We propose a Las Vegas transformation of Markov Chain Monte Carlo (MCMC) estimators of Restricted Boltzmann Machines (RBMs). We denote our approach Markov Chain Las Vegas (MCLV). MCLV gives statistical guarantees in exchange for random running times. MCLV uses a stopping set built from the training data and has maximum number of Markov chain steps K (referred as MCLV-K). We present a MCLV-K gradient estimator (LVS-K) for RBMs and explore the correspondence and differences between LVS-K and Contrastive Divergence (CD-K), with LVS-K significantly outperforming CD-K training RBMs over the MNIST dataset, indicating MCLV to be a promising direction in learning generative models.

Feature selection plays a critical role in data mining, driven by increasing feature dimensionality in target problems and growing interest in advanced but computationally expensive methodologies able to model complex associations. Specifically, there is a need for feature selection methods that are computationally efficient, yet sensitive to complex patterns of association, e.g. interactions, so that informative features are not mistakenly eliminated prior to downstream modeling. This paper focuses on Relief-based algorithms (RBAs), a unique family of filter-style feature selection algorithms that strike an effective balance between these objectives while flexibly adapting to various data characteristics, e.g. classification vs. regression. First, this work broadly examines types of feature selection and defines RBAs within that context. Next, we introduce the original Relief algorithm and associated concepts, emphasizing the intuition behind how it works, how feature weights generated by the algorithm can be interpreted, and why it is sensitive to feature interactions without evaluating combinations of features. Lastly, we include an expansive review of RBA methodological research beyond Relief and its popular descendant, ReliefF. In particular, we characterize branches of RBA research, and provide comparative summaries of RBA algorithms including contributions, strategies, functionality, time complexity, adaptation to key data characteristics, and software availability.

We present an efficient alternating direction method of multipliers (ADMM) algorithm for segmenting a multivariate non-stationary time series with structural breaks into stationary regions. We draw from recent work where the series is assumed to follow a vector autoregressive model within segments and a convex estimation procedure may be formulated using group fused lasso penalties. Our ADMM approach first splits the convex problem into a global quadratic program and a simple group lasso proximal update. We show that the global problem may be parallelized over rows of the time dependent transition matrices and furthermore that each subproblem may be rewritten in a form identical to the log-likelihood of a Gaussian state space model. Consequently, we develop a Kalman smoothing algorithm to solve the global update in time linear in the length of the series.

In this paper, a scale mixture of Normal distributions model is developed for classification and clustering of data having outliers and missing values. The classification method, based on a mixture model, focuses on the introduction of latent variables that gives us the possibility to handle sensitivity of model to outliers and to allow a less restrictive modelling of missing data. Inference is processed through a Variational Bayesian Approximation and a Bayesian treatment is adopted for model learning, supervised classification and clustering.

Deep Learning models are vulnerable to adversarial examples, i.e.\ images obtained via deliberate imperceptible perturbations, such that the model misclassifies them with high confidence. However, class confidence by itself is an incomplete picture of uncertainty. We therefore use principled Bayesian methods to capture model uncertainty in prediction for observing adversarial misclassification. We provide an extensive study with different Bayesian neural networks attacked in both white-box and black-box setups. The behaviour of the networks for noise, attacks and clean test data is compared. We observe that Bayesian neural networks are uncertain in their predictions for adversarial perturbations, a behaviour similar to the one observed for random Gaussian perturbations. Thus, we conclude that Bayesian neural networks can be considered for detecting adversarial examples.

The Whittle likelihood is a widely used and computationally efficient pseudo-likelihood. However, it is known to produce biased parameter estimates for large classes of models. We propose a method for de-biasing Whittle estimates for second-order stationary stochastic processes. The de-biased Whittle likelihood can be computed in the same $\mathcal{O}(n\log n)$ operations as the standard approach. We demonstrate the superior performance of the method in simulation studies and in application to a large-scale oceanographic dataset, where in both cases the de-biased approach reduces bias by up to two orders of magnitude, achieving estimates that are close to exact maximum likelihood, at a fraction of the computational cost. We prove that the method yields estimates that are consistent at an optimal convergence rate of $n^{-1/2}$, under weaker assumptions than standard theory, where we do not require that the power spectral density is continuous in frequency. We describe how the method can be easily combined with standard methods of bias reduction, such as tapering and differencing, to further reduce bias in parameter estimates.

New KDnuggets Poll is asking: Which Data Science / Machine Learning methods and tools you used in the past 12 months for work or a real-world project? Please vote below and we will summarize the results and examine the trends in early December. Poll Which Data Science / Machine Learning methods and tools you used in the past 12 months for a real-world application? Kaggle survey asked: What data science methods are used at work? and the top answers were Gradient Boosted Machines

We study the problem of nonnegative rank-one approximation of a nonnegative tensor, and show that the globally optimal solution that minimizes the generalized Kullback-Leibler divergence can be efficiently obtained, i.e., it is not NP-hard. This result works for arbitrary nonnegative tensors with an arbitrary number of modes (including two, i.e., matrices). We derive a closed-form expression for the KL principal component, which is easy to compute and has an intuitive probabilistic interpretation. For generalized KL approximation with higher ranks, the problem is for the first time shown to be equivalent to multinomial latent variable modeling, and an iterative algorithm is derived that resembles the expectation-maximization algorithm. On the Iris dataset, we showcase how the derived results help us learn the model in an \emph{unsupervised} manner, and obtain strikingly close performance to that from supervised methods.

Domain generalization is the problem of assigning class labels to an unlabeled test data set, given several labeled training data sets drawn from similar distributions. This problem arises in several applications where data distributions fluctuate because of biological, technical, or other sources of variation. We develop a distribution-free, kernel-based approach that predicts a classifier from the marginal distribution of features, by leveraging the trends present in related classification tasks. This approach involves identifying an appropriate reproducing kernel Hilbert space and optimizing a regularized empirical risk over the space. We present generalization error analysis, describe universal kernels, and establish universal consistency of the proposed methodology. Experimental results on synthetic data and three real data applications demonstrate the superiority of the method with respect to a pooling strategy.

The EM algorithm is one of many important tools in the field of statistics. While often used for imputing missing data, its widespread applications include other common statistical tasks, such as clustering. In clustering, the EM algorithm assumes a parametric distribution for the clusters, whose parameters are estimated through a novel iterative procedure that is based on the theory of maximum likelihood. However, one major drawback of the EM algorithm, that renders it impractical especially when working with large datasets, is that it often requires several passes of the data before convergence. In this paper, we introduce a new EM-style algorithm that implements a novel policy for performing partial E-steps. We call the new algorithm the EM-Tau algorithm, which can approximate the traditional EM algorithm with high accuracy but with only a fraction of the running time.