Piecewise Deterministic Monte Carlo (PDMC) algorithms utilize continuous time Markov processes to generate samples from continuous distributions, and provide a modern alternative to discrete time Markov chain Monte Carlo algorithms. In this work we provide a survey of recent results on scaling limit arguments to understand the behaviour and efficiency of two often-used Piecewise Deterministic Monte Carlo algorithms: the Bouncy Particle Sampler and the Zig-Zag Process. In particular we discuss a Functional Central Limit Theorem, scaling in the high-dimensional regime, scaling under anisotropy, and scaling in the big data regime. This work is intended as part of the proceedings of the 2024 Isaac Newton Institute Programme "Stochastic systems for anomalous diffusion".

We develop a general framework for piecewise deterministic Markov process (PDMP) samplers that enables efficient Bayesian inference in non-linear inverse problems with expensive likelihoods. The key ingredient is a surrogate-assisted thinning scheme in which a surrogate model provides a proposal event rate and a robust correction mechanism enforces an upper bound on the true rate by dynamically adjusting an additive offset whenever violations are detected. This construction is agnostic to the choice of surrogate and PDMP, and we demonstrate it for the Zig-Zag sampler and the Bouncy particle sampler with constant, Laplace, and Gaussian process (GP) surrogates, including gradient-informed and adaptively refined GP variants. As a representative application, we consider Bayesian inference of a spatially varying Young's modulus in a one-dimensional linear elasticity problem. Across dimensions, PDMP samplers equipped with GP-based surrogates achieve substantially higher accuracy and effective sample size per forward model evaluation than Random Walk Metropolis algorithm and the No-U-Turn sampler. The Bouncy particle sampler exhibits the most favorable overall efficiency and scaling, illustrating the potential of the proposed PDMP framework beyond this particular setting.

Recent advancements in Markov chain Monte Carlo (MCMC) sampling and surrogate modelling have significantly enhanced the feasibility of Bayesian analysis across engineering fields. However, the selection and integration of surrogate models and cutting-edge MCMC algorithms, often depend on ad-hoc decisions. A systematic assessment of their combined influence on accuracy and efficiency is notably lacking. The present work offers a comprehensive comparative study, employing a scalable case study in computational mechanics focused on the inference of spatially varying material parameters, that sheds light on the impact of methodological choices for surrogate modelling and sampling. We show that a priori training of the surrogate model introduces large errors in the posterior estimation even in low to moderate dimensions. We introduce a simple active learning strategy based on the path of the MCMC algorithm that is superior to all a priori trained models, and determine its training data requirements. We demonstrate that the choice of the MCMC algorithm has only a small influence on the amount of training data but no significant influence on the accuracy of the resulting surrogate model. Further, we show that the accuracy of the posterior estimation largely depends on the surrogate model, but not even a tailored surrogate guarantees convergence of the MCMC. Finally, we identify the forward model as the bottleneck in the inference process, not the MCMC algorithm. While related works focus on employing advanced MCMC algorithms, we demonstrate that the training data requirements render the surrogate modelling approach infeasible before the benefits of these gradient-based MCMC algorithms on cheap models can be reaped.

Piecewise Deterministic Markov Processes (PDMPs) such as the Bouncy Particle Sampler and the Zig-Zag Sampler, have gained attention as continuous-time counterparts of classical Markov chain Monte Carlo. We study their transient regime under convex potentials, namely how trajectories that start in low-probability regions move toward higher-probability sets. Using fluid-limit arguments with a decomposition of the generator into fast and slow parts, we obtain deterministic ordinary differential equation descriptions of early-stage behaviour. The fast dynamics alone are non-ergodic because once the event rate reaches zero it does not restart. The slow component reactivates the dynamics, so averaging remains valid when taken over short micro-cycles rather than with respect to an invariant law. Using the expected number of jump events as a cost proxy for gradient evaluations, we find that for Gaussian targets the transient cost of PDMP methods is comparable to that of random-walk Metropolis. For convex heavy-tailed families with subquadratic growth, PDMP methods can be more efficient when event simulation is implemented well. Forward Event-Chain and Coordinate Samplers can, under the same assumptions, reach the typical set with an order-one expected number of jumps. For the Zig-Zag Sampler we show that, under a diagonal-dominance condition, the transient choice of direction coincides with the solution of a box-constrained quadratic program; outside that regime we give a formal derivation and a piecewise-smooth update rule that clarifies the roles of the gradient and the Hessian. These results provide theoretical insight and practical guidance for the use of PDMP samplers in large-scale inference.

Piecewise deterministic Markov processes (PDMPs) are a type of continuous-time Markov process that combine deterministic flows with jumps. Recently, PDMPs have garnered attention within the Monte Carlo community as a potential alternative to traditional Markov chain Monte Carlo (MCMC) methods. The Zig-Zag sampler and the Bouncy particle sampler are commonly used examples of the PDMP methodology which have also yielded impressive theoretical properties, but little is known about their robustness to extreme dependence or isotropy of the target density. It turns out that PDMPs may suffer from poor mixing due to anisotropy and this paper investigates this effect in detail in the stylised but important Gaussian case. To this end, we employ a multi-scale analysis framework in this paper. Our results show that when the Gaussian target distribution has two scales, of order $1$ and $\epsilon$, the computational cost of the Bouncy particle sampler is of order $\epsilon^{-1}$, and the computational cost of the Zig-Zag sampler is either $\epsilon^{-1}$ or $\epsilon^{-2}$, depending on the target distribution. In comparison, the cost of the traditional MCMC methods such as RWM or MALA is of order $\epsilon^{-2}$, at least when the dimensionality of the small component is more than $1$. Therefore, there is a robustness advantage to using PDMPs in this context.

Piecewise deterministic Markov processes provide scalable methods for sampling from the posterior distributions in big data settings by admitting principled sub-sampling strategies that do not bias the output. An important example is the Zig-Zag process of [Ann. Stats. 47 (2019) 1288 - 1320] where clever sub-sampling has been shown to produce an essentially independent sample at a cost that does not scale with the size of the data. However, sub-sampling also leads to slower convergence and poor mixing of the process, a behaviour which questions the promised scalability of the algorithm. We provide a large sample scaling analysis of the Zig-Zag process and its sub-sampling versions in settings of parametric Bayesian inference. In the transient phase of the algorithm, we show that the Zig-Zag trajectories are well approximated by the solution to a system of ODEs. These ODEs possess a drift in the direction of decreasing KL-divergence between the assumed model and the true distribution and are explicitly characterized in the paper. In the stationary phase, we give weak convergence results for different versions of the Zig-Zag process. Based on our results, we estimate that for large data sets of size n, using suitable control variates with sub-sampling in Zig-Zag, the algorithm costs O(1) to obtain an essentially independent sample; a computational speed-up of O(n) over the canonical version of Zig-Zag and other traditional MCMC methods

Strong invariance principles describe the error term of a Brownian approximation to the partial sums of a stochastic process. While these strong approximation results have many applications, results for continuoustime settings have been limited. In this paper, we obtain strong invariance principles for a broad class of ergodic Markov processes. Strong invariance principles provide a unified framework for analysing commonly used estimators of the asymptotic variance in settings with a dependence structure. We demonstrate how this can be used to analyse the batch means method for simulation output of Piecewise Deterministic Monte Carlo samplers. We also derive a fluctuation result for additive functionals of ergodic diffusions using our strong approximation results.

This study reports on the development of a user-adjustable head support device for a head-only MRI scanner with a seated patient. To avoid motion artifacts in head MRI, patients must move <1 ​mm during a typical 120 ​s image acquisition, often necessitating head-support devices. Previous studies have investigated user-adjustable head support for MRI when lying supine and patient-specific head support for seated MEG. A formative evaluation process was used with 22 participants in total across three phases: (1) determination of head support points whilst seated; (2) testing a simple inflatable bladder to provide head support; (3) evaluation of two fully resolved inflatable prototypes. Compared to an unsupported head, the final inflatable designs reduce positional diffusivity and drift over 120 ​s intervals by a factor of 2. The final two prototypes give acceptable user experience but require further refinement to fully minimise head movement. This research is applicable for any seated diagnostic imaging application where head motion must be minimized.

We extend Monte Carlo samplers based on piecewise deterministic Markov processes (PDMP samplers) by formally defining different boundary conditions such as sticky floors, soft and hard walls and teleportation portals. This allows PDMP samplers to target measures with piecewise-smooth densities relative to mixtures of Dirac and continuous components and measures supported on disconnected regions or regions which are difficult to reach with continuous paths. This is achieved by specifying the transition kernel which governs the behaviour of standard PDMPs when reaching a boundary. We determine a sufficient condition for the kernel at the boundary in terms of the skew-detailed balance condition and give concrete examples. The probabilities to cross a boundary can be tuned by introducing a piecewise constant speed-up function which modifies the velocity of the process upon crossing the boundary without extra computational cost. We apply this new class of processes to two illustrative applications in epidemiology and statistical mechanics.

In this paper we aim to construct infinite dimensional versions of well established Piecewise Deterministic Monte Carlo methods, such as the Bouncy Particle Sampler, the Zig-Zag Sampler and the Boomerang Sampler. In order to do so we provide an abstract infinite-dimensional framework for Piecewise Deterministic Markov Processes (PDMPs) with unbounded event intensities. We further develop exponential convergence to equilibrium of the infinite dimensional Boomerang Sampler, using hypocoercivity techniques. Furthermore we establish how the infinite dimensional Boomerang Sampler admits a finite dimensional approximation, rendering it suitable for computer simulation.

We construct a new class of efficient Monte Carlo methods based on continuous-time piecewise deterministic Markov processes (PDMPs) suitable for inference in high dimensional sparse models, i.e. models for which there is prior knowledge that many coordinates are likely to be exactly 0. This is achieved with the fairly simple idea of endowing existing PDMP samplers with “sticky” coordinate axes, coordinate planes etc. Upon hitting those subspaces, an event is triggered during which the process sticks to the subspace, this way spending some time in a sub-model. This results in non-reversible jumps between different (sub-)models. While we show that PDMP samplers in general can be made sticky, we mainly focus on the Zig-Zag sampler. Compared to the Gibbs sampler for variable selection, we heuristically derive favourable dependence of the Sticky Zig-Zag sampler on dimension and data size. The computational efficiency of the Sticky Zig-Zag sampler is further established through numerical experiments where both the sample size and the dimension of the parameter space are large.

The zigzag process is a variant of the telegraph process with position dependent switching intensities. A characterization of the L-2-spectrum for the generator of the one-dimensional zigzag process is obtained in the case where the marginal stationary distribution on R is unimodal and the refreshment intensity is zero. Sufficient conditions are obtained for a spectral mapping theorem, mapping the spectrum of the generator to the spectrum of the corresponding Markov semigroup. Furthermore results are obtained for symmetric stationary distributions and for perturbations of the spectrum, in particular for the case of a non-zero refreshment intensity. In the examples we consider (including a Gaussian target distribution) a slight increase of the refreshment intensity above zero results in a larger L-2-spectral gap, corresponding to an improved convergence in L-2.

Piecewise deterministic Markov processes are an important new tool in the design of Markov Chain Monte Carlo algorithms. Two examples of fundamental importance are the Bouncy Particle Sampler (BPS) and the Zig-Zag process (ZZ). In this paper scaling limits for both algorithms are determined. Here the dimensionality of the space tends towards infinity and the target distribution is the multivariate standard normal distribution. For several quantities of interest (angular momentum, first coordinate, and negative log-density) the scaling limits show qualitatively very different and rich behaviour. Based on these scaling limits the performance of the two algorithms in high dimensions can be compared. Although for angular momentum both processes require only a computational effort of $O(d)$ to obtain approximately independent samples, the computational effort for negative log-density and first coordinate differ: for these BPS requires $O(d^2)$ computational effort whereas ZZ requires $O(d)$. Finally we provide a criterion for the choice of the refreshment rate of BPS.

When performing Bayesian computations in practice, one is often faced with the challenge that the constituent model components and/or the data are only available in a distributed fashion, e.g. due to privacy concerns or sheer volume. While various methods have been proposed for performing posterior inference in such federated settings, these either make very strong assumptions on the data and/or model or otherwise introduce significant bias when the local posteriors are combined to form an approximation of the target posterior. By leveraging recently developed methods for Markov Chain Monte Carlo (MCMC) based on Piecewise Deterministic Markov Processes (PDMPs), we develop a computation -- and communication -- efficient family of posterior inference algorithms (Fed-PDMC) which provides asymptotically exact approximations of the full posterior over a large class of Bayesian models, allowing heterogenous model and data contributions from each client. We show that communication between clients and the server preserves the privacy of the individual data sources by establishing differential privacy guarantees. We quantify the performance of Fed-PDMC over a class of illustrative analytical case-studies and demonstrate its efficacy on a number of synthetic examples along with realistic Bayesian computation benchmarks.

Piecewise deterministic Markov processes (PDMPs) are a class of stochastic processes with applications in several fields of applied mathematics spanning from mathematical modeling of physical phenomena to computational methods. A PDMP is specified by three characteristic quantities: the deterministic motion, the law of the random event times, and the jump kernels. The applicability of PDMPs to real world scenarios is currently limited by the fact that these processes can be simulated only when these three characteristics of the process can be simulated exactly. In order to overcome this problem, we introduce discretisation schemes for PDMPs which make their approximate simulation possible. In particular, we design both first order and higher order schemes that rely on approximations of one or more of the three characteristics. For the proposed approximation schemes we study both pathwise convergence to the continuous PDMP as the step size converges to zero and convergence in law to the invariant measure of the PDMP in the long time limit. Moreover, we apply our theoretical results to several PDMPs that arise from the computational statistics and mathematical biology literature.

The Bouncy Particle sampler (BPS) and the Zig-Zag sampler (ZZS) are continuous time, non-reversible Monte Carlo methods based on piecewise deterministic Markov processes. Experiments show that the speed of convergence of these samplers can be affected by the shape of the target distribution, as for instance in the case of anisotropic targets. We propose an adaptive scheme that iteratively learns all or part of the covariance matrix of the target and takes advantage of the obtained information to modify the underlying process with the aim of increasing the speed of convergence. Moreover, we define an adaptive scheme that automatically tunes the refreshment rate of the BPS or ZZS. We prove ergodicity and a law of large numbers for all the proposed adaptive algorithms. Finally, we show the benefits of the adaptive samplers with several numerical simulations.

The zig-zag process is a piecewise deterministic Markov process in position and velocity space. The process can be designed to have an arbitrary Gibbs type marginal probability density for its position coordinate, which makes it suitable for Monte Carlo simulation of continuous probability distributions. An important question in assessing the efficiency of this method is how fast the empirical measure converges to the stationary distribution of the process. In this paper we provide a partial answer to this question by characterizing the large deviations of the empirical measure from the stationary distribution. Based on the Feng-Kurtz approach, we develop an abstract framework aimed at encompassing piecewise deterministic Markov processes in position-velocity space. We derive explicit conditions for the zig-zag process to allow the Donsker-Varadhan variational formulation of the rate function, both for a compact setting (the torus) and one-dimensional Euclidean space. Finally we derive an explicit expression for the Donsker-Varadhan functional for the case of a compact state space and use this form of the rate function to address a key question concerning the optimal choice of the switching rate of the zig-zag process.

We introduce the use of the Zig-Zag sampler to the problem of sampling conditional diffusion processes (diffusion bridges). The Zig-Zag sampler is a rejection-free sampling scheme based on a non-reversible continuous piecewise deterministic Markov process. Similar to the Lévy–Ciesielski construction of a Brownian motion, we expand the diffusion path in a truncated Faber–Schauder basis. The coefficients within the basis are sampled using a Zig-Zag sampler. A key innovation is the use of the fully local algorithm for the Zig-Zag sampler that allows to exploit the sparsity structure implied by the dependency graph of the coefficients and by the subsampling technique to reduce the complexity of the algorithm. We illustrate the performance of the proposed methods in a number of examples.

Suppose X is a multidimensional diffusion process. Assume that at time zero the state of X is fully observed, but at time T>0 only linear combinations of its components are observed. That is, one only observes the vector L X_T for a given matrix L. In this paper we show how samples from the conditioned process can be generated. The main contribution of this paper is to prove that guided proposals, introduced in Schauer et al. (2017), can be used in a unified way for both uniformly and hypo-elliptic diffusions, also when L is not the identity matrix. This is illustrated by excellent performance in two challenging cases: a partially observed twice integrated diffusion with multiple wells and the partially observed FitzHugh-Nagumo model.

This paper introduces the Boomerang Sampler as a novel class of continuous-time non-reversible Markov chain Monte Carlo algorithms. The methodology begins by representing the target density as a density, $e^{-U}$, with respect to a prescribed (usually) Gaussian measure and constructs a continuous trajectory consisting of a piecewise elliptical path. The method moves from one elliptical orbit to another according to a rate function which can be written in terms of $U$. We demonstrate that the method is easy to implement and demonstrate empirically that it can out-perform existing benchmark piecewise deterministic Markov processes such as the bouncy particle sampler and the Zig-Zag. In the Bayesian statistics context, these competitor algorithms are of substantial interest in the large data context due to the fact that they can adopt data subsampling techniques which are exact (ie induce no error in the stationary distribution). We demonstrate theoretically and empirically that we can also construct a control-variate subsampling boomerang sampler which is also exact, and which possesses remarkable scaling properties in the large data limit. We furthermore illustrate a factorised version on the simulation of diffusion bridges.