A latent space model for a family of random graphs assigns real-valued vectors to nodes of the graph such that edge probabilities are determined by latent positions. Latent space models provide a natural statistical framework for graph visualizing and clustering. A latent space model of particular interest is the Random Dot Product Graph (RDPG), which can be fit using an efficient spectral method; however, this method is based on a heuristic that can fail, even in simple cases. Here, we consider a closely related latent space model, the Logistic RDPG, which uses a logistic link function to map from latent positions to edge likelihoods. Over this model, we show that asymptotically exact maximum likelihood inference of latent position vectors can be achieved using an efficient spectral method. Our method involves computing top eigenvectors of a normalized adjacency matrix and scaling eigenvectors using a regression step. The novel regression scaling step is an essential part of the proposed method. In simulations, we show that our proposed method is more accurate and more robust than common practices. We also show the effectiveness of our approach over standard real networks of the karate club and political blogs.

This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to generate structures with certain specified desirable properties. We demonstrate how this model can execute a range of tasks such as generating analogues to a query structure and generating compounds predicted to be active against a biological target. As a proof of principle, the model is first trained to generate molecules that do not contain sulphur. As a second example, the model is trained to generate analogues to the drug Celecoxib, a technique that could be used for scaffold hopping or library expansion starting from a single molecule. Finally, when tuning the model towards generating compounds predicted to be active against the dopamine receptor type 2, the model generates structures of which more than 95% are predicted to be active, including experimentally confirmed actives that have not been included in either the generative model nor the activity prediction model.

The problem of low rank matrix completion is considered in this paper. To exploit the underlying low-rank structure of the data matrix, we propose a hierarchical Gaussian prior model, where columns of the low-rank matrix are assumed to follow a Gaussian distribution with zero mean and a common precision matrix, and a Wishart distribution is specified as a hyperprior over the precision matrix. We show that such a hierarchical Gaussian prior has the potential to encourage a low-rank solution. Based on the proposed hierarchical prior model, a variational Bayesian method is developed for matrix completion, where the generalized approximate massage passing (GAMP) technique is embedded into the variational Bayesian inference in order to circumvent cumbersome matrix inverse operations. Simulation results show that our proposed method demonstrates superiority over existing state-of-the-art matrix completion methods.

In this paper, we introduce a new sparsity-promoting prior, namely, the "normal product" prior, and develop an efficient algorithm for sparse signal recovery under the Bayesian framework. The normal product distribution is the distribution of a product of two normally distributed variables with zero means and possibly different variances. Like other sparsity-encouraging distributions such as the Student's $t$-distribution, the normal product distribution has a sharp peak at origin, which makes it a suitable prior to encourage sparse solutions. A two-stage normal product-based hierarchical model is proposed. We resort to the variational Bayesian (VB) method to perform the inference. Simulations are conducted to illustrate the effectiveness of our proposed algorithm as compared with other state-of-the-art compressed sensing algorithms.

Research on interference has provided evidence that the formation of dependencies between non-adjacent words relies on a cue-based retrieval mechanism. Two different models can account for one of the main predictions of interference, i.e., a slowdown at a retrieval site, when several items share a feature associated with a retrieval cue: Lewis and Vasishth's (2005) activation-based model and McElree's (2000) direct access model. Even though these two models have been used almost interchangeably, they are based on different assumptions and predict differences in the relationship between reading times and response accuracy. The activation-based model follows the assumptions of ACT-R, and its retrieval process behaves as a lognormal race between accumulators of evidence with a single variance. Under this model, accuracy of the retrieval is determined by the winner of the race and retrieval time by its rate of accumulation. In contrast, the direct access model assumes a model of memory where only the probability of retrieval varies between items; in this model, differences in latencies are a by-product of the possibility and repairing incorrect retrievals. We implemented both models in a Bayesian hierarchical framework in order to evaluate them and compare them. We show that some aspects of the data are better fit under the direct access model than under the activation-based model. We suggest that this finding does not rule out the possibility that retrieval may be behaving as a race model with assumptions that follow less closely the ones from the ACT-R framework. We show that by introducing a modification of the activation model, i.e, by assuming that the accumulation of evidence for retrieval of incorrect items is not only slower but noisier (i.e., different variances for the correct and incorrect items), the model can provide a fit as good as the one of the direct access model.

We present the Parallel, Forward-Backward with Pruning (PFBP) algorithm for feature selection (FS) in Big Data settings (high dimensionality and/or sample size). To tackle the challenges of Big Data FS PFBP partitions the data matrix both in terms of rows (samples, training examples) as well as columns (features). By employing the concepts of $p$-values of conditional independence tests and meta-analysis techniques PFBP manages to rely only on computations local to a partition while minimizing communication costs. Then, it employs powerful and safe (asymptotically sound) heuristics to make early, approximate decisions, such as Early Dropping of features from consideration in subsequent iterations, Early Stopping of consideration of features within the same iteration, or Early Return of the winner in each iteration. PFBP provides asymptotic guarantees of optimality for data distributions faithfully representable by a causal network (Bayesian network or maximal ancestral graph). Our empirical analysis confirms a super-linear speedup of the algorithm with increasing sample size, linear scalability with respect to the number of features and processing cores, while dominating other competitive algorithms in its class.

The problem of categorical data analysis in high dimensions is considered. A discussion of the fundamental difficulties of probability modeling is provided, and a solution to the derivation of high dimensional probability distributions based on Bayesian learning of clique tree decomposition is presented. The main contributions of this paper are an automated determination of the optimal clique tree structure for probability modeling, the resulting derived probability distribution, and a corresponding unified approach to clustering and anomaly detection based on the probability distribution.

Abstract--We present a novel approach for estimating conditional probability tables, based on a joint, rather than independent, estimate of the conditional distributions belonging to the same table. We derive exact analytical expressions for the estimators and we analyse their properties both analytically and via simulation. We then apply this method to the estimation of parameters in a Bayesian network. Given the structure of the network, the proposed approach better estimates the joint distribution and significantly improves the classification performance with respect to traditional approaches. I. INTRODUCTION A Bayesian network is a probabilistic model constituted by a directed acyclic graph (DAG) and a set of conditional probability tables (CPTs), one for each node. The CPT of node X contains the conditional probability distributions of X given each possible configuration of its parents. Usually all variables are discrete and the conditional distributions are estimated adopting a Multinomial-Dirichlet model, where the Dirichlet prior is characterised by the vector of hyper-parameters α . Y et, Bayesian estimation of multinomials is sensitive to the choice of α and inappropriate values cause the estimator to perform poorly [1].

We propose a general framework for reduced-rank modeling of matrix-valued data. By applying a generalized nuclear norm penalty we can directly model low-dimensional latent variables associated with rows and columns. Our framework flexibly incorporates row and column features, smoothing kernels, and other sources of side information by penalizing deviations from the row and column models. Moreover, a large class of these models can be estimated scalably using convex optimization. The computational bottleneck in each case is one singular value decomposition per iteration of a large but easy-to-apply matrix. Our framework generalizes traditional convex matrix completion and multi-task learning methods as well as maximum a posteriori estimation under a large class of popular hierarchical Bayesian models.

We consider the problem of parametric statistical inference when likelihood computations are prohibitively expensive but sampling from the model is possible. Several so-called likelihood-free methods have been developed to perform inference in the absence of a likelihood function. The popular synthetic likelihood approach infers the parameters by modelling summary statistics of the data by a Gaussian probability distribution. In another popular approach called approximate Bayesian computation, the inference is performed by identifying parameter values for which the summary statistics of the simulated data are close to those of the observed data. Synthetic likelihood is easier to use as no measure of "closeness" is required but the Gaussianity assumption is often limiting. Moreover, both approaches require judiciously chosen summary statistics. We here present an alternative inference approach that is as easy to use as synthetic likelihood but not as restricted in its assumptions, and that, in a natural way, enables automatic selection of relevant summary statistic from a large set of candidates. The basic idea is to frame the problem of estimating the posterior as a problem of estimating the ratio between the data generating distribution and the marginal distribution. This problem can be solved by logistic regression, and including regularising penalty terms enables automatic selection of the summary statistics relevant to the inference task. We illustrate the general theory on toy problems and use it to perform inference for stochastic nonlinear dynamical systems.