G. A. Pavliotis

G. A. Pavliotis, A. M. Stuart, K. C. Zygalakis

In this paper we study the problem of the numerical calculation (by Monte Carlo Methods) of the effective diffusivity for a particle moving in a periodic divergent-free velocity filed, in the limit of vanishing molecular diffusion. In this limit traditional numerical methods typically fail, since they do not represent accurately the geometry of the underlying deterministic dynamics. We propose a stochastic splitting method that takes into account the volume preserving property of the equations motion in the absence of noise, and when inertial effects can be neglected. An extension of the method is then proposed for the cases where the noise has a non trivial time-correlation structure and when inertial effects cannot be neglected. Modified equations are used to perform backward error analysis. The new stochastic geometric integrators are shown to outperform standard Euler-based integrators. Various asymptotic limits of physical interest are investigated by means of numerical experiments, using the new integrators.

A. B. Duncan, T. Lelievre, G. A. Pavliotis

A standard approach to computing expectations with respect to a given target measure is to introduce an overdamped Langevin equation which is reversible with respect to the target distribution, and to approximate the expectation by a time-averaging estimator. As has been noted in recent papers, introducing an appropriately chosen nonreversible component to the dynamics is beneficial, both in terms of reducing the asymptotic variance and of speeding up convergence to the target distribution. In this paper we present a detailed study of the dependence of the asymptotic variance on the deviation from reversibility. Our theoretical findings are supported by numerical simulations.

A. B. Duncan, N. Nuesken, G. A. Pavliotis

In this paper we introduce and analyse Langevin samplers that consist of perturbations of the standard underdamped Langevin dynamics. The perturbed dynamics is such that its invariant measure is the same as that of the unperturbed dynamics. We show that appropriate choices of the perturbations can lead to samplers that have improved properties, at least in terms of reducing the asymptotic variance. We present a detailed analysis of the new Langevin sampler for Gaussian target distributions. Our theoretical results are supported by numerical experiments with non-Gaussian target measures.

M. Schmuck, M. Pradas, G. A. Pavliotis et al.

Consider the generalized Kuramoto-Sivashinsky (gKS) equation. It is a model prototype for a wide variety of physical systems, from flame-front propagation, and more general front propagation in reaction-diffusion systems, to interface motion of viscous film flows. Our aim is to develop a systematic and rigorous low-dimensional representation of the gKS equation. For this purpose, we approximate it by a renormalization group (RG) equation which is qualitatively characterized by rigorous error bounds. This formulation allows for a new stochastic mode reduction guaranteeing optimality in the sense of maximal information entropy. Herewith, noise is systematically added to the reduced gKS equation and gives a rigorous and analytical explanation for its origin. These new results would allow to reliably perform low-dimensional numerical computations by accounting for the neglected degrees of freedom in a systematic way. Moreover, the presented reduction strategy might also be useful in other applications where classical mode reduction approaches fail or are too complicated to be implemented.

A. Abdulle, G. A. Pavliotis

A new method for solving numerically stochastic partial differential equations (SPDEs) with multiple scales is presented. The method combines a spectral method with the heterogeneous multiscale method (HMM) presented in [W. E, D. Liu, and E. Vanden-Eijnden, Comm. Pure Appl. Math., 58(11):1544--1585, 2005]. The class of problems that we consider are SPDEs with quadratic nonlinearities that were studied in [D. Blomker, M. Hairer, and G.A. Pavliotis, Nonlinearity, 20(7):1721--1744, 2007.] For such SPDEs an amplitude equation which describes the effective dynamics at long time scales can be rigorously derived for both advective and diffusive time scales. Our method, based on micro and macro solvers, allows to capture numerically the amplitude equation accurately at a cost independent of the small scales in the problem. Numerical experiments illustrate the behavior of the proposed method.

N. Nuesken, G. A. Pavliotis

In this paper we develop a general framework for constructing and analysing coupled Markov chain Monte Carlo samplers, allowing for both (possibly degenerate) diffusion and piecewise deterministic Markov processes. For many performance criteria of interest, including the asymptotic variance, the task of finding efficient couplings can be phrased in terms of problems related to optimal transport theory. We investigate general structural properties, proving a singularity theorem that has both geometric and probabilistic interpretations. Moreover, we show that those problems can often be solved approximately and support our findings with numerical experiments. For the particular objective of estimating the variance of a Bayesian posterior, our analysis suggests using novel techniques in the spirit of antithetic variates. Addressing the convergence to equilibrium of coupled processes we furthermore derive a modified Poincaré inequality.

A. Abdulle, G. A. Pavliotis, U. Vaes

This paper presents a new method for the solution of multiscale stochastic differential equations at the diffusive time scale. In contrast to averaging-based methods, e.g., the heterogeneous multiscale method (HMM) or the equation-free method, which rely on Monte Carlo simulations, in this paper we introduce a new numerical methodology that is based on a spectral method. In particular, we use an expansion in Hermite functions to approximate the solution of an appropriate Poisson equation, which is used in order to calculate the coefficients of the homogenized equation. Spectral convergence is proved under suitable assumptions. Numerical experiments corroborate the theory and illustrate the performance of the method. A comparison with the HMM and an application to singularly perturbed stochastic PDEs are also presented.

V. Bonnaillie-Noël, J. A. Carrillo, T. Goudon et al.

In this paper we study the diffusion approximation of a swarming model given by a system of interacting Langevin equations with nonlinear friction. The diffusion approximation requires the calculation of the drift and diffusion coefficients that are given as averages of solutions to appropriate Poisson equations. We present a new numerical method for computing these coefficients that is based on the calculation of the eigenvalues and eigenfunctions of a Schrödinger operator. These theoretical results are supported by numerical simulations showcasing the efficiency of the method.