Pairwise clustering methods partition the data space into clusters by the pairwise similarity between data points. The success of pairwise clustering largely depends on the pairwise similarity function defined over the data points, where kernel similarity is broadly used. In this paper, we present a novel pairwise clustering framework by bridging the gap between clustering and multi-class classification. This pairwise clustering framework learns an unsupervised nonparametric classifier from each data partition, and search for the optimal partition of the data by minimizing the generalization error of the learned classifiers associated with the data partitions. We consider two nonparametric classifiers in this framework, i.e. the nearest neighbor classifier and the plug-in classifier. Modeling the underlying data distribution by nonparametric kernel density estimation, the generalization error bounds for both unsupervised nonparametric classifiers are the sum of nonparametric pairwise similarity terms between the data points for the purpose of clustering. Under uniform distribution, the nonparametric similarity terms induced by both unsupervised classifiers exhibit a well known form of kernel similarity. We also prove that the generalization error bound for the unsupervised plug-in classifier is asymptotically equal to the weighted volume of cluster boundary for Low Density Separation, a widely used criteria for semi-supervised learning and clustering. Based on the derived nonparametric pairwise similarity using the plug-in classifier, we propose a new nonparametric exemplar-based clustering method with enhanced discriminative capability, whose superiority is evidenced by the experimental results.

We propose a novel online learning method for minimizing regret in large extensive-form games. The approach learns a function approximator online to estimate the regret for choosing a particular action. A no-regret algorithm uses these estimates in place of the true regrets to define a sequence of policies. We prove the approach sound by providing a bound relating the quality of the function approximation and regret of the algorithm. A corollary being that the method is guaranteed to converge to a Nash equilibrium in self-play so long as the regrets are ultimately realizable by the function approximator. Our technique can be understood as a principled generalization of existing work on abstraction in large games; in our work, both the abstraction as well as the equilibrium are learned during self-play. We demonstrate empirically the method achieves higher quality strategies than state-of-the-art abstraction techniques given the same resources.

We analyze the performance of spectral clustering for community extraction in stochastic block models. We show that, under mild conditions, spectral clustering applied to the adjacency matrix of the network can consistently recover hidden communities even when the order of the maximum expected degree is as small as $\log n$, with $n$ the number of nodes. This result applies to some popular polynomial time spectral clustering algorithms and is further extended to degree corrected stochastic block models using a spherical $k$-median spectral clustering method. A key component of our analysis is a combinatorial bound on the spectrum of binary random matrices, which is sharper than the conventional matrix Bernstein inequality and may be of independent interest.

Statistical machine learning methods are increasingly used for neuroimaging data analysis. Their main virtue is their ability to model high-dimensional datasets, e.g. multivariate analysis of activation images or resting-state time series. Supervised learning is typically used in decoding or encoding settings to relate brain images to behavioral or clinical observations, while unsupervised learning can uncover hidden structures in sets of images (e.g. resting state functional MRI) or find sub-populations in large cohorts. By considering different functional neuroimaging applications, we illustrate how scikit-learn, a Python machine learning library, can be used to perform some key analysis steps. Scikit-learn contains a very large set of statistical learning algorithms, both supervised and unsupervised, and its application to neuroimaging data provides a versatile tool to study the brain.

When solving data analysis problems it is important to integrate prior knowledge and/or structural invariances. This paper contributes by a novel framework for incorporating algebraic invariance structure into kernels. In particular, we show that algebraic properties such as sign symmetries in data, phase independence, scaling etc. can be included easily by essentially performing the kernel trick twice. We demonstrate the usefulness of our theory in simulations on selected applications such as sign-invariant spectral clustering and underdetermined ICA.

Identifying important components or factors in large amounts of noisy data is a key problem in machine learning and data mining. Motivated by a pattern decomposition problem in materials discovery, aimed at discovering new materials for renewable energy, e.g. for fuel and solar cells, we introduce CombiFD, a framework for factor based pattern decomposition that allows the incorporation of a-priori knowledge as constraints, including complex combinatorial constraints. In addition, we propose a new pattern decomposition algorithm, called AMIQO, based on solving a sequence of (mixed-integer) quadratic programs. Our approach considerably outperforms the state of the art on the materials discovery problem, scaling to larger datasets and recovering more precise and physically meaningful decompositions. We also show the effectiveness of our approach for enforcing background knowledge on other application domains.

Algorithms based on spectral graph cut objectives such as normalized cuts, ratio cuts and ratio association have become popular in recent years because they are widely applicable and simple to implement via standard eigenvector computations. Despite strong performance for a number of clustering tasks, spectral graph cut algorithms still suffer from several limitations: first, they require the number of clusters to be known in advance, but this information is often unknown a priori; second, they tend to produce clusters with uniform sizes. In some cases, the true clusters exhibit a known size distribution; in image segmentation, for instance, human-segmented images tend to yield segment sizes that follow a power-law distribution. In this paper, we propose a general framework of power-law graph cut algorithms that produce clusters whose sizes are power-law distributed, and also does not fix the number of clusters upfront. To achieve our goals, we treat the Pitman-Yor exchangeable partition probability function (EPPF) as a regularizer to graph cut objectives. Because the resulting objectives cannot be solved by relaxing via eigenvectors, we derive a simple iterative algorithm to locally optimize the objectives. Moreover, we show that our proposed algorithm can be viewed as performing MAP inference on a particular Pitman-Yor mixture model. Our experiments on various data sets show the effectiveness of our algorithms.

This paper establishes the consistency of a family of graph-cut-based algorithms for clustering of data clouds. We consider point clouds obtained as samples of a ground-truth measure. We investigate approaches to clustering based on minimizing objective functionals defined on proximity graphs of the given sample. Our focus is on functionals based on graph cuts like the Cheeger and ratio cuts. We show that minimizers of the these cuts converge as the sample size increases to a minimizer of a corresponding continuum cut (which partitions the ground truth measure). Moreover, we obtain sharp conditions on how the connectivity radius can be scaled with respect to the number of sample points for the consistency to hold. We provide results for two-way and for multiway cuts. Furthermore we provide numerical experiments that illustrate the results and explore the optimality of scaling in dimension two.

In this thesis, we propose several modelling strategies to tackle evolving data in different contexts. In the framework of static clustering, we start by introducing a soft kernel spectral clustering (SKSC) algorithm, which can better deal with overlapping clusters with respect to kernel spectral clustering (KSC) and provides more interpretable outcomes. Afterwards, a whole strategy based upon KSC for community detection of static networks is proposed, where the extraction of a high quality training sub-graph, the choice of the kernel function, the model selection and the applicability to large-scale data are key aspects. This paves the way for the development of a novel clustering algorithm for the analysis of evolving networks called kernel spectral clustering with memory effect (MKSC), where the temporal smoothness between clustering results in successive time steps is incorporated at the level of the primal optimization problem, by properly modifying the KSC formulation. Later on, an application of KSC to fault detection of an industrial machine is presented. Here, a smart pre-processing of the data by means of a proper windowing operation is necessary to catch the ongoing degradation process affecting the machine. In this way, in a genuinely unsupervised manner, it is possible to raise an early warning when necessary, in an online fashion. Finally, we propose a new algorithm called incremental kernel spectral clustering (IKSC) for online learning of non-stationary data. This ambitious challenge is faced by taking advantage of the out-of-sample property of kernel spectral clustering (KSC) to adapt the initial model, in order to tackle merging, splitting or drifting of clusters across time. Real-world applications considered in this thesis include image segmentation, time-series clustering, community detection of static and evolving networks.

Online advertising is an important and huge industry. Having knowledge of the website attributes can contribute greatly to business strategies for ad-targeting, content display, inventory purchase or revenue prediction. Classical inferences on users and sites impose challenge, because the data is voluminous, sparse, high-dimensional and noisy. In this paper, we introduce a stochastic blockmodeling for the website relations induced by the event of online user visitation. We propose two clustering algorithms to discover the instrinsic structures of websites, and compare the performance with a goodness-of-fit method and a deterministic graph partitioning method. We demonstrate the effectiveness of our algorithms on both simulation and AOL website dataset.