A tandem clustering process for multimodal datasets

Clustering multimodal datasets can be problematic when a conventional algorithm such as k-means is applied due to its implicit assumption of Gaussian distribution of the dataset. This paper proposes a tandem clustering process for multimodal data sets. The proposed method first divides the multimodal dataset into many small pre-clusters by applying k-means or fuzzy k-means algorithm. These pre-clusters are then clustered again by agglomerative hierarchical clustering method using Kullback–Leibler divergence as an initial measure of dissimilarity. Benchmark results show that the proposed approach is not only effective at extracting the multimodal clusters but also efficient in computational time and relatively robust at the presence of outliers.     

The k-means range algorithm for personalized data clustering in e-commerce

This paper describes the k-means range algorithm, a combination of the partitional k-means clustering algorithm with a well known spatial data structure, namely the range tree, which allows fast range searches. It offers a real-time solution for the development of distributed interactive decision aids in e-commerce since it allows the consumer to model his preferences along multiple dimensions, search for product information, and then produce the data clusters of the products retrieved to enhance his purchase decisions. This paper also discusses the implications and advantages of this approach in the development of on-line shopping environments and consumer decision aids in traditional and mobile e-commerce applications.     

Dissolution point and isolation robustness: Robustness criteria for general cluster analysis methods

Two robustness criteria are presented that are applicable to general clustering methods. Robustness and stability in cluster analysis are not only data dependent, but even cluster dependent. Robustness is in the present paper defined as a property of not only the clustering method, but also of every individual cluster in a data set. The main principles are: (a) dissimilarity measurement of an original cluster with the most similar cluster in the induced clustering obtained by adding data points, (b) the dissolution point, which is an adaptation of the breakdown point concept to single clusters, (c) isolation robustness: given a clustering method, is it possible to join, by addition of g points, arbitrarily well separated clusters?Results are derived for k-means, k-medoids (k estimated by average silhouette width), trimmed k-means, mixture models (with and without noise component, with and without estimation of the number of clusters by BIC), single and complete linkage.     

Probably certifiably correct <Emphasis Type="Italic">k</Emphasis>-means clustering

Recently, Bandeira (C R Math, 2015) introduced a new type of algorithm (the so-called probably certifiably correct algorithm) that combines fast solvers with the optimality certificates provided by convex relaxations. In this paper, we devise such an algorithm for the problem of k-means clustering. First, we prove that Peng and Wei’s semidefinite relaxation of k-means Peng and Wei (SIAM J Optim 18(1):186–205, 2007) is tight with high probability under a distribution of planted clusters called the stochastic ball model. Our proof follows from a new dual certificate for integral solutions of this semidefinite program. Next, we show how to test the optimality of a proposed k-means solution using this dual certificate in quasilinear time. Finally, we analyze a version of spectral clustering from Peng and Wei (SIAM J Optim 18(1):186–205, 2007) that is designed to solve k-means in the case of two clusters. In particular, we show that this quasilinear-time method typically recovers planted clusters under the stochastic ball model.     

Categorical data clustering with automatic selection of cluster number

In this paper, we investigate the problem of determining the number of clusters in the k-modes based categorical data clustering process. We propose a new categorical data clustering algorithm with automatic selection of k. The new algorithm extends the k-modes clustering algorithm by introducing a penalty term to the objective function to make more clusters compete for objects. In the new objective function, we employ a regularization parameter to control the number of clusters in a clustering process. Instead of finding k directly, we choose a suitable value of regularization parameter such that the corresponding clustering result is the most stable one among all the generated clustering results. Experimental results on synthetic data sets and the real data sets are used to demonstrate the effectiveness of the proposed algorithm.     

K-Harmonic means data clustering with tabu-search method

Clustering is a popular data analysis and data mining technique. Since clustering problem have NP-complete nature, the larger the size of the problem, the harder to find the optimal solution and furthermore, the longer to reach a reasonable results. A popular technique for clustering is based on K-means such that the data is partitioned into K clusters. In this method, the number of clusters is predefined and the technique is highly dependent on the initial identification of elements that represent the clusters well. A large area of research in clustering has focused on improving the clustering process such that the clusters are not dependent on the initial identification of cluster representation. Another problem about clustering is local minimum problem. Although studies like K-Harmonic means clustering solves the initialization problem trapping to the local minima is still a problem of clustering. In this paper we develop a new algorithm for solving this problem based on a tabu search technique—Tabu K-Harmonic means (TabuKHM). The experiment results on the Iris and the other well known data, illustrate the robustness of the TabuKHM clustering algorithm.     

Fitting semiparametric clustering models to dissimilarity data

The cluster analysis problem of partitioning a set of objects from dissimilarity data is here handled with the statistical model-based approach of fitting the “closest” classification matrix to the observed dissimilarities. A classification matrix represents a clustering structure expressed in terms of dissimilarities. In cluster analysis there is a lack of methodologies widely used to directly partition a set of objects from dissimilarity data. In real applications, a hierarchical clustering algorithm is applied on dissimilarities and subsequently a partition is chosen by visual inspection of the dendrogram. Alternatively, a “tandem analysis” is used by first applying a Multidimensional Scaling (MDS) algorithm and then by using a partitioning algorithm such as k-means applied on the dimensions specified by the MDS. However, neither the hierarchical clustering algorithms nor the tandem analysis is specifically defined to solve the statistical problem of fitting the closest partition to the observed dissimilarities. This lack of appropriate methodologies motivates this paper, in particular, the introduction and the study of three new object partitioning models for dissimilarity data, their estimation via least-squares and the introduction of three new fast algorithms.     

Clustering of functional data in a low-dimensional subspace

To find optimal clusters of functional objects in a lower-dimensional subspace of data, a sequential method called tandem analysis, is often used, though such a method is problematic. A new procedure is developed to find optimal clusters of functional objects and also find an optimal subspace for clustering, simultaneously. The method is based on the k-means criterion for functional data and seeks the subspace that is maximally informative about the clustering structure in the data. An efficient alternating least-squares algorithm is described, and the proposed method is extended to a regularized method. Analyses of artificial and real data examples demonstrate that the proposed method gives correct and interpretable results.     

An overlapping cluster algorithm to provide non-exhaustive clustering

The partitioning clustering is a technique to classify n objects into k disjoint clusters, and has been developed for years and widely used in many applications. In this paper, a new overlapping cluster algorithm is defined. It differs from traditional clustering algorithms in three respects. First, the new clustering is overlapping, because clusters are allowed to overlap with one another. Second, the clustering is non-exhaustive, because an object is permitted to belong to no cluster. Third, the goals considered in this research are the maximization of the average number of objects contained in a cluster and the maximization of the distances among cluster centers, while the goals in previous research are the maximization of the similarities of objects in the same clusters and the minimization of the similarities of objects in different clusters. Furthermore, the new clustering is also different from the traditional fuzzy clustering, because the object–cluster relationship in the new clustering is represented by a crisp value rather than that represented by using a fuzzy membership degree. Accordingly, a new overlapping partitioning cluster (OPC) algorithm is proposed to provide overlapping and non-exhaustive clustering of objects. Finally, several simulation and real world data sets are used to evaluate the effectiveness and the efficiency of the OPC algorithm, and the outcomes indicate that the algorithm can generate satisfactory clustering results.     

Clustering via minimum volume ellipsoids

We propose minimum volume ellipsoids (MVE) clustering as an alternative clustering technique to k-means for data clusters with ellipsoidal shapes and explore its value and practicality. MVE clustering allocates data points into clusters in a way that minimizes the geometric mean of the volumes of each cluster’s covering ellipsoids. Motivations for this approach include its scale-invariance, its ability to handle asymmetric and unequal clusters, and our ability to formulate it as a mixed-integer semidefinite programming problem that can be solved to global optimality. We present some preliminary empirical results that illustrate MVE clustering as an appropriate method for clustering data from mixtures of “ellipsoidal” distributions and compare its performance with the k-means clustering algorithm as well as the MCLUST algorithm (which is based on a maximum likelihood EM algorithm) available in the statistical package R. Research of the first author was supported in part by a Discovery Grant from NSERC and a research grant from Faculty of Mathematics, University of Waterloo. Research of the second author was supported in part by a Discovery Grant from NSERC and a PREA from Ontario, Canada.     

An extension to possibilistic fuzzy cluster analysis

We explore an approach to possibilistic fuzzy clustering that avoids a severe drawback of the conventional approach, namely that the objective function is truly minimized only if all cluster centers are identical. Our approach is based on the idea that this undesired property can be avoided if we introduce a mutual repulsion of the clusters, so that they are forced away from each other. We develop this approach for the possibilistic fuzzy c-means algorithm and the Gustafson–Kessel algorithm. In our experiments we found that in this way we can combine the partitioning property of the probabilistic fuzzy c-means algorithm with the advantages of a possibilistic approach w.r.t. the interpretation of the membership degrees.     

The influence function of the TCLUST robust clustering procedure

The TCLUST procedure performs robust clustering with the aim of finding clusters with different scatter structures and weights. An Eigenvalues Ratio constraint is considered by TCLUST in order to achieve a wide range of clustering alternatives depending on the allowed differences among cluster scatter matrices. Moreover, this constraint avoids finding uninteresting spurious clusters. In order to guarantee the robustness of the method against the presence of outliers and background noise, the method allows for trimming of a given proportion of observations self-determined by the data. Based on this “impartial trimming”, the procedure is assumed to have good robustness properties. As it was done for the trimmed k-means method, this article studies robustness properties of the TCLUST procedure in the univariate case with two clusters by means of the influence function. The conclusion is that the TCLUST has a robustness behavior close to that of the trimmed k-means in spite of the fact that it addresses a more general clustering approach.     

Self-learning K-means clustering: a global optimization approach

An appropriate distance is an essential ingredient in various real-world learning tasks. Distance metric learning proposes to study a metric, which is capable of reflecting the data configuration much better in comparison with the commonly used methods. We offer an algorithm for simultaneous learning the Mahalanobis like distance and K-means clustering aiming to incorporate data rescaling and clustering so that the data separability grows iteratively in the rescaled space with its sequential clustering. At each step of the algorithm execution, a global optimization problem is resolved in order to minimize the cluster distortions resting upon the current cluster configuration. The obtained weight matrix can also be used as a cluster validation characteristic. Namely, closeness of such matrices learned during a sample process can indicate the clusters readiness; i.e. estimates the true number of clusters. Numerical experiments performed on synthetic and on real datasets verify the high reliability of the proposed method.     

Interpretation and optimization of the k-means algorithm

The paper gives a new interpretation and a possible optimization of the wellknown k-means algorithm for searching for a locally optimal partition of the set A = {a _i ∈ ? ⁿ : i = 1, …, m} which consists of k disjoint nonempty subsets π₁, …, π _k , 1 ? k ? m. For this purpose, a new divided k-means algorithm was constructed as a limit case of the known smoothed k-means algorithm. It is shown that the algorithm constructed in this way coincides with the k-means algorithm if during the iterative procedure no data points appear in the Voronoi diagram. If in the partition obtained by applying the divided k-means algorithm there are data points lying in the Voronoi diagram, it is shown that the obtained result can be improved further.     

Comparing SOM neural network with Fuzzy c-means,K-means and traditional hierarchical clustering algorithms

In this paper we present a comparison among some nonhierarchical and hierarchical clustering algorithms including SOM (Self-Organization Map) neural network and Fuzzy c-means methods. Data were simulated considering correlated and uncorrelated variables, nonoverlapping and overlapping clusters with and without outliers. A total of 2530 data sets were simulated. The results showed that Fuzzy c-means had a very good performance in all cases being very stable even in the presence of outliers and overlapping. All other clustering algorithms were very affected by the amount of overlapping and outliers. SOM neural network did not perform well in almost all cases being very affected by the number of variables and clusters. The traditional hierarchical clustering and K-means methods presented similar performance.     

Splitting Methods for Convex Clustering

Clustering is a fundamental problem in many scientific applications. Standard methods such as k-means, Gaussian mixture models, and hierarchical clustering, however, are beset by local minima, which are sometimes drastically suboptimal. Recently introduced convex relaxations of k-means and hierarchical clustering shrink cluster centroids toward one another and ensure a unique global minimizer. In this work, we present two splitting methods for solving the convex clustering problem. The first is an instance of the alternating direction method of multipliers (ADMM); the second is an instance of the alternating minimization algorithm (AMA). In contrast to previously considered algorithms, our ADMM and AMA formulations provide simple and unified frameworks for solving the convex clustering problem under the previously studied norms and open the door to potentially novel norms. We demonstrate the performance of our algorithm on both simulated and real data examples. While the differences between the two algorithms appear to be minor on the surface, complexity analysis and numerical experiments show AMA to be significantly more efficient. This article has supplementary materials available online.     

Trimming Tools in Exploratory Data Analysis

Exploratory graphical tools based on trimming are proposed for detecting main clusters in a given dataset. The trimming is obtained by resorting to trimmed k-means methodology. The analysis always reduces to the examination of real valued curves, even in the multivariate case. As the technique is based on a robust clustering criterium, it is able to handle the presence of different kinds of outliers. An algorithm is proposed to carry out this (computer intensive) method. As with classical k-means, the method is specially oriented to mixtures of spherical distributions. A possible generalization is outlined to overcome this drawback.     

Density based fuzzy c-means clustering of non-convex patterns

We propose a new technique to perform unsupervised data classification (clustering) based on density induced metric and non-smooth optimization. Our goal is to automatically recognize multidimensional clusters of non-convex shape. We present a modification of the fuzzy c-means algorithm, which uses the data induced metric, defined with the help of Delaunay triangulation. We detail computation of the distances in such a metric using graph algorithms. To find optimal positions of cluster prototypes we employ the discrete gradient method of non-smooth optimization. The new clustering method is capable to identify non-convex overlapped d-dimensional clusters.     

Iterative factor clustering of binary data

Binary data represent a very special condition where both measures of distance and co-occurrence can be adopted. Euclidean distance-based non-hierarchical methods, like the k-means algorithm, or one of its versions, can be profitably used. When the number of available attributes increases the global clustering performance usually worsens. In such cases, to enhance group separability it is necessary to remove the irrelevant and redundant noisy information from the data. The present approach belongs to the category of attribute transformation strategy, and combines clustering and factorial techniques to identify attribute associations that characterize one or more homogeneous groups of statistical units. Furthermore, it provides graphical representations that facilitate the interpretation of the results.     

Automatic domain decomposition for semiclassical Bohmian mechanics using k-means clustering

We propose a method to automatically decompose domains in the context of semiclassical Bohmian mechanics. The algorithm is based on the approximate quantum potential method and the technique of k-means clustering. Two numerical examples, static analysis of quantum forces for a Pearson Type IV distribution and temporal analysis of the scattering on the Eckart barrier, are presented to show the viability of the method. The first example demonstrates that approximate quantum forces using our domain decomposition technique achieves convergence as the number of domains increases. In the second example, it is demonstrated that the domains constructed from k-means clustering has well adapted themselves to the evolving wave packet, providing coverage to both transmission and reflection waves. We also confirm that the use of multiple domains improves the evolution of the wave packet by comparing the result with the quantum mechanical solution, previously obtained. The computational cost remains manageable even with a naive implementation of time-consuming summation routines, but development of more sophisticated methodology is recommended for large scale, multidimensional calculations.