Distance weighted discrimination (DWD) is a margin-based classifier with an interesting geometric motivation. DWD was originally proposed as a superior alternative to the support vector machine (SVM), however DWD is yet to be popular compared with the SVM. The main reasons are twofold. First, the state-of-the-art algorithm for solving DWD is based on the second-order-cone programming (SOCP), while the SVM is a quadratic programming problem which is much more efficient to solve. Second, the current statistical theory of DWD mainly focuses on the linear DWD for the high-dimension-low-sample-size setting and data-piling, while the learning theory for the SVM mainly focuses on the Bayes risk consistency of the kernel SVM. In fact, the Bayes risk consistency of DWD is presented as an open problem in the original DWD paper. In this work, we advance the current understanding of DWD from both computational and theoretical perspectives. We propose a novel efficient algorithm for solving DWD, and our algorithm can be several hundred times faster than the existing state-of-the-art algorithm based on the SOCP. In addition, our algorithm can handle the generalized DWD, while the SOCP algorithm only works well for a special DWD but not the generalized DWD. Furthermore, we consider a natural kernel DWD in a reproducing kernel Hilbert space and then establish the Bayes risk consistency of the kernel DWD. We compare DWD and the SVM on several benchmark data sets and show that the two have comparable classification accuracy, but DWD equipped with our new algorithm can be much faster to compute than the SVM.

We present a novel hybrid algorithm for Bayesian network structure learning, called Hybrid HPC (H2PC). It first reconstructs the skeleton of a Bayesian network and then performs a Bayesian-scoring greedy hill-climbing search to orient the edges. It is based on a subroutine called HPC, that combines ideas from incremental and divide-and-conquer constraint-based methods to learn the parents and children of a target variable. We conduct an experimental comparison of H2PC against Max-Min Hill-Climbing (MMHC), which is currently the most powerful state-of-the-art algorithm for Bayesian network structure learning, on several benchmarks with various data sizes. Our extensive experiments show that H2PC outperforms MMHC both in terms of goodness of fit to new data and in terms of the quality of the network structure itself, which is closer to the true dependence structure of the data. The source code (in R) of H2PC as well as all data sets used for the empirical tests are publicly available.

We are interested in solving the multiple measurement vector (MMV) problem for instances, where the underlying sparsity pattern exhibit spatio-temporal structure motivated by the electroencephalogram (EEG) source localization problem. We propose a probabilistic model that takes this structure into account by generalizing the structured spike and slab prior and the associated Expectation Propagation inference scheme. Based on numerical experiments, we demonstrate the viability of the model and the approximate inference scheme.

We present a novel approach for fully non-stationary Gaussian process regression (GPR), where all three key parameters -- noise variance, signal variance and lengthscale -- can be simultaneously input-dependent. We develop gradient-based inference methods to learn the unknown function and the non-stationary model parameters, without requiring any model approximations. We propose to infer full parameter posterior with Hamiltonian Monte Carlo (HMC), which conveniently extends the analytical gradient-based GPR learning by guiding the sampling with model gradients. We also learn the MAP solution from the posterior by gradient ascent. In experiments on several synthetic datasets and in modelling of temporal gene expression, the nonstationary GPR is shown to be necessary for modeling realistic input-dependent dynamics, while it performs comparably to conventional stationary or previous non-stationary GPR models otherwise.

We present a scalable Bayesian model for low-rank factorization of massive tensors with binary observations. The proposed model has the following key properties: (1) in contrast to the models based on the logistic or probit likelihood, using a zero-truncated Poisson likelihood for binary data allows our model to scale up in the number of \emph{ones} in the tensor, which is especially appealing for massive but sparse binary tensors; (2) side-information in form of binary pairwise relationships (e.g., an adjacency network) between objects in any tensor mode can also be leveraged, which can be especially useful in "cold-start" settings; and (3) the model admits simple Bayesian inference via batch, as well as \emph{online} MCMC; the latter allows scaling up even for \emph{dense} binary data (i.e., when the number of ones in the tensor/network is also massive). In addition, non-negative factor matrices in our model provide easy interpretability, and the tensor rank can be inferred from the data. We evaluate our model on several large-scale real-world binary tensors, achieving excellent computational scalability, and also demonstrate its usefulness in leveraging side-information provided in form of mode-network(s).

We present a Bayesian non-negative tensor factorization model for count-valued tensor data, and develop scalable inference algorithms (both batch and online) for dealing with massive tensors. Our generative model can handle overdispersed counts as well as infer the rank of the decomposition. Moreover, leveraging a reparameterization of the Poisson distribution as a multinomial facilitates conjugacy in the model and enables simple and efficient Gibbs sampling and variational Bayes (VB) inference updates, with a computational cost that only depends on the number of nonzeros in the tensor. The model also provides a nice interpretability for the factors; in our model, each factor corresponds to a "topic". We develop a set of online inference algorithms that allow further scaling up the model to massive tensors, for which batch inference methods may be infeasible. We apply our framework on diverse real-world applications, such as \emph{multiway} topic modeling on a scientific publications database, analyzing a political science data set, and analyzing a massive household transactions data set.

The problem of finding the most probable explanation to a designated set of variables given partial evidence (the MAP problem) is a notoriously intractable problem in Bayesian networks, both to compute exactly and to approximate. It is known, both from theoretical considerations and from practical experience, that low tree-width is typically an essential prerequisite to efficient exact computations in Bayesian networks. In this paper we investigate whether the same holds for approximating MAP. We define four notions of approximating MAP (by value, structure, rank, and expectation) and argue that all of them are intractable in general. We prove that efficient value-approximations, structure-approximations, and rank-approximations of MAP instances with high tree-width will violate the Exponential Time Hypothesis. In contrast, we show that MAP can sometimes be efficiently expectation-approximated, even in instances with high tree-width, if the most probable explanation has a high probability. We introduce the complexity class FERT, analogous to the class FTP, to capture this notion of fixed-parameter expectation-approximability. We suggest a road-map to future research that yields fixed-parameter tractable results for expectation-approximate MAP, even in graphs with high tree-width.

Uncovering causal relationships in data is a major objective of data analytics. Causal relationships are normally discovered with designed experiments, e.g. randomised controlled trials, which, however are expensive or infeasible to be conducted in many cases. Causal relationships can also be found using some well designed observational studies, but they require domain experts' knowledge and the process is normally time consuming. Hence there is a need for scalable and automated methods for causal relationship exploration in data. Classification methods are fast and they could be practical substitutes for finding causal signals in data. However, classification methods are not designed for causal discovery and a classification method may find false causal signals and miss the true ones. In this paper, we develop a causal decision tree where nodes have causal interpretations. Our method follows a well established causal inference framework and makes use of a classic statistical test. The method is practical for finding causal signals in large data sets.

Bayesian optimization has recently emerged as a popular and efficient tool for global optimization and hyperparameter tuning. Currently, the established Bayesian optimization practice requires a user-defined bounding box which is assumed to contain the optimizer. However, when little is known about the probed objective function, it can be difficult to prescribe such bounds. In this work we modify the standard Bayesian optimization framework in a principled way to allow automatic resizing of the search space. We introduce two alternative methods and compare them on two common synthetic benchmarking test functions as well as the tasks of tuning the stochastic gradient descent optimizer of a multi-layered perceptron and a convolutional neural network on MNIST.

Most existing binary classification methods target on the optimization of the overall classification risk and may fail to serve some real-world applications such as cancer diagnosis, where users are more concerned with the risk of misclassifying one specific class than the other. Neyman-Pearson (NP) paradigm was introduced in this context as a novel statistical framework for handling asymmetric type I/II error priorities. It seeks classifiers with a minimal type II error and a constrained type I error under a user specified level. This article is the first attempt to construct classifiers with guaranteed theoretical performance under the NP paradigm in high-dimensional settings. Based on the fundamental Neyman-Pearson Lemma, we used a plug-in approach to construct NP-type classifiers for Naive Bayes models. The proposed classifiers satisfy the NP oracle inequalities, which are natural NP paradigm counterparts of the oracle inequalities in classical binary classification. Besides their desirable theoretical properties, we also demonstrated their numerical advantages in prioritized error control via both simulation and real data studies.