Undirected graphical models are applied in genomics, protein structure prediction, and neuroscience to identify sparse interactions that underlie discrete data. Although Bayesian methods for inference would be favorable in these contexts, they are rarely used because they require doubly intractable Monte Carlo sampling. Here, we develop a framework for scalable Bayesian inference of discrete undirected models based on two new methods. The first is Persistent VI, an algorithm for variational inference of discrete undirected models that avoids doubly intractable MCMC and approximations of the partition function. The second is Fadeout, a reparameterization approach for variational inference under sparsity-inducing priors that captures a posteriori correlations between parameters and hyperparameters with noncentered parameterizations. We find that, together, these methods for variational inference substantially improve learning of sparse undirected graphical models in simulated and real problems from physics and biology.

We consider the problem of approximate Bayesian parameter inference in non-linear state-space models with intractable likelihoods. Sequential Monte Carlo with approximate Bayesian computations (SMC-ABC) is one approach to approximate the likelihood in this type of models. However, such approximations can be noisy and computationally costly which hinders efficient implementations using standard methods based on optimisation and Monte Carlo methods. We propose a computationally efficient novel method based on the combination of Gaussian process optimisation and SMC-ABC to create a Laplace approximation of the intractable posterior. We exemplify the proposed algorithm for inference in stochastic volatility models with both synthetic and real-world data as well as for estimating the Value-at-Risk for two portfolios using a copula model. We document speed-ups of between one and two orders of magnitude compared to state-of-the-art algorithms for posterior inference.

Relational data are usually highly incomplete in practice, which inspires us to leverage side information to improve the performance of community detection and link prediction. This paper presents a Bayesian probabilistic approach that incorporates various kinds of node attributes encoded in binary form in relational models with Poisson likelihood. Our method works flexibly with both directed and undirected relational networks. The inference can be done by efficient Gibbs sampling which leverages sparsity of both networks and node attributes. Extensive experiments show that our models achieve the state-of-the-art link prediction results, especially with highly incomplete relational data.

The Gumbel trick is a method to sample from a discrete probability distribution, or to estimate its normalizing partition function. The method relies on repeatedly applying a random perturbation to the distribution in a particular way, each time solving for the most likely configuration. We derive an entire family of related methods, of which the Gumbel trick is one member, and show that the new methods have superior properties in several settings with minimal additional computational cost. In particular, for the Gumbel trick to yield computational benefits for discrete graphical models, Gumbel perturbations on all configurations are typically replaced with so-called low-rank perturbations. We show how a subfamily of our new methods adapts to this setting, proving new upper and lower bounds on the log partition function and deriving a family of sequential samplers for the Gibbs distribution. Finally, we balance the discussion by showing how the simpler analytical form of the Gumbel trick enables additional theoretical results.

Bayesian optimization (BO) methods are useful for optimizing functions that are expensive to evaluate, lack an analytical expression and whose evaluations can be contaminated by noise. These methods rely on a probabilistic model of the objective function, typically a Gaussian process (GP), upon which an acquisition function is built. This function guides the optimization process and measures the expected utility of performing an evaluation of the objective at a new point. GPs assume continous input variables. When this is not the case, such as when some of the input variables take integer values, one has to introduce extra approximations. A common approach is to round the suggested variable value to the closest integer before doing the evaluation of the objective. We show that this can lead to problems in the optimization process and describe a more principled approach to account for input variables that are integer-valued. We illustrate in both synthetic and a real experiments the utility of our approach, which significantly improves the results of standard BO methods on problems involving integer-valued variables. Keywords: Parameter tuning, Bayesian optimization, Gaussian processes, Integer-valued variables.

We introduce a novel stochastic version of the non-reversible, rejection-free Bouncy Particle Sampler (BPS), a Markov process whose sample trajectories are piecewise linear. The algorithm is based on simulating first arrival times in a doubly stochastic Poisson process using the thinning method, and allows efficient sampling of Bayesian posteriors in big datasets. We prove that in the BPS no bias is introduced by noisy evaluations of the log-likelihood gradient. On the other hand, we argue that efficiency considerations favor a small, controllable bias in the construction of the thinning proposals, in exchange for faster mixing. We introduce a simple regression-based proposal intensity for the thinning method that controls this trade-off. We illustrate the algorithm in several examples in which it outperforms both unbiased, but slowly mixing stochastic versions of BPS, as well as biased stochastic gradient-based samplers.

Computational results demonstrate that posterior sampling for reinforcement learning (PSRL) dramatically outperforms algorithms driven by optimism, such as UCRL2. We provide insight into the extent of this performance boost and the phenomenon that drives it. We leverage this insight to establish an $\tilde{O}(H\sqrt{SAT})$ Bayesian expected regret bound for PSRL in finite-horizon episodic Markov decision processes, where $H$ is the horizon, $S$ is the number of states, $A$ is the number of actions and $T$ is the time elapsed. This improves upon the best previous bound of $\tilde{O}(H S \sqrt{AT})$ for any reinforcement learning algorithm.

A factor-graph representation of quantum-mechanical probabilities (involving any number of measurements) is proposed. Unlike standard statistical models, the proposed representation uses auxiliary variables (state variables) that are not random variables. All joint probability distributions are marginals of some complex-valued function $q$, and it is demonstrated how the basic concepts of quantum mechanics relate to factorizations and marginals of $q$.

We reinterpret multiplicative noise in neural networks as auxiliary random variables that augment the approximate posterior in a variational setting for Bayesian neural networks. We show that through this interpretation it is both efficient and straightforward to improve the approximation by employing normalizing flows (Rezende & Mohamed, 2015) while still allowing for local reparametrizations (Kingma et al., 2015) and a tractable lower bound (Ranganath et al., 2015; Maaløe et al., 2016). In experiments we show that with this new approximation we can significantly improve upon classical mean field for Bayesian neural networks on both predictive accuracy as well as predictive uncertainty.

Of course as an introductory book, we can only leave it at that: an introductory book. For the mathematically trained, they may cure the curiosity this text generates with other texts designed with mathematical analysis in mind. For the enthusiast with less mathematical background, or one who is not interested in the mathematics but simply the practice of Bayesian methods, this text should be sufficient and entertaining. The choice of PyMC as the probabilistic programming language is two-fold. As of this writing, there is currently no central resource for examples and explanations in the PyMC universe.