Graph clustering methods such as spectral clustering are defined for general weighted graphs. In machine learning, however, data often is not given in form of a graph, but in terms of similarity (or distance) values between points. In this case, first a neighborhood graph is constructed using the similarities between the points and then a graph clustering algorithm is applied to this graph. In this paper we investigate the influence of the construction of the similarity graph on the clustering results. We first study the convergence of graph clustering criteria such as the normalized cut (Ncut) as the sample size tends to infinity. We find that the limit expressions are different for different types of graph, for example the r-neighborhood graph or the k-nearest neighbor graph. In plain words: Ncut on a kNN graph does something systematically different than Ncut on an r-neighborhood graph! This finding shows that graph clustering criteria cannot be studied independently of the kind of graph they are applied to. We also provide examples which show that these differences can be observed for toy and real data already for rather small sample sizes.

Aiming towards the development of a general clustering theory, we discuss abstract axiomatization for clustering. In this respect, we follow up on the work of Kelinberg, (Kleinberg) that showed an impossibility result for such axiomatization. We argue that an impossibility result is not an inherent feature of clustering, but rather, to a large extent, it is an artifact of the specific formalism used in Kleinberg. As opposed to previous work focusing on clustering functions, we propose to address clustering quality measures as the primitive object to be axiomatized. We show that principles like those formulated in Kleinberg's axioms can be readily expressed in the latter framework without leading to inconsistency. A clustering-quality measure is a function that, given a data set and its partition into clusters, returns a non-negative real number representing how `strong' or `conclusive' the clustering is. We analyze what clustering-quality measures should look like and introduce a set of requirements (`axioms') that express these requirement and extend the translation of Kleinberg's axioms to our framework. We propose several natural clustering quality measures, all satisfying the proposed axioms. In addition, we show that the proposed clustering quality can be computed in polynomial time.

We provide a clustering algorithm that approximately optimizes the k-means objective, in the one-pass streaming setting. We make no assumptions about the data, and our algorithm is very light-weight in terms of memory, and computation. This setting is applicable to unsupervised learning on massive data sets, or resource-constrained devices. The two main ingredients of our theoretical work are: a derivation of an extremely simple pseudo-approximation batch algorithm for k-means, in which the algorithm is allowed to output more than k centers (based on the recent k-means++"), and a streaming clustering algorithm in which batch clustering algorithms are performed on small inputs (fitting in memory) and combined in a hierarchical manner. Empirical evaluations on real and simulated data reveal the practical utility of our method."

A novel center-based clustering algorithm is proposed in this paper. We first formulate clustering as an NP-hard linear integer program and we then use linear programming and the duality theory to derive the solution of this optimization problem. This leads to an efficient and very general algorithm, which works in the dual domain, and can cluster data based on an arbitrary set of distances. Despite its generality, it is independent of initialization (unlike EM-like methods such as K-means), has guaranteed convergence, and can also provide online optimality bounds about the quality of the estimated clustering solutions. To deal with the most critical issue in a center-based clustering algorithm (selection of cluster centers), we also introduce the notion of stability of a cluster center, which is a well defined LP-based quantity that plays a key role to our algorithm's success. Furthermore, we also introduce, what we call, the margins (another key ingredient in our algorithm), which can be roughly thought of as dual counterparts to stabilities and allow us to obtain computationally efficient approximations to the latter. Promising experimental results demonstrate the potentials of our method.

We introduce a family of unsupervised algorithms, numerical taxonomy clustering, to simultaneously cluster data, and to learn a taxonomy that encodes the relationship between the clusters. The algorithms work by maximizing the dependence between the taxonomy and the original data. The resulting taxonomy is a more informative visualization of complex data than simple clustering; in addition, taking into account the relations between different clusters is shown to substantially improve the quality of the clustering, when compared with state-of-the-art algorithms in the literature (both spectral clustering and a previous dependence maximization approach). We demonstrate our algorithm on image and text data.

By attempting to simultaneously partition both the rows (examples) and columns (features) of a data matrix, Co-clustering algorithms often demonstrate surpris- ingly impressive performance improvements over traditional one-sided (row) clustering techniques. A good clustering of features may be seen as a combinatorial transformation of the data matrix, effectively enforcing a form of regularization that may lead to a better clustering of examples (and vice-versa). In many applications, partial supervision in the form of a few row labels as well as column labels may be available to potentially assist co-clustering. In this paper, we develop two novel semi-supervised multi-class classification algorithms motivated respectively by spectral bipartite graph partitioning and matrix approximation (e.g., non-negative matrix factorization) formulations for co-clustering. These algorithms (i) support dual supervision in the form of labels for both examples and/or features, (ii) provide principled predictive capability on out-of-sample test data, and (iii) arise naturally from the classical Representer theorem applied to regularization problems posed on a collection of Reproducing Kernel Hilbert Spaces. Empirical results demonstrate the effectiveness and utility of our algorithms.

We present a novel feature selection algorithm for the $k$-means clustering problem. Our algorithm is randomized and, assuming an accuracy parameter $\epsilon \in (0,1)$, selects and appropriately rescales in an unsupervised manner $\Theta(k \log(k / \epsilon) / \epsilon^2)$ features from a dataset of arbitrary dimensions. We prove that, if we run any $\gamma$-approximate $k$-means algorithm ($\gamma \geq 1$) on the features selected using our method, we can find a $(1+(1+\epsilon)\gamma)$-approximate partition with high probability.

Detecting underlying clusters from large-scale data plays a central role in machine learning research. In this paper, we attempt to tackle clustering problems for complex data of multiple distributions and large multi-scales. To this end, we develop an algorithm named Zeta $l$-links, or Zell which consists of two parts: Zeta merging with a similarity graph and an initial set of small clusters derived from local $l$-links of the graph. More specifically, we propose to structurize a cluster using cycles in the associated subgraph. A mathematical tool, Zeta function of a graph, is introduced for the integration of all cycles, leading to a structural descriptor of the cluster in determinantal form. The popularity character of the cluster is conceptualized as the global fusion of variations of the structural descriptor by means of the leave-one-out strategy in the cluster. Zeta merging proceeds, in the agglomerative fashion, according to the maximum incremental popularity among all pairwise clusters. Experiments on toy data, real imagery data, and real sensory data show the promising performance of Zell. The $98.1\%$ accuracy, in the sense of the normalized mutual information, is obtained on the FRGC face data of 16028 samples and 466 facial clusters. The MATLAB codes of Zell will be made publicly available for peer evaluation.

Graph clustering methods such as spectral clustering are defined for general weighted graphs. In machine learning, however, data often is not given in form of a graph, but in terms of similarity (or distance) values between points. In this case, first a neighborhood graph is constructed using the similarities between the points and then a graph clustering algorithm is applied to this graph.

We present a new co-clustering problem of images and visual features. The problem involvesa set of non-object images in addition to a set of object images and features to be co-clustered. Co-clustering is performed in a way that maximises discrimination of object images from non-object images, thus emphasizing discriminative features.This provides a way of obtaining perceptual joint-clusters of object images and features. We tackle the problem by simultaneously boosting multiplestrong classifiers which compete for images by their expertise. Each boosting classifier is an aggregation of weak-learners, i.e. simple visual features. The obtained classifiers are useful for object detection tasks which exhibit multimodalities, e.g.multi-category and multi-view object detection tasks. Experiments on a set of pedestrian images and a face data set demonstrate that the method yields intuitive image clusters with associated features and is much superior toconventional boosting classifiers in object detection tasks.