Abstract

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.

Highlights

  • We consider systems of stochastic differential equations (SDEs) in Rd subject to a smooth scalar constraint and a Stratonovich noise of the form dX (t) = M(X (t)) f (X (t))dt + M(X (t)) (X (t)) ◦ dW (t), X (0) = X0 ∈ M, (1.1)Communicated by Christian Lubich

  • Foundations of Computational Mathematics where M : Rd → Rd×d is the orthogonal projection on the tangent bundle of the manifold M = {x ∈ Rd, ζ (x) = 0} of codimension q, ζ : Rd → Rq is a given constraint, f : Rd → Rd is a smooth drift, : Rd → Rd×d is a smooth diffusion coefficient, and W is a standard d-dimensional Brownian motion in Rd on a probability space equipped with a filtration and fulfilling the usual assumptions

  • We mention the recent work [39], which introduced the exotic aromatic B-series for the computation of order conditions for sampling the invariant measure of ergodic SDEs in Rd, and that we extend in this paper to the context of SDEs on manifolds

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Summary

Introduction

We consider systems of stochastic differential equations (SDEs) in Rd subject to a smooth scalar constraint and a Stratonovich noise of the form dX (t) = M(X (t)) f (X (t))dt + M(X (t)) (X (t)) ◦ dW (t), X (0) = X0 ∈ M, (1.1)

B Adrien Laurent
High Order Ergodic Approximation on a Manifold
High-Order Integrators for Constrained Langevin Dynamics
Runge–Kutta Methods for Constrained Overdamped Langevin
Order Conditions for the Invariant Measure on Manifolds
Illustrative Examples of High Order Runge–Kutta Methods on Manifolds
Exotic Aromatic B-Series for Computing Order Conditions
Invariant Measure Approximation on a Sphere and a Torus
Invariant Measure Approximation on the Special Linear Group
B Integration by Parts Using the Tree Formalism
Findings
C Coefficients of the Order Two Runge–Kutta Method
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