Lasso is a seminal contribution to high-dimensional statistics, but it hinges on a tuning parameter that is difficult to calibrate in practice. A partial remedy for this problem is Square-Root Lasso, because it inherently calibrates to the noise variance. However, Square-Root Lasso still requires the calibration of a tuning parameter to all other aspects of the model. In this study, we introduce TREX, an alternative to Lasso with an inherent calibration to all aspects of the model. This adaptation to the entire model renders TREX an estimator that does not require any calibration of tuning parameters. We show that TREX can outperform cross-validated Lasso in terms of variable selection and computational efficiency. We also introduce a bootstrapped version of TREX that can further improve variable selection. We illustrate the promising performance of TREX both on synthetic data and on a recent high-dimensional biological data set that considers riboflavin production in B. subtilis.

Covariance and histogram image descriptors provide an effective way to capture information about images. Both excel when used in combination with special purpose distance metrics. For covariance descriptors these metrics measure the distance along the non-Euclidean Riemannian manifold of symmetric positive definite matrices. For histogram descriptors the Earth Mover's distance measures the optimal transport between two histograms. Although more precise, these distance metrics are very expensive to compute, making them impractical in many applications, even for data sets of only a few thousand examples. In this paper we present two methods to compress the size of covariance and histogram datasets with only marginal increases in test error for k-nearest neighbor classification. Specifically, we show that we can reduce data sets to 16% and in some cases as little as 2% of their original size, while approximately matching the test error of kNN classification on the full training set. In fact, because the compressed set is learned in a supervised fashion, it sometimes even outperforms the full data set, while requiring only a fraction of the space and drastically reducing test-time computation.

The Set Covering Machine (SCM) is a greedy learning algorithm that produces sparse classifiers. We extend the SCM for datasets that contain a huge number of features. The whole genetic material of living organisms is an example of such a case, where the number of feature exceeds 10^7. Three human pathogens were used to evaluate the performance of the SCM at predicting antimicrobial resistance. Our results show that the SCM compares favorably in terms of sparsity and accuracy against L1 and L2 regularized Support Vector Machines and CART decision trees. Moreover, the SCM was the only algorithm that could consider the full feature space. For all other algorithms, the latter had to be filtered as a preprocessing step.

We treat the problem of estimation of orientation parameters whose values are invariant to transformations from a spherical symmetry group. Previous work has shown that any such group-invariant distribution must satisfy a restricted finite mixture representation, which allows the orientation parameter to be estimated using an Expectation Maximization (EM) maximum likelihood (ML) estimation algorithm. In this paper, we introduce two parametric models for this spherical symmetry group estimation problem: 1) the hyperbolic Von Mises Fisher (VMF) mixture distribution and 2) the Watson mixture distribution. We also introduce a new EM-ML algorithm for clustering samples that come from mixtures of group-invariant distributions with different parameters. We apply the models to the problem of mean crystal orientation estimation under the spherically symmetric group associated with the crystal form, e.g., cubic or octahedral or hexahedral. Simulations and experiments establish the advantages of the extended EM-VMF and EM-Watson estimators for data acquired by Electron Backscatter Diffraction (EBSD) microscopy of a polycrystalline Nickel alloy sample.

To scale Gaussian processes (GPs) to large data sets we introduce the robust Bayesian Committee Machine (rBCM), a practical and scalable product-of-experts model for large-scale distributed GP regression. Unlike state-of-the-art sparse GP approximations, the rBCM is conceptually simple and does not rely on inducing or variational parameters. The key idea is to recursively distribute computations to independent computational units and, subsequently, recombine them to form an overall result. Efficient closed-form inference allows for straightforward parallelisation and distributed computations with a small memory footprint. The rBCM is independent of the computational graph and can be used on heterogeneous computing infrastructures, ranging from laptops to clusters. With sufficient computing resources our distributed GP model can handle arbitrarily large data sets.

Model-based clustering imposes a finite mixture modelling structure on data for clustering. Finite mixture models assume that the population is a convex combination of a finite number of densities, the distribution within each population is a basic assumption of each particular model. Among all distributions that have been tried, the generalized hyperbolic distribution has the advantage that is a generalization of several other methods, such as the Gaussian distribution, the skew t-distribution, etc. With specific parameters, it can represent either a symmetric or a skewed distribution. While its inherent flexibility is an advantage in many ways, it means the estimation of more parameters than its special and limiting cases. The aim of this work is to propose a mixture of generalized hyperbolic factor analyzers to introduce parsimony and extend the method to high dimensional data. This work can be seen as an extension of the mixture of factor analyzers model to generalized hyperbolic mixtures. The performance of our generalized hyperbolic factor analyzers is illustrated on real data, where it performs favourably compared to its Gaussian analogue.

We introduce a new, efficient, principled and backpropagation-compatible algorithm for learning a probability distribution on the weights of a neural network, called Bayes by Backprop. It regularises the weights by minimising a compression cost, known as the variational free energy or the expected lower bound on the marginal likelihood. We show that this principled kind of regularisation yields comparable performance to dropout on MNIST classification. We then demonstrate how the learnt uncertainty in the weights can be used to improve generalisation in non-linear regression problems, and how this weight uncertainty can be used to drive the exploration-exploitation trade-off in reinforcement learning.

In this paper we treat the problem of feature selection in unsupervised learning as a state-space search problem. We introduce three different heuristic functions and perform extensive experiments on datasets with tens, hundreds, and thousands of features. Namely, we test different search algorithms using the heuristic functions we introduce. Our results show that the heuristic search approach for feature selection in unsupervised learning problems can be far superior than traditional baselines such as PCA and random projections.

We develop a learning principle and an efficient algorithm for batch learning from logged bandit feedback. This learning setting is ubiquitous in online systems (e.g., ad placement, web search, recommendation), where an algorithm makes a prediction (e.g., ad ranking) for a given input (e.g., query) and observes bandit feedback (e.g., user clicks on presented ads). We first address the counterfactual nature of the learning problem through propensity scoring. Next, we prove generalization error bounds that account for the variance of the propensity-weighted empirical risk estimator. These constructive bounds give rise to the Counterfactual Risk Minimization (CRM) principle. We show how CRM can be used to derive a new learning method -- called Policy Optimizer for Exponential Models (POEM) -- for learning stochastic linear rules for structured output prediction. We present a decomposition of the POEM objective that enables efficient stochastic gradient optimization. POEM is evaluated on several multi-label classification problems showing substantially improved robustness and generalization performance compared to the state-of-the-art.

Change-point analysis is a flexible and computationally tractable tool for the analysis of times series data from systems that transition between discrete states and whose observables are corrupted by noise. The change-point algorithm is used to identify the time indices (change points) at which the system transitions between these discrete states. We present a unified information-based approach to testing for the existence of change points. This new approach reconciles two previously disparate approaches to Change-Point Analysis (frequentist and information-based) for testing transitions between states. The resulting method is statistically principled, parameter and prior free and widely applicable to a wide range of change-point problems.