We propose a Bayesian approximate inference method for learning the dependence structure of a Gaussian graphical model. Using pseudo-likelihood, we derive an analytical expression to approximate the marginal likelihood for an arbitrary graph structure without invoking any assumptions about decomposability. The majority of the existing methods for learning Gaussian graphical models are either restricted to decomposable graphs or require specification of a tuning parameter that may have a substantial impact on learned structures. By combining a simple sparsity inducing prior for the graph structures with a default reference prior for the model parameters, we obtain a fast and easily applicable scoring function that works well for even high-dimensional data. We demonstrate the favourable performance of our approach by large-scale comparisons against the leading methods for learning non-decomposable Gaussian graphical models. A theoretical justification for our method is provided by showing that it yields a consistent estimator of the graph structure.

Our paper deals with inferring simulator-based statistical models given some observed data. A simulator-based model is a parametrized mechanism which specifies how data are generated. It is thus also referred to as generative model. We assume that only a finite number of parameters are of interest and allow the generative process to be very general; it may be a noisy nonlinear dynamical system with an unrestricted number of hidden variables. This weak assumption is useful for devising realistic models but it renders statistical inference very difficult. The main challenge is the intractability of the likelihood function. Several likelihood-free inference methods have been proposed which share the basic idea of identifying the parameters by finding values for which the discrepancy between simulated and observed data is small. A major obstacle to using these methods is their computational cost. The cost is largely due to the need to repeatedly simulate data sets and the lack of knowledge about how the parameters affect the discrepancy. We propose a strategy which combines probabilistic modeling of the discrepancy with optimization to facilitate likelihood-free inference. The strategy is implemented using Bayesian optimization and is shown to accelerate the inference through a reduction in the number of required simulations by several orders of magnitude.

Some statistical models are specified via a data generating process for which the likelihood function cannot be computed in closed form. Standard likelihood-based inference is then not feasible but the model parameters can be inferred by finding the values which yield simulated data that resemble the observed data. This approach faces at least two major difficulties: The first difficulty is the choice of the discrepancy measure which is used to judge whether the simulated data resemble the observed data. The second difficulty is the computationally efficient identification of regions in the parameter space where the discrepancy is low. We give here an introduction to our recent work where we tackle the two difficulties through classification and Bayesian optimization.

Undirected graphical models known as Markov networks are popular for a wide variety of applications ranging from statistical physics to computational biology. Traditionally, learning of the network structure has been done under the assumption of chordality which ensures that efficient scoring methods can be used. In general, non-chordal graphs have intractable normalizing constants which renders the calculation of Bayesian and other scores difficult beyond very small-scale systems. Recently, there has been a surge of interest towards the use of regularized pseudo-likelihood methods for structural learning of large-scale Markov network models, as such an approach avoids the assumption of chordality. The currently available methods typically necessitate the use of a tuning parameter to adapt the level of regularization for a particular dataset, which can be optimized for example by cross-validation. Here we introduce a Bayesian version of pseudo-likelihood scoring of Markov networks, which enables an automatic regularization through marginalization over the nuisance parameters in the model. We prove consistency of the resulting MPL estimator for the network structure via comparison with the pseudo information criterion. Identification of the MPL-optimal network on a prescanned graph space is considered with both greedy hill climbing and exact pseudo-Boolean optimization algorithms. We find that for reasonable sample sizes the hill climbing approach most often identifies networks that are at a negligible distance from the restricted global optimum. Using synthetic and existing benchmark networks, the marginal pseudo-likelihood method is shown to generally perform favorably against recent popular inference methods for Markov networks.

Log-linear models are the popular workhorses of analyzing contingency tables. A log-linear parameterization of an interaction model can be more expressive than a direct parameterization based on probabilities, leading to a powerful way of defining restrictions derived from marginal, conditional and context-specific independence. However, parameter estimation is often simpler under a direct parameterization, provided that the model enjoys certain decomposability properties. Here we introduce a cyclical projection algorithm for obtaining maximum likelihood estimates of log-linear parameters under an arbitrary context-specific graphical log-linear model, which needs not satisfy criteria of decomposability. We illustrate that lifting the restriction of decomposability makes the models more expressive, such that additional context-specific independencies embedded in real data can be identified. It is also shown how a context-specific graphical model can correspond to a non-hierarchical log-linear parameterization with a concise interpretation. This observation can pave way to further development of non-hierarchical log-linear models, which have been largely neglected due to their believed lack of interpretability.

An inductive probabilistic classification rule must generally obey the principles of Bayesian predictive inference, such that all observed and unobserved stochastic quantities are jointly modeled and the parameter uncertainty is fully acknowledged through the posterior predictive distribution. Several such rules have been recently considered and their asymptotic behavior has been characterized under the assumption that the observed features or variables used for building a classifier are conditionally independent given a simultaneous labeling of both the training samples and those from an unknown origin. Here we extend the theoretical results to predictive classifiers acknowledging feature dependencies either through graphical models or sparser alternatives defined as stratified graphical models. We also show through experimentation with both synthetic and real data that the predictive classifiers based on stratified graphical models have consistently best accuracy compared with the predictive classifiers based on either conditionally independent features or on ordinary graphical models.

We investigate the problem of learning the structure of a Markov network from data. It is shown that the structure of such networks can be described in terms of constraints which enables the use of existing solver technology with optimization capabilities to compute optimal networks starting from initial scores computed from the data. To achieve efficient encodings, we develop a novel characterization of Markov network structure using a balancing condition on the separators between cliques forming the network. The resulting translations into propositional satisfiability and its extensions such as maximum satisfiability, satisfiability modulo theories, and answer set programming, enable us to prove the optimality of networks which have been previously found by stochastic search.

We introduce a novel class of labeled directed acyclic graph (LDAG) models for finite sets of discrete variables. LDAGs generalize earlier proposals for allowing local structures in the conditional probability distribution of a node, such that unrestricted label sets determine which edges can be deleted from the underlying directed acyclic graph (DAG) for a given context. Several properties of these models are derived, including a generalization of the concept of Markov equivalence classes. Efficient Bayesian learning of LDAGs is enabled by introducing an LDAG-based factorization of the Dirichlet prior for the model parameters, such that the marginal likelihood can be calculated analytically. In addition, we develop a novel prior distribution for the model structures that can appropriately penalize a model for its labeling complexity. A non-reversible Markov chain Monte Carlo algorithm combined with a greedy hill climbing approach is used for illustrating the useful properties of LDAG models for both real and synthetic data sets.