Randomized Hamiltonian Monte Carlo as Scaling Limit of the Bouncy Particle Sampler and Dimension-Free Convergence Rates

The Bouncy Particle Sampler is a Markov chain Monte Carlo method based on a nonreversible piecewise deterministic Markov process. In this scheme, a particle explores the state space of interest by evolving according to a linear dynamics which is altered by bouncing on the hyperplane tangent to the gradient of the negative log-target density at the arrival times of an inhomogeneous Poisson Process (PP) and by randomly perturbing its velocity at the arrival times of an homogeneous PP. Under regularity conditions, we show here that the process corresponding to the first component of the particle and its corresponding velocity converges weakly towards a Randomized Hamiltonian Monte Carlo (RHMC) process as the dimension of the ambient space goes to infinity. RHMC is another piecewise deterministic non-reversible Markov process where a Hamiltonian dynamics is altered at the arrival times of a homogeneous PP by randomly perturbing the momentum component. We then establish dimension-free convergence rates for RHMC for strongly log-concave targets with bounded Hessians using coupling ideas and hypocoercivity techniques.Comment: 47 pages, 2 figure

Diffusion limits of the random walk Metropolis algorithm in high dimensions

Diffusion limits of MCMC methods in high dimensions provide a useful theoretical tool for studying computational complexity. In particular, they lead directly to precise estimates of the number of steps required to explore the target measure, in stationarity, as a function of the dimension of the state space. However, to date such results have mainly been proved for target measures with a product structure, severely limiting their applicability. The purpose of this paper is to study diffusion limits for a class of naturally occurring high-dimensional measures found from the approximation of measures on a Hilbert space which are absolutely continuous with respect to a Gaussian reference measure. The diffusion limit of a random walk Metropolis algorithm to an infinite-dimensional Hilbert space valued SDE (or SPDE) is proved, facilitating understanding of the computational complexity of the algorithm.Comment: Published in at http://dx.doi.org/10.1214/10-AAP754 the Annals of Applied Probability (http://www.imstat.org/aap/) by the Institute of Mathematical Statistics (http://www.imstat.org

Multi-level Monte Carlo for continuous time Markov chains, with applications in biochemical kinetics

We show how to extend a recently proposed multi-level Monte Carlo approach to the continuous time Markov chain setting, thereby greatly lowering the computational complexity needed to compute expected values of functions of the state of the system to a specified accuracy. The extension is non-trivial, exploiting a coupling of the requisite processes that is easy to simulate while providing a small variance for the estimator. Further, and in a stark departure from other implementations of multi-level Monte Carlo, we show how to produce an unbiased estimator that is significantly less computationally expensive than the usual unbiased estimator arising from exact algorithms in conjunction with crude Monte Carlo. We thereby dramatically improve, in a quantifiable manner, the basic computational complexity of current approaches that have many names and variants across the scientific literature, including the Bortz-Kalos-Lebowitz algorithm, discrete event simulation, dynamic Monte Carlo, kinetic Monte Carlo, the n-fold way, the next reaction method,the residence-time algorithm, the stochastic simulation algorithm, Gillespie's algorithm, and tau-leaping. The new algorithm applies generically, but we also give an example where the coupling idea alone, even without a multi-level discretization, can be used to improve efficiency by exploiting system structure. Stochastically modeled chemical reaction networks provide a very important application for this work. Hence, we use this context for our notation, terminology, natural scalings, and computational examples.Comment: Improved description of the constants in statement of Theorem

Bayesian Reinforcement Learning via Deep, Sparse Sampling

We address the problem of Bayesian reinforcement learning using efficient model-based online planning. We propose an optimism-free Bayes-adaptive algorithm to induce deeper and sparser exploration with a theoretical bound on its performance relative to the Bayes optimal policy, with a lower computational complexity. The main novelty is the use of a candidate policy generator, to generate long-term options in the planning tree (over beliefs), which allows us to create much sparser and deeper trees. Experimental results on different environments show that in comparison to the state-of-the-art, our algorithm is both computationally more efficient, and obtains significantly higher reward in discrete environments.Comment: Published in AISTATS 202

Data-driven modelling of biological multi-scale processes

Biological processes involve a variety of spatial and temporal scales. A holistic understanding of many biological processes therefore requires multi-scale models which capture the relevant properties on all these scales. In this manuscript we review mathematical modelling approaches used to describe the individual spatial scales and how they are integrated into holistic models. We discuss the relation between spatial and temporal scales and the implication of that on multi-scale modelling. Based upon this overview over state-of-the-art modelling approaches, we formulate key challenges in mathematical and computational modelling of biological multi-scale and multi-physics processes. In particular, we considered the availability of analysis tools for multi-scale models and model-based multi-scale data integration. We provide a compact review of methods for model-based data integration and model-based hypothesis testing. Furthermore, novel approaches and recent trends are discussed, including computation time reduction using reduced order and surrogate models, which contribute to the solution of inference problems. We conclude the manuscript by providing a few ideas for the development of tailored multi-scale inference methods.Comment: This manuscript will appear in the Journal of Coupled Systems and Multiscale Dynamics (American Scientific Publishers