We present a method for learning Bayesian networks from data sets containing thousands of variables without the need for structure constraints. Our approach is made of two parts. The first is a novel algorithm that effectively explores the space of possible parent sets of a node. It guides the exploration towards the most promising parent sets on the basis of an approximated score function that is computed in constant time. The second part is an improvement of an existing ordering-based algorithm for structure optimization. The new algorithm provably achieves a higher score compared to its original formulation. Our novel approach consistently outperforms the state of the art on very large data sets.

We show that the maximum-likelihood (ML) estimate of models derived from Luce's choice axiom (e.g., the Plackett-Luce model) can be expressed as the stationary distribution of a Markov chain. This conveys insight into several recently proposed spectral inference algorithms. We take advantage of this perspective and formulate a new spectral algorithm that is significantly more accurate than previous ones for the Plackett-Luce model. With a simple adaptation, this algorithm can be used iteratively, producing a sequence of estimates that converges to the ML estimate. The ML version runs faster than competing approaches on a benchmark of five datasets. Our algorithms are easy to implement, making them relevant for practitioners at large.

For many complex diseases, there is a wide variety of ways in which an individual can manifest the disease. The challenge of personalized medicine is to develop tools that can accurately predict the trajectory of an individual's disease, which can in turn enable clinicians to optimize treatments. We represent an individual's disease trajectory as a continuous-valued continuous-time function describing the severity of the disease over time. We propose a hierarchical latent variable model that individualizes predictions of disease trajectories.

Multi-output Gaussian processes provide a convenient framework for multi-task problems. An illustrative and motivating example of a multi-task problem is multi-region electrophysiological time-series data, where experimentalists are interested in both power and phase coherence between channels. Recently, Wilson and Adams (2013) proposed the spectral mixture (SM) kernel to model the spectral density of a single task in a Gaussian process framework. In this paper, we develop a novel covariance kernel for multiple outputs, called the cross-spectral mixture (CSM) kernel. This new, flexible kernel represents both the power and phase relationship between multiple observation channels. We demonstrate the expressive capabilities of the CSM kernel through implementation of a Bayesian hidden Markov model, where the emission distribution is a multi-output Gaussian process with a CSM covariance kernel. Results are presented for measured multi-region electrophysiological data.

Learning of low dimensional structure in multidimensional data is a canonical problem in machine learning. One common approach is to suppose that the observed data are close to a lower-dimensional smooth manifold. There are a rich variety of manifold learning methods available, which allow mapping of data points to the manifold. However, there is a clear lack of probabilistic methods that allow learning of the manifold along with the generative distribution of the observed data. The best attempt is the Gaussian process latent variable model (GP-LVM), but identifiability issues lead to poor performance. We solve these issues by proposing a novel Coulomb repulsive process (Corp) for locations of points on the manifold, inspired by physical models of electrostatic interactions among particles. Combining this process with a GP prior for the mapping function yields a novel electrostatic GP (electroGP) process. Focusing on the simple case of a one-dimensional manifold, we develop efficient inference algorithms, and illustrate substantially improved performance in a variety of experiments including filling in missing frames in video.

We consider the problem of binary classification when the covariates conditioned on the each of the response values follow multivariate Gaussian distributions. We focus on the setting where the covariance matrices for the two conditional distributions are the same. The corresponding generative model classifier, derived via the Bayes rule, also called Linear Discriminant Analysis, has been shown to behave poorly in high-dimensional settings. We present a novel analysis of the classification error of any linear discriminant approach given conditional Gaussian models. This allows us to compare the generative model classifier, other recently proposed discriminative approaches that directly learn the discriminant function, and then finally logistic regression which is another classical discriminative model classifier.

Submodular and supermodular functions have found wide applicability in machine learning, capturing notions such as diversity and regularity, respectively. These notions have deep consequences for optimization, and the problem of (approximately) optimizing submodular functions has received much attention. However, beyond optimization, these notions allow specifying expressive probabilistic models that can be used to quantify predictive uncertainty via marginal inference. Prominent, well-studied special cases include Ising models and determinantal point processes, but the general class of log-submodular and log-supermodular models is much richer and little studied. In this paper, we investigate the use of Markov chain Monte Carlo sampling to perform approximate inference in general log-submodular and log-supermodular models. In particular, we consider a simple Gibbs sampling procedure, and establish two sufficient conditions, the first guaranteeing polynomial-time, and the second fast (O(n log n)) mixing. We also evaluate the efficiency of the Gibbs sampler on three examples of such models, and compare against a recently proposed variational approach.

Inference is typically intractable in high-treewidth undirected graphical models, making maximum likelihood learning a challenge. One way to overcome this is to restrict parameters to a tractable set, most typically the set of tree-structured parameters. This paper explores an alternative notion of a tractable set, namely a set of "fast-mixing parameters" where Markov chain Monte Carlo (MCMC) inference can be guaranteed to quickly converge to the stationary distribution. While it is commonin practice to approximatethe likelihoodgradientusing samples obtained from MCMC, such procedureslack theoretical guarantees. This paper proves that for any exponential family with bounded sufficient statistics, (not just graphical models) when parameters are constrained to a fast-mixing set, gradient descent with gradients approximated by sampling will approximate the maximum likelihood solution inside the set with high-probability. When unregularized, to find a solution ϵ-accuratein log-likelihoodrequiresa total amountof effortcubic in 1/ϵ, disregarding logarithmic factors. When ridge-regularized, strong convexity allows asolutionϵ-accurate in parameter distance with effort quadratic in 1/ϵ. Bothof these provide of a fully-polynomial time randomized approximation scheme.

Restricted Boltzmann machines are undirected neural networks which have been shown to be effective in many applications, including serving as initializations for training deep multi-layer neural networks. One of the main reasons for their success is the existence of efficient and practical stochastic algorithms, such as contrastive divergence, for unsupervised training. We propose an alternative deterministic iterative procedure based on an improved mean field method from statistical physics known as the Thouless-Anderson-Palmer approach. We demonstrate that our algorithm provides performance equal to, and sometimes superior to, persistent contrastive divergence, while also providing a clear and easy to evaluate objective function. We believe that this strategy can be easily generalized to other models as well as to more accurate higher-order approximations, paving the way for systematic improvements in training Boltzmann machines with hidden units.

We introduce local expectation gradients which is a general purpose stochastic variational inference algorithm for constructing stochastic gradients by sampling from the variational distribution. This algorithm divides the problem of estimating the stochastic gradients over multiple variational parameters into smaller sub-tasks so that each sub-task explores intelligently the most relevant part of the variational distribution. This is achieved by performing an exact expectation over the single random variable that most correlates with the variational parameter of interest resulting in a Rao-Blackwellized estimate that has low variance. Our method works efficiently for both continuous and discrete random variables. Furthermore, the proposed algorithm has interesting similarities with Gibbs sampling but at the same time, unlike Gibbs sampling, can be trivially parallelized.