Mean field variational Bayes (MFVB) is a popular posterior approximation method due to its fast runtime on large-scale data sets. However, it is well known that a major failing of MFVB is that it underestimates the uncertainty of model variables (sometimes severely) and provides no information about model variable covariance. We develop a fast, general methodology for exponential families that augments MFVB to deliver accurate uncertainty estimates for model variables -- both for individual variables and coherently across variables. MFVB for exponential families defines a fixed-point equation in the means of the approximating posterior, and our approach yields a covariance estimate by perturbing this fixed point. Inspired by linear response theory, we call our method linear response variational Bayes (LRVB). We also show how LRVB can be used to quickly calculate a measure of the influence of individual data points on parameter point estimates. We demonstrate the accuracy and scalability of our method by learning Gaussian mixture models for both simulated and real data.

Mixture modelling involves explaining some observed evidence using a combination of probability distributions. The crux of the problem is the inference of an optimal number of mixture components and their corresponding parameters. This paper discusses unsupervised learning of mixture models using the Bayesian Minimum Message Length (MML) criterion. To demonstrate the effectiveness of search and inference of mixture parameters using the proposed approach, we select two key probability distributions, each handling fundamentally different types of data: the multivariate Gaussian distribution to address mixture modelling of data distributed in Euclidean space, and the multivariate von Mises-Fisher (vMF) distribution to address mixture modelling of directional data distributed on a unit hypersphere. The key contributions of this paper, in addition to the general search and inference methodology, include the derivation of MML expressions for encoding the data using multivariate Gaussian and von Mises-Fisher distributions, and the analytical derivation of the MML estimates of the parameters of the two distributions. Our approach is tested on simulated and real world data sets. For instance, we infer vMF mixtures that concisely explain experimentally determined three-dimensional protein conformations, providing an effective null model description of protein structures that is central to many inference problems in structural bioinformatics. The experimental results demonstrate that the performance of our proposed search and inference method along with the encoding schemes improve on the state of the art mixture modelling techniques.

This paper deals with the binary classification task when the target class has the lower probability of occurrence. In such situation, it is not possible to build a powerful classifier by using standard methods such as logistic regression, classification tree, discriminant analysis, etc. To overcome this short-coming of these methods which yield classifiers with low sensibility, we tackled the classification problem here through an approach based on the association rules learning. This approach has the advantage of allowing the identification of the patterns that are well correlated with the target class. Association rules learning is a well known method in the area of data-mining. It is used when dealing with large database for unsupervised discovery of local patterns that expresses hidden relationships between input variables. In considering association rules from a supervised learning point of view, a relevant set of weak classifiers is obtained from which one derives a classifier that performs well.

We consider the problem of noisy 1-bit matrix completion under an exact rank constraint on the true underlying matrix $M^*$. Instead of observing a subset of the noisy continuous-valued entries of a matrix $M^*$, we observe a subset of noisy 1-bit (or binary) measurements generated according to a probabilistic model. We consider constrained maximum likelihood estimation of $M^*$, under a constraint on the entry-wise infinity-norm of $M^*$ and an exact rank constraint. This is in contrast to previous work which has used convex relaxations for the rank. We provide an upper bound on the matrix estimation error under this model. Compared to the existing results, our bound has faster convergence rate with matrix dimensions when the fraction of revealed 1-bit observations is fixed, independent of the matrix dimensions. We also propose an iterative algorithm for solving our nonconvex optimization with a certificate of global optimality of the limiting point. This algorithm is based on low rank factorization of $M^*$. We validate the method on synthetic and real data with improved performance over existing methods.

A generative Bayesian model is developed for deep (multi-layer) convolutional dictionary learning. A novel probabilistic pooling operation is integrated into the deep model, yielding efficient bottom-up and top-down probabilistic learning. After learning the deep convolutional dictionary, testing is implemented via deconvolutional inference. To speed up this inference, a new statistical approach is proposed to project the top-layer dictionary elements to the data level. Following this, only one layer of deconvolution is required during testing. Experimental results demonstrate powerful capabilities of the model to learn multi-layer features from images. Excellent classification results are obtained on both the MNIST and Caltech 101 datasets.

In this letter, we address sparse signal recovery using spike and slab priors. In particular, we focus on a Bayesian framework where sparsity is enforced on reconstruction coefficients via probabilistic priors. The optimization resulting from spike and slab prior maximization is known to be a hard non-convex problem, and existing solutions involve simplifying assumptions and/or relaxations. We propose an approach called Iterative Convex Refinement (ICR) that aims to solve the aforementioned optimization problem directly allowing for greater generality in the sparse structure. Essentially, ICR solves a sequence of convex optimization problems such that sequence of solutions converges to a sub-optimal solution of the original hard optimization problem. We propose two versions of our algorithm: a.) an unconstrained version, and b.) with a non-negativity constraint on sparse coefficients, which may be required in some real-world problems. Experimental validation is performed on both synthetic data and for a real-world image recovery problem, which illustrates merits of ICR over state of the art alternatives.

The natural habitat of most Bayesian methods is data represented by exchangeable sequences of observations, for which de Finetti's theorem provides the theoretical foundation. Dirichlet process clustering, Gaussian process regression, and many other parametric and nonparametric Bayesian models fall within the remit of this framework; many problems arising in modern data analysis do not. This article provides an introduction to Bayesian models of graphs, matrices, and other data that can be modeled by random structures. We describe results in probability theory that generalize de Finetti's theorem to such data and discuss their relevance to nonparametric Bayesian modeling. With the basic ideas in place, we survey example models available in the literature; applications of such models include collaborative filtering, link prediction, and graph and network analysis. We also highlight connections to recent developments in graph theory and probability, and sketch the more general mathematical foundation of Bayesian methods for other types of data beyond sequences and arrays.

In view of the paradigm shift that makes science ever more data-driven, in this thesis we propose a synthesis method for encoding and managing large-scale deterministic scientific hypotheses as uncertain and probabilistic data. In the form of mathematical equations, hypotheses symmetrically relate aspects of the studied phenomena. For computing predictions, however, deterministic hypotheses can be abstracted as functions. We build upon Simon's notion of structural equations in order to efficiently extract the (so-called) causal ordering between variables, implicit in a hypothesis structure (set of mathematical equations). We show how to process the hypothesis predictive structure effectively through original algorithms for encoding it into a set of functional dependencies (fd's) and then performing causal reasoning in terms of acyclic pseudo-transitive reasoning over fd's. Such reasoning reveals important causal dependencies implicit in the hypothesis predictive data and guide our synthesis of a probabilistic database. Like in the field of graphical models in AI, such a probabilistic database should be normalized so that the uncertainty arisen from competing hypotheses is decomposed into factors and propagated properly onto predictive data by recovering its joint probability distribution through a lossless join. That is motivated as a design-theoretic principle for data-driven hypothesis management and predictive analytics. The method is applicable to both quantitative and qualitative deterministic hypotheses and demonstrated in realistic use cases from computational science.

Information divergence functions play a critical role in statistics and information theory. In this paper we show that a non-parametric f-divergence measure can be used to provide improved bounds on the minimum binary classification probability of error for the case when the training and test data are drawn from the same distribution and for the case where there exists some mismatch between training and test distributions. We confirm the theoretical results by designing feature selection algorithms using the criteria from these bounds and by evaluating the algorithms on a series of pathological speech classification tasks.

A key quantity of interest in Bayesian inference are expectations of functions with respect to a posterior distribution. Markov Chain Monte Carlo is a fundamental tool to consistently compute these expectations via averaging samples drawn from an approximate posterior. However, its feasibility is being challenged in the era of so called Big Data as all data needs to be processed in every iteration. Realising that such simulation is an unnecessarily hard problem if the goal is estimation, we construct a computationally scalable methodology that allows unbiased estimation of the required expectations -- without explicit simulation from the full posterior. The scheme's variance is finite by construction and straightforward to control, leading to algorithms that are provably unbiased and naturally arrive at a desired error tolerance. This is achieved at an average computational complexity that is sub-linear in the size of the dataset and its free parameters are easy to tune. We demonstrate the utility and generality of the methodology on a range of common statistical models applied to large-scale benchmark and real-world datasets.