Optimal Clustering under Uncertainty

Classical clustering algorithms typically either lack an underlying probability framework to make them predictive or focus on parameter estimation rather than defining and minimizing a notion of error. Recent work addresses these issues by developing a probabilistic framework based on the theory of random labeled point processes and characterizing a Bayes clusterer that minimizes the number of misclustered points. The Bayes clusterer is analogous to the Bayes classifier. Whereas determining a Bayes classifier requires full knowledge of the feature-label distribution, deriving a Bayes clusterer requires full knowledge of the point process. When uncertain of the point process, one would like to find a robust clusterer that is optimal over the uncertainty, just as one may find optimal robust classifiers with uncertain feature-label distributions. Herein, we derive an optimal robust clusterer by first finding an effective random point process that incorporates all randomness within its own probabilistic structure and from which a Bayes clusterer can be derived that provides an optimal robust clusterer relative to the uncertainty. This is analogous to the use of effective class-conditional distributions in robust classification. After evaluating the performance of robust clusterers in synthetic mixtures of Gaussians models, we apply the framework to granular imaging, where we make use of the asymptotic granulometric moment theory for granular images to relate robust clustering theory to the application.Comment: 19 pages, 5 eps figures, 1 tabl

Nonparametric Feature Extraction from Dendrograms

We propose feature extraction from dendrograms in a nonparametric way. The Minimax distance measures correspond to building a dendrogram with single linkage criterion, with defining specific forms of a level function and a distance function over that. Therefore, we extend this method to arbitrary dendrograms. We develop a generalized framework wherein different distance measures can be inferred from different types of dendrograms, level functions and distance functions. Via an appropriate embedding, we compute a vector-based representation of the inferred distances, in order to enable many numerical machine learning algorithms to employ such distances. Then, to address the model selection problem, we study the aggregation of different dendrogram-based distances respectively in solution space and in representation space in the spirit of deep representations. In the first approach, for example for the clustering problem, we build a graph with positive and negative edge weights according to the consistency of the clustering labels of different objects among different solutions, in the context of ensemble methods. Then, we use an efficient variant of correlation clustering to produce the final clusters. In the second approach, we investigate the sequential combination of different distances and features sequentially in the spirit of multi-layered architectures to obtain the final features. Finally, we demonstrate the effectiveness of our approach via several numerical studies

Unsupervised Representation Learning with Minimax Distance Measures

We investigate the use of Minimax distances to extract in a nonparametric way the features that capture the unknown underlying patterns and structures in the data. We develop a general-purpose and computationally efficient framework to employ Minimax distances with many machine learning methods that perform on numerical data. We study both computing the pairwise Minimax distances for all pairs of objects and as well as computing the Minimax distances of all the objects to/from a fixed (test) object. We first efficiently compute the pairwise Minimax distances between the objects, using the equivalence of Minimax distances over a graph and over a minimum spanning tree constructed on that. Then, we perform an embedding of the pairwise Minimax distances into a new vector space, such that their squared Euclidean distances in the new space equal to the pairwise Minimax distances in the original space. We also study the case of having multiple pairwise Minimax matrices, instead of a single one. Thereby, we propose an embedding via first summing up the centered matrices and then performing an eigenvalue decomposition to obtain the relevant features. In the following, we study computing Minimax distances from a fixed (test) object which can be used for instance in K-nearest neighbor search. Similar to the case of all-pair pairwise Minimax distances, we develop an efficient and general-purpose algorithm that is applicable with any arbitrary base distance measure. Moreover, we investigate in detail the edges selected by the Minimax distances and thereby explore the ability of Minimax distances in detecting outlier objects. Finally, for each setting, we perform several experiments to demonstrate the effectiveness of our framework.Comment: 32 page

Efficient Sparse Clustering of High-Dimensional Non-spherical Gaussian Mixtures

We consider the problem of clustering data points in high dimensions, i.e. when the number of data points may be much smaller than the number of dimensions. Specifically, we consider a Gaussian mixture model (GMM) with non-spherical Gaussian components, where the clusters are distinguished by only a few relevant dimensions. The method we propose is a combination of a recent approach for learning parameters of a Gaussian mixture model and sparse linear discriminant analysis (LDA). In addition to cluster assignments, the method returns an estimate of the set of features relevant for clustering. Our results indicate that the sample complexity of clustering depends on the sparsity of the relevant feature set, while only scaling logarithmically with the ambient dimension. Additionally, we require much milder assumptions than existing work on clustering in high dimensions. In particular, we do not require spherical clusters nor necessitate mean separation along relevant dimensions.Comment: 11 pages, 1 figur

Minimax Theory for High-dimensional Gaussian Mixtures with Sparse Mean Separation

While several papers have investigated computationally and statistically efficient methods for learning Gaussian mixtures, precise minimax bounds for their statistical performance as well as fundamental limits in high-dimensional settings are not well-understood. In this paper, we provide precise information theoretic bounds on the clustering accuracy and sample complexity of learning a mixture of two isotropic Gaussians in high dimensions under small mean separation. If there is a sparse subset of relevant dimensions that determine the mean separation, then the sample complexity only depends on the number of relevant dimensions and mean separation, and can be achieved by a simple computationally efficient procedure. Our results provide the first step of a theoretical basis for recent methods that combine feature selection and clustering

Block-diagonal covariance selection for high-dimensional Gaussian graphical models

Gaussian graphical models are widely utilized to infer and visualize networks of dependencies between continuous variables. However, inferring the graph is difficult when the sample size is small compared to the number of variables. To reduce the number of parameters to estimate in the model, we propose a non-asymptotic model selection procedure supported by strong theoretical guarantees based on an oracle inequality and a minimax lower bound. The covariance matrix of the model is approximated by a block-diagonal matrix. The structure of this matrix is detected by thresholding the sample covariance matrix, where the threshold is selected using the slope heuristic. Based on the block-diagonal structure of the covariance matrix, the estimation problem is divided into several independent problems: subsequently, the network of dependencies between variables is inferred using the graphical lasso algorithm in each block. The performance of the procedure is illustrated on simulated data. An application to a real gene expression dataset with a limited sample size is also presented: the dimension reduction allows attention to be objectively focused on interactions among smaller subsets of genes, leading to a more parsimonious and interpretable modular network.Comment: Accepted in JAS

Detection and Feature Selection in Sparse Mixture Models

We consider Gaussian mixture models in high dimensions and concentrate on the twin tasks of detection and feature selection. Under sparsity assumptions on the difference in means, we derive information bounds and establish the performance of various procedures, including the top sparse eigenvalue of the sample covariance matrix and other projection tests based on moments, such as the skewness and kurtosis tests of Malkovich and Afifi (1973), and other variants which we were better able to control under the null.Comment: 70 page