This paper proposes a boosting-based solution addressing metric learning problems for high-dimensional data. Distance measures have been used as natural measures of (dis)similarity and served as the foundation of various learning methods. The efficiency of distance-based learning methods heavily depends on the chosen distance metric. With increasing dimensionality and complexity of data, however, traditional metric learning methods suffer from poor scalability and the limitation due to linearity as the true signals are usually embedded within a low-dimensional nonlinear subspace. In this paper, we propose a nonlinear sparse metric learning algorithm via boosting. We restructure a global optimization problem into a forward stage-wise learning of weak learners based on a rank-one decomposition of the weight matrix in the Mahalanobis distance metric. A gradient boosting algorithm is devised to obtain a sparse rank-one update of the weight matrix at each step. Nonlinear features are learned by a hierarchical expansion of interactions incorporated within the boosting algorithm. Meanwhile, an early stopping rule is imposed to control the overall complexity of the learned metric. As a result, our approach guarantees three desirable properties of the final metric: positive semi-definiteness, low rank and element-wise sparsity. Numerical experiments show that our learning model compares favorably with the state-of-the-art methods in the current literature of metric learning.

Despite its popularity, it is widely recognized that the investigation of some theoretical aspects of clustering has been relatively sparse. One of the main reasons for this lack of theoretical results is surely the fact that, whereas for other statistical problems the theoretical population goal is clearly defined (as in regression or classification), for some of the clustering methodologies it is difficult to specify the population goal to which the data-based clustering algorithms should try to get close. This paper aims to provide some insight into the theoretical foundations of clustering by focusing on two main objectives: to provide an explicit formulation for the ideal population goal of the modal clustering methodology, which understands clusters as regions of high density; and to present two new loss functions, applicable in fact to any clustering methodology, to evaluate the performance of a data-based clustering algorithm with respect to the ideal population goal. In particular, it is shown that only mild conditions on a sequence of density estimators are needed to ensure that the sequence of modal clusterings that they induce is consistent.

Blind Source Separation (BSS) has proven to be a powerful tool for the analysis of composite patterns in engineering and science. We introduce Convex Analysis of Mixtures (CAM) for separating non-negative well-grounded sources, which learns the mixing matrix by identifying the lateral edges of the convex data scatter plot. We prove a sufficient and necessary condition for identifying the mixing matrix through edge detection, which also serves as the foundation for CAM to be applied not only to the exact-determined and over-determined cases, but also to the under-determined case. We show the optimality of the edge detection strategy, even for cases where source well-groundedness is not strictly satisfied. The CAM algorithm integrates plug-in noise filtering using sector-based clustering, an efficient geometric convex analysis scheme, and stability-based model order selection. We demonstrate the principle of CAM on simulated data and numerically mixed natural images. The superior performance of CAM against a panel of benchmark BSS techniques is demonstrated on numerically mixed gene expression data. We then apply CAM to dissect dynamic contrast-enhanced magnetic resonance imaging data taken from breast tumors and time-course microarray gene expression data derived from in-vivo muscle regeneration in mice, both producing biologically plausible decomposition results.

A large number of statistical models are "doubly-intractable": the likelihood normalising term, which is a function of the model parameters, is intractable, as well as the marginal likelihood (model evidence). This means that standard inference techniques to sample from the posterior, such as Markov chain Monte Carlo (MCMC), cannot be used. Examples include, but are not confined to, massive Gaussian Markov random fields, autologistic models and Exponential random graph models. A number of approximate schemes based on MCMC techniques, Approximate Bayesian computation (ABC) or analytic approximations to the posterior have been suggested, and these are reviewed here. Exact MCMC schemes, which can be applied to a subset of doubly-intractable distributions, have also been developed and are described in this paper. As yet, no general method exists which can be applied to all classes of models with doubly-intractable posteriors. In addition, taking inspiration from the Physics literature, we study an alternative method based on representing the intractable likelihood as an infinite series. Unbiased estimates of the likelihood can then be obtained by finite time stochastic truncation of the series via Russian Roulette sampling, although the estimates are not necessarily positive. Results from the Quantum Chromodynamics literature are exploited to allow the use of possibly negative estimates in a pseudo-marginal MCMC scheme such that expectations with respect to the posterior distribution are preserved. The methodology is reviewed on well-known examples such as the parameters in Ising models, the posterior for Fisher-Bingham distributions on the $d$-Sphere and a large-scale Gaussian Markov Random Field model describing the Ozone Column data. This leads to a critical assessment of the strengths and weaknesses of the methodology with pointers to ongoing research.

Heuristic optimisers which search for an optimal configuration of variables relative to an objective function often get stuck in local optima where the algorithm is unable to find further improvement. The standard approach to circumvent this problem involves periodically restarting the algorithm from random initial configurations when no further improvement can be found. We propose a method of partial reinitialization, whereby, in an attempt to find a better solution, only sub-sets of variables are re-initialised rather than the whole configuration. Much of the information gained from previous runs is hence retained. This leads to significant improvements in the quality of the solution found in a given time for a variety of optimisation problems in machine learning.

Many model selection algorithms produce a path of fits specifying a sequence of increasingly complex models. Given such a sequence and the data used to produce them, we consider the problem of choosing the least complex model that is not falsified by the data. Extending the selected-model tests of Fithian et al. (2014), we construct p-values for each step in the path which account for the adaptive selection of the model path using the data. In the case of linear regression, we propose two specific tests, the max-t test for forward stepwise regression (generalizing a proposal of Buja and Brown (2014)), and the next-entry test for the lasso. These tests improve on the power of the saturated-model test of Tibshirani et al. (2014), sometimes dramatically. In addition, our framework extends beyond linear regression to a much more general class of parametric and nonparametric model selection problems. To select a model, we can feed our single-step p-values as inputs into sequential stopping rules such as those proposed by G'Sell et al. (2013) and Li and Barber (2015), achieving control of the familywise error rate or false discovery rate (FDR) as desired. The FDR-controlling rules require the null p-values to be independent of each other and of the non-null p-values, a condition not satisfied by the saturated-model p-values of Tibshirani et al. (2014). We derive intuitive and general sufficient conditions for independence, and show that our proposed constructions yield independent p-values.

We investigate a class of feature allocation models that generalize the Indian buffet process and are parameterized by Gibbs-type random measures. Two existing classes are contained as special cases: the original two-parameter Indian buffet process, corresponding to the Dirichlet process, and the stable (or three-parameter) Indian buffet process, corresponding to the Pitman-Yor process. Asymptotic behavior of the Gibbs-type partitions, such as power laws holding for the number of latent clusters, translates into analogous characteristics for this class of Gibbs-type feature allocation models. Despite containing several different distinct subclasses, the properties of Gibbs-type partitions allow us to develop a black-box procedure for posterior inference within any subclass of models. Through numerical experiments, we compare and contrast a few of these subclasses and highlight the utility of varying power-law behaviors in the latent features.

We consider the task of classification in the high dimensional setting where the number of features of the given data is significantly greater than the number of observations. To accomplish this task, we propose a heuristic, called sparse zero-variance discriminant analysis (SZVD), for simultaneously performing linear discriminant analysis and feature selection on high dimensional data. This method combines classical zero-variance discriminant analysis, where discriminant vectors are identified in the null space of the sample within-class covariance matrix, with penalization applied to induce sparse structures in the resulting vectors. To approximately solve the resulting nonconvex problem, we develop a simple algorithm based on the alternating direction method of multipliers. Further, we show that this algorithm is applicable to a larger class of penalized generalized eigenvalue problems, including a particular relaxation of the sparse principal component analysis problem. Finally, we establish theoretical guarantees for convergence of our algorithm to stationary points of the original nonconvex problem, and empirically demonstrate the effectiveness of our heuristic for classifying simulated data and data drawn from applications in time-series classification.

Nonlinear methods such as Deep Neural Networks (DNNs) are the gold standard for various challenging machine learning problems, e.g., image classification, natural language processing or human action recognition. Although these methods perform impressively well, they have a significant disadvantage, the lack of transparency, limiting the interpretability of the solution and thus the scope of application in practice. Especially DNNs act as black boxes due to their multilayer nonlinear structure. In this paper we introduce a novel methodology for interpreting generic multilayer neural networks by decomposing the network classification decision into contributions of its input elements. Although our focus is on image classification, the method is applicable to a broad set of input data, learning tasks and network architectures. Our method is based on deep Taylor decomposition and efficiently utilizes the structure of the network by backpropagating the explanations from the output to the input layer. We evaluate the proposed method empirically on the MNIST and ILSVRC data sets.

We present a discriminative nonparametric latent feature relational model (LFRM) for link prediction to automatically infer the dimensionality of latent features. Under the generic RegBayes (regularized Bayesian inference) framework, we handily incorporate the prediction loss with probabilistic inference of a Bayesian model; set distinct regularization parameters for different types of links to handle the imbalance issue in real networks; and unify the analysis of both the smooth logistic log-loss and the piecewise linear hinge loss. For the nonconjugate posterior inference, we present a simple Gibbs sampler via data augmentation, without making restricting assumptions as done in variational methods. We further develop an approximate sampler using stochastic gradient Langevin dynamics to handle large networks with hundreds of thousands of entities and millions of links, orders of magnitude larger than what existing LFRM models can process. Extensive studies on various real networks show promising performance.