Network data arises through the observation of relational information between a collection of entities, for example, friendships (relations) amongst a sample of people (entities). Traditionally, statistical models of such data have been developed to analyse a single network, that is, a single collection of entities and relations. More recently, attention has shifted to analysing samples of networks. A driving force has been the analysis of connectome data, arising in neuroscience applications, where a single network is observed for each patient in a study. These models typically assume, within each network, the entities are the units of observation, that is, more data equates to including more entities. However, an alternative paradigm considers relations—such as edges or paths—as the observational units, exemplified by email exchanges or user navigations across a website. This interaction network framework has generally been applied to single networks, without extending to the case where multiple such networks are observed, for instance, analysing navigation patterns from many users. Motivated by this gap, we propose a new Bayesian modelling framework to analyse such data. Our approach is based on practitioner-specified distance metrics between networks, allowing us to parameterise models analogous to Gaussian distributions in network space, using location and scale parameters. We address the key challenge of defining meaningful distances between interaction networks, proposing two new metrics with theoretical guarantees and practical computation strategies. To enable efficient Bayesian inference, we develop specialised Markov chain Monte Carlo (MCMC) algorithms within the involutive MCMC (iMCMC) framework, tailored to the doubly-intractable and discrete nature of the induced posteriors. Through simulation studies, we demonstrate the robustness and efficiency of our approach, and we showcase its applicability with a case study on a location-based social network (LSBN) dataset.

We introduce two new particle-based algorithms for learning latent variable models via marginal maximum likelihood estimation, including one which is entirely tuning-free. Our methods are based on the perspective of marginal maximum likelihood estimation as an optimization problem: namely, as the minimization of a free energy functional. One way to solve this problem is via the discretization of a gradient flow associated with the free energy. We study one such approach, which resembles an extension of Stein variational gradient descent, establishing a descent lemma which guarantees that the free energy decreases at each iteration. This method, and any other obtained as the discretization of the gradient flow, necessarily depends on a learning rate which must be carefully tuned by the practitioner in order to ensure convergence at a suitable rate. With this in mind, we also propose another algorithm for optimizing the free energy which is entirely learning rate free, based on coin betting techniques from convex optimization. We validate the performance of our algorithms across several numerical experiments, including several high-dimensional settings. Our results are competitive with existing particle-based methods, without the need for any hyperparameter tuning.

In recent years, interest in gradient-based optimization over Riemannian manifolds has surged. However, a significant challenge lies in the reliance on hyperparameters, especially the learning rate, which requires meticulous tuning by practitioners to ensure convergence at a suitable rate. In this work, we introduce innovative learning-rate-free algorithms for stochastic optimization over Riemannian manifolds, eliminating the need for hand-tuning and providing a more robust and user-friendly approach. We establish high probability convergence guarantees that are optimal, up to logarithmic factors, compared to the best-known optimally tuned rate in the deterministic setting. Our approach is validated through numerical experiments, demonstrating competitive performance against learning-rate-dependent algorithms.

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.

Continuous normalizing flows (CNFs) learn the probability path between a reference distribution and a target distribution by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a simple and inexpensive method for training CNFs in generative modeling, termed flow matching (FM). In this paper, we repurpose this method for probabilistic inference by incorporating Markovian sampling methods in evaluating the FM objective, and using the learned CNF to improve Monte Carlo sampling. Specifically, we propose an adaptive Markov chain Monte Carlo (MCMC) algorithm, which combines a local Markov transition kernel with a non-local, flow-informed transition kernel, defined using a CNF. This CNF is adapted on-the-fly using samples from the Markov chain, which are used to specify the probability path for the FM objective. Our method also includes an adaptive tempering mechanism that allows the discovery of multiple modes in the target distribution. Under mild assumptions, we establish convergence of our method to a local optimum of the FM objective. We then benchmark our approach on several synthetic and real-world examples, achieving similar performance to other state-of-the-art methods but often at a significantly lower computational cost.

We propose a new framework for efficiently sampling from complex probability distributions using a combination of normalizing flows and elliptical slice sampling (Murray et al., 2010). The central idea is to learn a diffeomorphism, through normalizing flows, that maps the non-Gaussian structure of the target distribution to an approximately Gaussian distribution. We then use the elliptical slice sampler, an efficient and tuning-free Markov chain Monte Carlo (MCMC) algorithm, to sample from the transformed distribution. The samples are then pulled back using the inverse normalizing flow, yielding samples that approximate the stationary target distribution of interest. Our transport elliptical slice sampler (TESS) is optimized for modern computer architectures, where its adaptation mechanism utilizes parallel cores to rapidly run multiple Markov chains for a few iterations. Numerical demonstrations show that TESS produces Monte Carlo samples from the target distribution with lower autocorrelation compared to non-transformed samplers, and demonstrates significant improvements in efficiency when compared to gradient-based proposals designed for parallel computer architectures, given a flexible enough diffeomorphism.

Stochastic gradient MCMC (SGMCMC) offers a scalable alternative to traditional MCMC, by constructing an unbiased estimate of the gradient of the log-posterior with a small, uniformly-weighted subsample of the data. While efficient to compute, the resulting gradient estimator may exhibit a high variance and impact sampler performance. The problem of variance control has been traditionally addressed by constructing a better stochastic gradient estimator, often using control variates. We propose to use a discrete, non-uniform probability distribution to preferentially subsample data points that have a greater impact on the stochastic gradient. In addition, we present a method of adaptively adjusting the subsample size at each iteration of the algorithm, so that we increase the subsample size in areas of the sample space where the gradient is harder to estimate. We demonstrate that such an approach can maintain the same level of accuracy while substantially reducing the average subsample size that is used.

In recent years, particle-based variational inference (ParVI) methods such as Stein variational gradient descent (SVGD) have grown in popularity as scalable methods for Bayesian inference. Unfortunately, the properties of such methods invariably depend on hyperparameters such as the learning rate, which must be carefully tuned by the practitioner in order to ensure convergence to the target measure at a suitable rate. In this paper, we introduce a suite of new particle-based methods for scalable Bayesian inference based on coin betting, which are entirely learning-rate free. We illustrate the performance of our approach on a range of numerical examples, including several high-dimensional models and datasets, demonstrating comparable performance to other ParVI algorithms with no need to tune a learning rate.

Sampling from posterior distributions using Markov chain Monte Carlo (MCMC) methods can require an exhaustive number of iterations, particularly when the posterior is multi-modal as the MCMC sampler can become trapped in a local mode for a large number of iterations. In this paper, we introduce the pseudo-extended MCMC method as a simple approach for improving the mixing of the MCMC sampler for multi-modal posterior distributions. The pseudo-extended method augments the state-space of the posterior using pseudo-samples as auxiliary variables. On the extended space, the modes of the posterior are connected, which allows the MCMC sampler to easily move between well-separated posterior modes. We demonstrate that the pseudo-extended approach delivers improved MCMC sampling over the Hamiltonian Monte Carlo algorithm on multi-modal posteriors, including Boltzmann machines and models with sparsity-inducing priors.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space the time-discretization error can dominate when we are near the boundary of the space. We demonstrate that because of this, current SGMCMC methods for the simplex struggle with sparse simplex spaces; when many of the components are close to zero. Unfortunately, many popular large-scale Bayesian models, such as network or topic models, require inference on sparse simplex spaces. To avoid the biases caused by this discretization error, we propose the stochastic Cox-Ingersoll-Ross process (SCIR), which removes all discretization error and we prove that samples from the SCIR process are asymptotically unbiased. We discuss how this idea can be extended to target other constrained spaces. Use of the SCIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.