Daniel Rudolf

Slice sampling is a well-established Markov chain Monte Carlo method for (approximate) sampling of target distributions which are only known up to a normalizing constant. The method is based on choosing a new state on a slice, i.e., a superlevel set of the given unnormalized target density (with respect to a reference measure). However, slice sampling algorithms usually require per step multiple evaluations of the target density, and thus can become computationally expensive. This is particularly the case for Bayesian inference with costly likelihoods. In this paper, we exploit deterministic approximations of the target density, which are relatively cheap to evaluate, and propose delayed acceptance versions of hybrid slice samplers. We show ergodicity of the resulting slice sampling methods, discuss the superiority of delayed acceptance (ideal) slice sampling over delayed acceptance Metropolis-Hastings algorithms, and illustrate the benefits of our novel approach in terms improved computational efficiency in several numerical experiments.

It is known that the simple slice sampler has robust convergence properties; however, the class of problems where it can be implemented is limited. In contrast, we consider hybrid slice samplers which are easily implementable and where another Markov chain approximately samples the uniform distribution on each slice. Under appropriate assumptions on the Markov chain on the slice, we give a lower bound and an upper bound of the spectral gap of the hybrid slice sampler in terms of the spectral gap of the simple slice sampler. An immediate consequence of this is that the spectral gap and geometric ergodicity of the hybrid slice sampler can be concluded from the spectral gap and geometric ergodicity of the simple version, which is very well understood. These results indicate that robustness properties of the simple slice sampler are inherited by (appropriately designed) easily implementable hybrid versions. We apply the developed theory and analyze a number of specific algorithms, such as the stepping-out shrinkage slice sampling, hit-and-run slice sampling on a class of multivariate targets, and an easily implementable combination of both procedures on multidimensional bimodal densities.

It is known that the simple slice sampler has robust convergence properties, however the class of problems where it can be implemented is limited. In contrast, we consider hybrid slice samplers which are easily implementable and where another Markov chain approximately samples the uniform distribution on each slice. Under appropriate assumptions on the Markov chain on the slice we show a lower bound and an upper bound of the spectral gap of the hybrid slice sampler in terms of the spectral gap of the simple slice sampler. An immediate consequence of this is that spectral gap and geometric ergodicity of the hybrid slice sampler can be concluded from spectral gap and geometric ergodicity of its simple version which is very well understood. These results indicate that robustness properties of the simple slice sampler are inherited by (appropriately designed) easily implementable hybrid versions. We apply the developed theory and analyse a number of specific algorithms such as the stepping-out shrinkage slice sampling, hit-and-run slice sampling on a class of multivariate targets and an easily implementable combination of both procedures on multidimensional bimodal densities.

Polar slice sampling, a Markov chain construction for approximate sampling, performs, under suitable assumptions on the target and initial distribution, provably independent of the state space dimension. We extend the aforementioned result of Roberts and Rosenthal (Stoch Model 18(2):257–280, 2002) by developing a theory which identifies conditions, in terms of a generalized level set function, that imply an explicit lower bound on the spectral gap even in a general slice sampling context. Verifying the identified conditions for polar slice sampling yields a lower bound of 1/2 on the spectral gap for arbitrary dimension if the target density is rotationally invariant, log-concave along rays emanating from the origin and sufficiently smooth. The general theoretical result is potentially applicable beyond the polar slice sampling framework.

Polar slice sampling, a Markov chain construction for approximate sampling, performs, under suitable assumptions on the target and initial distribution, provably independent of the state space dimension. We extend the aforementioned result of Roberts & Rosenthal (2002) by developing a theory which identifies conditions, in terms of a generalized level set function, that imply an explicit lower bound on the spectral gap even in a general slice sampling context. Verifying the identified conditions for polar slice sampling yields a lower bound of 1/2 on the spectral gap for arbitrary dimension if the target density is rotationally invariant, log-concave along rays emanating from the origin and sufficiently smooth. The general theoretical result is potentially applicable beyond the polar slice sampling framework.

The principle of maximum entropy provides a canonical way to include measurement results into a thermodynamic ensemble. Observable features of a thermodynamic system, which are measured as averages over an ensemble are included into the partition function by using Lagrange multipliers. Applying this principle to the system’s energy leads to the well-known exponential form of the Boltzmann probability density. Here, we present a Bayesian approach to the estimation of maximum entropy parameters from nuclear Overhauser effect measurements in order to achieve a refined ensemble in molecular dynamics simulations. To achieve this goal, we leverage advances in the treatment of doubly intractable Bayesian inference problems by adaptive Markov Chain Monte Carlo methods. We illustrate the properties and viability of our method for alanine dipeptide as a simple model system and trp-cage as an example for a more complex peptide.

We consider Bayesian analysis on high‐dimensional spheres with angular central Gaussian priors. These priors model antipodally symmetric directional data, are easily defined in Hilbert spaces and occur, for instance, in Bayesian density estimation and binary level set inversion. In this paper we derive efficient Markov chain Monte Carlo methods for approximate sampling of posteriors with respect to these priors. Our approaches rely on lifting the sampling problem to the ambient Hilbert space and exploit existing dimension‐independent samplers in linear spaces. By a push‐forward Markov kernel construction we then obtain Markov chains on the sphere which inherit reversibility and spectral gap properties from samplers in linear spaces. Moreover, our proposed algorithms show dimension‐independent efficiency in numerical experiments.