The use of covariance kernels is ubiquitous in the field of spatial statistics. Kernels allow data to be mapped into high-dimensional feature spaces and can thus extend simple linear additive methods to nonlinear methods with higher order interactions. However, until recently, there has been a strong reliance on a limited class of stationary kernels such as the Matern or squared exponential, limiting the expressiveness of these modelling approaches. Recent machine learning research has focused on spectral representations to model arbitrary stationary kernels and introduced more general representations that include classes of nonstationary kernels. In this paper, we exploit the connections between Fourier feature representations, Gaussian processes and neural networks to generalise previous approaches and develop a simple and efficient framework to learn arbitrarily complex nonstationary kernel functions directly from the data, while taking care to avoid overfitting using state-of-the-art methods from deep learning. We highlight the very broad array of kernel classes that could be created within this framework. We apply this to a time series dataset and a remote sensing problem involving land surface temperature in Eastern Africa. We show that without increasing the computational or storage complexity, nonstationary kernels can be used to improve generalisation performance and provide more interpretable results.

Many modern unsupervised or semi-supervised machine learning algorithms rely on Bayesian probabilistic models. These models are usually intractable and thus require approximate inference. Variational inference (VI) lets us approximate a high-dimensional Bayesian posterior with a simpler variational distribution by solving an optimization problem. This approach has been successfully used in various models and large-scale applications. In this review, we give an overview of recent trends in variational inference. We first introduce standard mean field variational inference, then review recent advances focusing on the following aspects: (a) scalable VI, which includes stochastic approximations, (b) generic VI, which extends the applicability of VI to a large class of otherwise intractable models, such as non-conjugate models, (c) accurate VI, which includes variational models beyond the mean field approximation or with atypical divergences, and (d) amortized VI, which implements the inference over local latent variables with inference networks. Finally, we provide a summary of promising future research directions.

We present the Variational Adaptive Newton (VAN) method which is a black-box optimization method especially suitable for explorative-learning tasks such as active learning and reinforcement learning. Similar to Bayesian methods, VAN estimates a distribution that can be used for exploration, but requires computations that are similar to continuous optimization methods. Our theoretical contribution reveals that VAN is a second-order method that unifies existing methods in distinct fields of continuous optimization, variational inference, and evolution strategies. Our experimental results show that VAN performs well on a wide-variety of learning tasks. This work presents a general-purpose explorative-learning method that has the potential to improve learning in areas such as active learning and reinforcement learning.

For many applications, an ensemble of base classifiers is an effective solution. The tuning of its parameters (number of classifiers, amount of data on which each classifier is to be trained on, etc.) requires G, the generalization error of a given ensemble. The efficient estimation of G is the focus of this paper. The key idea is to approximate the variance of the class scores/probabilities of the base classifiers over the randomness imposed by the training subset by normal/beta distribution at each point x in the input feature space. We estimate the parameters of the distribution using a small set of randomly chosen base classifiers and use those parameters to give efficient estimation schemes for G. We give empirical evidence for the quality of the various estimators. We also demonstrate their usefulness in making design choices such as the number of classifiers in the ensemble and the size of subset of data used for training that are needed to achieve a certain value of generalization error. Our approach also has great potential for designing distributed ensemble classifiers. 1 Introduction Ensembles of classifiers randomly picked from a collection of base classifiers are well-known to improve over the individual base classifiers.

We propose a new class of universal kernel functions which admit a linear parametrization using positive semidefinite matrices. These kernels are generalizations of the Sobolev kernel and are defined by piecewise-polynomial functions. The class of kernels is termed "tessellated" as the resulting discriminant is defined piecewise with hyper-rectangular domains whose corners are determined by the training data. The kernels have scalable complexity, but each instance is universal in the sense that its hypothesis space is dense in $L_2$. Using numerical testing, we show that for the soft margin SVM, this class can eliminate the need for Gaussian kernels. Furthermore, we demonstrate that when the ratio of the number of training data to features is high, this method will significantly outperform other kernel learning algorithms. Finally, to reduce the complexity associated with SDP-based kernel learning methods, we use a randomized basis for the positive matrices to integrate with existing multiple kernel learning algorithms such as SimpleMKL.

We develop an approximate formula for evaluating a cross-validation estimator of predictive likelihood for multinomial logistic regression regularized by an $\ell_1$-norm. This allows us to avoid repeated optimizations required for literally conducting cross-validation; hence, the computational time can be significantly reduced. The formula is derived through a perturbative approach employing the largeness of the data size and the model dimensionality. Its usefulness is demonstrated on simulated data and the ISOLET dataset from the UCI machine learning repository.

Gaussian mixture models (GMM) are powerful parametric tools with many applications in machine learning and computer vision. Expectation maximization (EM) is the most popular algorithm for estimating the GMM parameters. However, EM guarantees only convergence to a stationary point of the log-likelihood function, which could be arbitrarily worse than the optimal solution. Inspired by the relationship between the negative log-likelihood function and the Kullback-Leibler (KL) divergence, we propose an alternative formulation for estimating the GMM parameters using the sliced Wasserstein distance, which gives rise to a new algorithm. Specifically, we propose minimizing the sliced-Wasserstein distance between the mixture model and the data distribution with respect to the GMM parameters. In contrast to the KL-divergence, the energy landscape for the sliced-Wasserstein distance is more well-behaved and therefore more suitable for a stochastic gradient descent scheme to obtain the optimal GMM parameters. We show that our formulation results in parameter estimates that are more robust to random initializations and demonstrate that it can estimate high-dimensional data distributions more faithfully than the EM algorithm.

This paper presents a robust matrix elastic net based canonical correlation analysis (RMEN-CCA) for multiple view unsupervised learning problems, which emphasizes the combination of CCA and the robust matrix elastic net (RMEN) used as coupled feature selection. The RMEN-CCA leverages the strength of the RMEN to distill naturally meaningful features without any prior assumption and to measure effectively correlations between different 'views'. We can further employ directly the kernel trick to extend the RMEN-CCA to the kernel scenario with theoretical guarantees, which takes advantage of the kernel trick for highly complicated nonlinear feature learning. Rather than simply incorporating existing regularization minimization terms into CCA, this paper provides a new learning paradigm for CCA and is the first to derive a coupled feature selection based CCA algorithm that guarantees convergence. More significantly, for CCA, the newly-derived RMEN-CCA bridges the gap between measurement of relevance and coupled feature selection. Moreover, it is nontrivial to tackle directly the RMEN-CCA by previous optimization approaches derived from its sophisticated model architecture. Therefore, this paper further offers a bridge between a new optimization problem and an existing efficient iterative approach. As a consequence, the RMEN-CCA can overcome the limitation of CCA and address large-scale and streaming data problems. Experimental results on four popular competing datasets illustrate that the RMEN-CCA performs more effectively and efficiently than do state-of-the-art approaches.

In regression analysis of multivariate data, it is tacitly assumed that response and predictor variables in each observed response-predictor pair correspond to the same entity or unit. In this paper, we consider the situation of "permuted data" in which this basic correspondence has been lost. Several recent papers have considered this situation without further assumptions on the underlying permutation. In applications, the latter is often to known to have additional structure that can be leveraged. Specifically, we herein consider the common scenario of "sparsely permuted data" in which only a small fraction of the data is affected by a mismatch between response and predictors. However, an adverse effect already observed for sparsely permuted data is that the least squares estimator as well as other estimators not accounting for such partial mismatch are inconsistent. One approach studied in detail herein is to treat permuted data as outliers which motivates the use of robust regression formulations to estimate the regression parameter. The resulting estimate can subsequently be used to recover the permutation. A notable benefit of the proposed approach is its computational simplicity given the general lack of procedures for the above problem that are both statistically sound and computationally appealing.

The eigendeomposition of nearest-neighbor (NN) graph Laplacian matrices is the main computational bottleneck in spectral clustering. In this work, we introduce a highly-scalable, spectrumpreserving graph sparsification algorithm that enables to build ultra-sparse NN (u-NN) graphs with guaranteed preservation of the original graph spectrums, such as the first few eigenvectors of the original graph Laplacian. Our approach can immediately lead to scalable spectral clustering of large data networks without sacrificing solution quality. The proposed method starts from constructing low-stretch spanning trees (LSSTs) from the original graphs, which is followed by iteratively recovering small portions of "spectrally critical" off-tree edges to the LSSTs by leveraging a spectral off-tree embedding scheme. To determine the suitable amount of off-tree edges to be recovered to the LSSTs, an eigenvalue stability checking scheme is proposed, which enables to robustly preserve the first few Laplacian eigenvectors within the sparsified graph. Additionally, an incremental graph densification scheme is proposed for identifying extra edges that have been missing in the original NN graphs but can still play important roles in spectral clustering tasks. Our experimental results for a variety of well-known data sets show that the proposed method can dramatically reduce the complexity of NN graphs, leading to significant speedups in spectral clustering. Keywords: spectral graph sparsification; spectral clustering 1 Introduction Data clustering and graph partitioning are playing increasingly important roles in many compute-intensive applications related to scientific computing, data mining, machine learning, image processing, etc. Among the existing data clustering and graph partitioning methods, spectral methods have gained great attention in recent years [1-4], which typically involve solving eigenvalue decomposition problems associated with graph Laplacians.