Multilevel Sequential Monte Carlo with Dimension-Independent Likelihood-Informed Proposals

In this article we develop a new sequential Monte Carlo (SMC) method for multilevel (ML) Monte Carlo estimation. In particular, the method can be used to estimate expectations with respect to a target probability distribution over an infinite-dimensional and non-compact space as given, for example, by a Bayesian inverse problem with Gaussian random field prior. Under suitable assumptions the MLSMC method has the optimal $O(\epsilon^{-2})$ bound on the cost to obtain a mean-square error of $O(\epsilon^2)$. The algorithm is accelerated by dimension-independent likelihood-informed (DILI) proposals designed for Gaussian priors, leveraging a novel variation which uses empirical sample covariance information in lieu of Hessian information, hence eliminating the requirement for gradient evaluations. The efficiency of the algorithm is illustrated on two examples: inversion of noisy pressure measurements in a PDE model of Darcy flow to recover the posterior distribution of the permeability field, and inversion of noisy measurements of the solution of an SDE to recover the posterior path measure

Multilevel Sequential Monte Carlo with Dimension-Independent Likelihood-Informed Proposals

In this article we develop a new sequential Monte Carlo method for multilevel Monte Carlo estimation. In particular, the method can be used to estimate expectations with respect to a target probability distribution over an infinite-dimensional and noncompact space—as produced, for example, by a Bayesian inverse problem with a Gaussian random field prior. Under suitable assumptions the MLSMC method has the optimal O(ε −2 ) bound on the cost to obtain a mean-square error of O(ε 2 ). The algorithm is accelerated by dimension-independent likelihood-informed proposals [T. Cui, K. J. Law, and Y. M. Marzouk, (2016), J. Comput. Phys., 304, pp. 109–137] designed for Gaussian priors, leveraging a novel variation which uses empirical covariance information in lieu of Hessian information, hence eliminating the requirement for gradient evaluations. The efficiency of the algorithm is illustrated on two examples: (i) inversion of noisy pressure measurements in a PDE model of Darcy flow to recover the posterior distribution of the permeability field and (ii) inversion of noisy measurements of the solution of an SDE to recover the posterior path measure

Multilevel Delayed Acceptance MCMC with Applications to Hydrogeological Inverse Problems

Quantifying the uncertainty of model predictions is a critical task for engineering decision support systems. This is a particularly challenging effort in the context of statistical inverse problems, where the model parameters are unknown or poorly constrained, and where the data is often scarce. Many such problems emerge in the fields of hydrology and hydro--environmental engineering in general, and in hydrogeology in particular. While methods for rigorously quantifying the uncertainty of such problems exist, they are often prohibitively computationally expensive, particularly when the forward model is high--dimensional and expensive to evaluate. In this thesis, I present a Metropolis--Hastings algorithm, namely the Multilevel Delayed Acceptance (MLDA) algorithm, which exploits a hierarchy of forward models of increasing computational cost to significantly reduce the total cost of quantifying the uncertainty of high--dimensional, expensive forward models. The algorithm is shown to be in detailed balance with the posterior distribution of parameters, and the computational gains of the algorithm is demonstrated on multiple examples. Additionally, I present an approach for exploiting a deep neural network as an ultra--fast model approximation in an MLDA model hierarchy. This method is demonstrated in the context of both 2D and 3D groundwater flow modelling. Finally, I present a novel approach to adaptive optimal design of groundwater surveying, in which MLDA is employed to construct the posterior Monte Carlo estimates. This method utilises the posterior uncertainty of the primary problem in conjunction with the expected solution to an adjoint problem to sequentially determine the optimal location of the next datapoint.Engineering and Physical Sciences Research Council (EPSRC)Alan Turing InstituteEngineering and Physical Sciences Research Council (EPSRC

Multilevel Delayed Acceptance MCMC

We develop a novel Markov chain Monte Carlo (MCMC) method that exploits a hierarchy of models of increasing complexity to efficiently generate samples from an unnormalized target distribution. Broadly, the method rewrites the Multilevel MCMC approach of Dodwell et al. (2015) in terms of the Delayed Acceptance (DA) MCMC of Christen & Fox (2005). In particular, DA is extended to use a hierarchy of models of arbitrary depth, and allow subchains of arbitrary length. We show that the algorithm satisfies detailed balance, hence is ergodic for the target distribution. Furthermore, multilevel variance reduction is derived that exploits the multiple levels and subchains, and an adaptive multilevel correction to coarse-level biases is developed. Three numerical examples of Bayesian inverse problems are presented that demonstrate the advantages of these novel methods. The software and examples are available in PyMC3.Comment: 29 pages, 12 figure

Kernel Sequential Monte Carlo

We propose kernel sequential Monte Carlo (KSMC), a framework for sampling from static target densities. KSMC is a family of sequential Monte Carlo algorithms that are based on building emulator models of the current particle system in a reproducing kernel Hilbert space. We here focus on modelling nonlinear covariance structure and gradients of the target. The emulator's geometry is adaptively updated and subsequently used to inform local proposals. Unlike in adaptive Markov chain Monte Carlo, continuous adaptation does not compromise convergence of the sampler. KSMC combines the strengths of sequental Monte Carlo and kernel methods: superior performance for multimodal targets and the ability to estimate model evidence as compared to Markov chain Monte Carlo, and the emulator's ability to represent targets that exhibit high degrees of nonlinearity. As KSMC does not require access to target gradients, it is particularly applicable on targets whose gradients are unknown or prohibitively expensive. We describe necessary tuning details and demonstrate the benefits of the the proposed methodology on a series of challenging synthetic and real-world examples

Large deviation theory-based adaptive importance sampling for rare events in high dimensions

We propose a method for the accurate estimation of rare event or failure probabilities for expensive-to-evaluate numerical models in high dimensions. The proposed approach combines ideas from large deviation theory and adaptive importance sampling. The importance sampler uses a cross-entropy method to find an optimal Gaussian biasing distribution, and reuses all samples made throughout the process for both, the target probability estimation and for updating the biasing distributions. Large deviation theory is used to find a good initial biasing distribution through the solution of an optimization problem. Additionally, it is used to identify a low-dimensional subspace that is most informative of the rare event probability. This subspace is used for the cross-entropy method, which is known to lose efficiency in higher dimensions. The proposed method does not require smoothing of indicator functions nor does it involve numerical tuning parameters. We compare the method with a state-of-the-art cross-entropy-based importance sampling scheme using three examples: a high-dimensional failure probability estimation benchmark, a problem governed by a diffusion equation, and a tsunami problem governed by the time-dependent shallow water system in one spatial dimension