself applied to the whole problem. Numerical experiments suggest that the second order convergence persists with general nonlinearities.

math.AP

Order conditions for sampling the invariant measure of ergodic stochastic differential equations on manifolds

We derive a new methodology for the construction of high order integrators for sampling the invariant measure of ergodic stochastic differential equations with dynamics constrained on a manifold. We obtain the order conditions for sampling the invariant measure for a class of Runge-Kutta methods applied to the constrained overdamped Langevin equation. The analysis is valid for arbitrarily high order and relies on an extension of the exotic aromatic Butcher-series formalism. To illustrate the methodology, a method of order two is introduced, and numerical experiments on the sphere, the torus and the special linear group confirm the theoretical findings.

math.NA

Explicit stabilized integrators for stiff optimal control problems

Explicit stabilized methods are an efficient alternative to implicit schemes for the time integration of stiff systems of differential equations in large dimension. In this paper, we derive explicit stabilized integrators of orders one and two for the optimal control of stiff systems. We analyze their favorable stability properties based on the continuous optimality conditions. Furthermore, we study their order of convergence taking advantage of the symplecticity of the corresponding partitioned Runge-Kutta method involved for the adjoint equations. Numerical experiments including the optimal control of a nonlinear diffusion-advection PDE illustrate the efficiency of the new approach.

math.NA

Strang splitting method for semilinear parabolic problems with inhomogeneous boundary conditions: a correction based on the flow of the nonlinearity

The Strang splitting method, formally of order two, can suffer from order reduction when applied to semilinear parabolic problems with inhomogeneous boundary conditions. The recent work [L .Einkemmer and A. Ostermann. Overcoming order reduction in diffusion-reaction splitting. Part 1. Dirichlet boundary conditions. SIAM J. Sci. Comput., 37, 2015. Part 2: Oblique boundary conditions, SIAM J. Sci. Comput., 38, 2016] introduces a modification of the method to avoid the reduction of order based on the nonlinearity. In this paper we introduce a new correction constructed directly from the flow of the nonlinearity and which requires no evaluation of the source term or its derivatives. The goal is twofold. One, this new modification requires only one evaluation of the diffusion flow and one evaluation of the source term flow at each step of the algorithm and it reduces the computational effort to construct the correction. Second, numerical experiments suggest it is well suited in the case where the nonlinearity is stiff. We provide a convergence analysis of the method for a smooth nonlinearity and perform numerical experiments to illustrate the performances of the new approach.

math.NA

Explicit Stabilised Gradient Descent for Faster Strongly Convex Optimisation

This paper introduces the Runge-Kutta Chebyshev descent method (RKCD) for strongly convex optimisation problems. This new algorithm is based on explicit stabilised integrators for stiff differential equations, a powerful class of numerical schemes that avoid the severe step size restriction faced by standard explicit integrators. For optimising quadratic and strongly convex functions, this paper proves that RKCD nearly achieves the optimal convergence rate of the conjugate gradient algorithm, and the suboptimality of RKCD diminishes as the condition number of the quadratic function worsens. It is established that this optimal rate is obtained also for a partitioned variant of RKCD applied to perturbations of quadratic functions. In addition, numerical experiments on general strongly convex problems show that RKCD outperforms Nesterov's accelerated gradient descent.

math.OC

Multirevolution integrators for differential equations with fast stochastic oscillations

We introduce a new methodology based on the multirevolution idea for constructing integrators for stochastic differential equations in the situation where the fast oscillations themselves are driven by a Stratonovich noise. Applications include in particular highly-oscillatory Kubo oscillators and spatial discretizations of the nonlinear Schrödinger equation with fast white noise dispersion. We construct a method of weak order two with computational cost and accuracy both independent of the stiffness of the oscillations. A geometric modification that conserves exactly quadratic invariants is also presented.

math.NA

Exotic aromatic B-series for the study of long time integrators for a class of ergodic SDEs

We introduce a new algebraic framework based on a modification (called exotic) of aromatic Butcher-series for the systematic study of the accuracy of numerical integrators for the invariant measure of a class of ergodic stochastic differential equations (SDEs) with additive noise. The proposed analysis covers Runge-Kutta type schemes including the cases of partitioned methods and postprocessed methods. We also show that the introduced exotic aromatic B-series satisfy an isometric equivariance property.

math.NA