If used for optimization,E(θ) is the function we are interested in minimizing.

Guiding pretrained flow-based generative models for conditional generation or to produce samples with desired target properties enables solving diverse tasks without retraining on paired data. We present ESS-Flow, a gradient-free method that leverages the typically Gaussian prior of the source distribution in flow-based models to perform Bayesian inference directly in the source space using Elliptical Slice Sampling. ESS-Flow only requires forward passes through the generative model and observation process, no gradient or Jacobian computations, and is applicable even when gradients are unreliable or unavailable, such as with simulation-based observations or quantization in the generation or observation process. We demonstrate its effectiveness on designing materials with desired target properties and predicting protein structures from sparse inter-residue distance measurements. In generative modeling, we are given data samples and aim to construct a sampler that approximates the data distribution. Diffusion models (Ho et al., 2020; Song et al., 2021) and continuous normalizing flows (Lipman et al., 2023; Liu et al., 2023; Albergo et al., 2023) achieve this by transporting samples from a simple source distribution to the data distribution.

Prescott and Baker (2020) propose a multi-fidelity approach to ABC. In our work, the Russian roulette estimator is used to construct an unbiased, low-fidelity likelihood.

With the advent of automatic vectorization tools (e.g., JAX's $\texttt{vmap}$), writing multi-chain MCMC algorithms is often now as simple as invoking those tools on single-chain code. Whilst convenient, for various MCMC algorithms this results in a synchronization problem -- loosely speaking, at each iteration all chains running in parallel must wait until the last chain has finished drawing its sample. In this work, we show how to design single-chain MCMC algorithms in a way that avoids synchronization overheads when vectorizing with tools like $\texttt{vmap}$ by using the framework of finite state machines (FSMs). Using a simplified model, we derive an exact theoretical form of the obtainable speed-ups using our approach, and use it to make principled recommendations for optimal algorithm design. We implement several popular MCMC algorithms as FSMs, including Elliptical Slice Sampling, HMC-NUTS, and Delayed Rejection, demonstrating speed-ups of up to an order of magnitude in experiments.

Review update: Thanks for the response. It addressed my concerns well, and the SM kernel comparison seemed to give consistent results. The paper includes extensive empirical evidence to support FKL's superior performance over common kernels. However, from my perspective it can benefit from some improvements on certain theoretical and empirical aspects. Here are my detailed comments on said aspects.

We discuss the well-definedness of elliptical slice sampling, a Markov chain approach for approximate sampling of posterior distributions introduced by Murray, Adams and MacKay 2010. We point to a regularity requirement and provide an alternative proof of the reversibility property. In particular, this guarantees the correctness of the slice sampling scheme also on infinite-dimensional separable Hilbert spaces.

For Bayesian learning, given likelihood function and Gaussian prior, the elliptical slice sampler, introduced by Murray, Adams and MacKay 2010, provides a tool for the construction of a Markov chain for approximate sampling of the underlying posterior distribution. Besides of its wide applicability and simplicity its main feature is that no tuning is necessary. Under weak regularity assumptions on the posterior density we show that the corresponding Markov chain is geometrically ergodic and therefore yield qualitative convergence guarantees. We illustrate our result for Gaussian posteriors as they appear in Gaussian process regression, as well as in a setting of a multi-modal distribution. Remarkably, our numerical experiments indicate a dimension-independent performance of elliptical slice sampling even in situations where our ergodicity result does not apply.

Many probabilistic models introduce strong dependencies between variables using a latent multivariate Gaussian distribution or a Gaussian process. We present a new Markov chain Monte Carlo algorithm for performing inference in models with multivariate Gaussian priors. Its key properties are: 1) it has simple, generic code applicable to many models, 2) it has no free parameters, 3) it works well for a variety of Gaussian process based models. These properties make our method ideal for use while model building, removing the need to spend time deriving and tuning updates for more complex algorithms.