We reduce a broad class of machine learning problems, usually addressed by EM or sampling, to the problem of finding the $k$ extremal rays spanning the conical hull of a data point set. These $k$ "anchors" lead to a global solution and a more interpretable model that can even outperform EM and sampling on generalization error. To find the $k$ anchors, we propose a novel divide-and-conquer learning scheme "DCA" that distributes the problem to $\mathcal O(k\log k)$ same-type sub-problems on different low-D random hyperplanes, each can be solved by any solver. For the 2D sub-problem, we present a non-iterative solver that only needs to compute an array of cosine values and its max/min entries. DCA also provides a faster subroutine for other methods to check whether a point is covered in a conical hull, which improves algorithm design in multiple dimensions and brings significant speedup to learning. We apply our method to GMM, HMM, LDA, NMF and subspace clustering, then show its competitive performance and scalability over other methods on rich datasets.

Finding the optimal $k$-means clustering is NP-hard in general and many heuristics have been designed for minimizing monotonically the $k$-means objective. We first show how to extend Lloyd's batched relocation heuristic and Hartigan's single-point relocation heuristic to take into account empty-cluster and single-point cluster events, respectively. Those events tend to increasingly occur when $k$ or $d$ increases, or when performing several restarts. First, we show that those special events are a blessing because they allow to partially re-seed some cluster centers while further minimizing the $k$-means objective function. Second, we describe a novel heuristic, merge-and-split $k$-means, that consists in merging two clusters and splitting this merged cluster again with two new centers provided it improves the $k$-means objective. This novel heuristic can improve Hartigan's $k$-means when it has converged to a local minimum. We show empirically that this merge-and-split $k$-means improves over the Hartigan's heuristic which is the {\em de facto} method of choice. Finally, we propose the $(k,l)$-means objective that generalizes the $k$-means objective by associating the data points to their $l$ closest cluster centers, and show how to either directly convert or iteratively relax the $(k,l)$-means into a $k$-means in order to reach better local minima.

We present new algorithms to compute the mean of a set of empirical probability measures under the optimal transport metric. This mean, known as the Wasserstein barycenter, is the measure that minimizes the sum of its Wasserstein distances to each element in that set. We propose two original algorithms to compute Wasserstein barycenters that build upon the subgradient method. A direct implementation of these algorithms is, however, too costly because it would require the repeated resolution of large primal and dual optimal transport problems to compute subgradients. Extending the work of Cuturi (2013), we propose to smooth the Wasserstein distance used in the definition of Wasserstein barycenters with an entropic regularizer and recover in doing so a strictly convex objective whose gradients can be computed for a considerably cheaper computational cost using matrix scaling algorithms. We use these algorithms to visualize a large family of images and to solve a constrained clustering problem.

In this work we propose a simple and easily parallelizable algorithm for multiway graph partitioning. The algorithm alternates between three basic components: diffusing seed vertices over the graph, thresholding the diffused seeds, and then randomly reseeding the thresholded clusters. We demonstrate experimentally that the proper combination of these ingredients leads to an algorithm that achieves state-of-the-art performance in terms of cluster purity on standard benchmarks datasets. Moreover, the algorithm runs an order of magnitude faster than the other algorithms that achieve comparable results in terms of accuracy. We also describe a coarsen, cluster and refine approach similar to GRACLUS and METIS that removes an additional order of magnitude from the runtime of our algorithm while still maintaining competitive accuracy.

In addition to finding meaningful clusters, centroid-based clustering algorithms such as K-means or mean-shift should ideally find centroids that are valid patterns in the input space, representative of data in their cluster. This is challenging with data having a nonconvex or manifold structure, as with images or text. We introduce a new algorithm, Laplacian K-modes, which naturally combines three powerful ideas in clustering: the explicit use of assignment variables (as in K-means); the estimation of cluster centroids which are modes of each cluster's density estimate (as in mean-shift); and the regularizing effect of the graph Laplacian, which encourages similar assignments for nearby points (as in spectral clustering). The optimization algorithm alternates an assignment step, which is a convex quadratic program, and a mean-shift step, which separates for each cluster centroid. The algorithm finds meaningful density estimates for each cluster, even with challenging problems where the clusters have manifold structure, are highly nonconvex or in high dimension. It also provides centroids that are valid patterns, truly representative of their cluster (unlike K-means), and an out-of-sample mapping that predicts soft assignments for a new point.

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.

We present a nonparametric method for selecting informative features in high-dimensional clustering problems. We start with a screening step that uses a test for multimodality. Then we apply kernel density estimation and mode clustering to the selected features. The output of the method consists of a list of relevant features, and cluster assignments. We provide explicit bounds on the error rate of the resulting clustering. In addition, we provide the first error bounds on mode based clustering.

We introduce a novel algorithmic approach to content recommendation based on adaptive clustering of exploration-exploitation ("bandit") strategies. We provide a sharp regret analysis of this algorithm in a standard stochastic noise setting, demonstrate its scalability properties, and prove its effectiveness on a number of artificial and real-world datasets. Our experiments show a significant increase in prediction performance over state-of-the-art methods for bandit problems.

For a density $f$ on ${\mathbb R}^d$, a {\it high-density cluster} is any connected component of $\{x: f(x) \geq \lambda\}$, for some $\lambda > 0$. The set of all high-density clusters forms a hierarchy called the {\it cluster tree} of $f$. We present two procedures for estimating the cluster tree given samples from $f$. The first is a robust variant of the single linkage algorithm for hierarchical clustering. The second is based on the $k$-nearest neighbor graph of the samples. We give finite-sample convergence rates for these algorithms which also imply consistency, and we derive lower bounds on the sample complexity of cluster tree estimation. Finally, we study a tree pruning procedure that guarantees, under milder conditions than usual, to remove clusters that are spurious while recovering those that are salient.

Given a graph where vertices represent alternatives and arcs represent pairwise comparison data, the statistical ranking problem is to find a potential function, defined on the vertices, such that the gradient of the potential function agrees with the pairwise comparisons. Our goal in this paper is to develop a method for collecting data for which the least squares estimator for the ranking problem has maximal Fisher information. Our approach, based on experimental design, is to view data collection as a bi-level optimization problem where the inner problem is the ranking problem and the outer problem is to identify data which maximizes the informativeness of the ranking. Under certain assumptions, the data collection problem decouples, reducing to a problem of finding multigraphs with large algebraic connectivity. This reduction of the data collection problem to graph-theoretic questions is one of the primary contributions of this work. As an application, we study the Yahoo! Movie user rating dataset and demonstrate that the addition of a small number of well-chosen pairwise comparisons can significantly increase the Fisher informativeness of the ranking. As another application, we study the 2011-12 NCAA football schedule and propose schedules with the same number of games which are significantly more informative. Using spectral clustering methods to identify highly-connected communities within the division, we argue that the NCAA could improve its notoriously poor rankings by simply scheduling more out-of-conference games.