Model-based clustering,classification, and discriminant analysis of data with mixed type

We propose a mixture of latent variables model for the model-based clustering, classification, and discriminant analysis of data comprising variables with mixed type. This approach is a generalization of latent variable analysis, and model fitting is carried out within the expectation-maximization framework. Our approach is outlined and a simulation study conducted to illustrate the effect of sample size and noise on the standard errors and the recovery probabilities for the number of groups. Our modelling methodology is then applied to two real data sets and their clustering and classification performance is discussed. We conclude with discussion and suggestions for future work.     

Model-based classification using latent Gaussian mixture models

A novel model-based classification technique is introduced based on parsimonious Gaussian mixture models (PGMMs). PGMMs, which were introduced recently as a model-based clustering technique, arise from a generalization of the mixtures of factor analyzers model and are based on a latent Gaussian mixture model. In this paper, this mixture modelling structure is used for model-based classification and the particular area of application is food authenticity. Model-based classification is performed by jointly modelling data with known and unknown group memberships within a likelihood framework and then estimating parameters, including the unknown group memberships, within an alternating expectation-conditional maximization framework. Model selection is carried out using the Bayesian information criteria and the quality of the maximum a posteriori classifications is summarized using the misclassification rate and the adjusted Rand index. This new model-based classification technique gives excellent classification performance when applied to real food authenticity data on the chemical properties of olive oils from nine areas of Italy.     

Model-based clustering, classification, and discriminant analysis via mixtures of multivariate t-distributions

The last decade has seen an explosion of work on the use of mixture models for clustering. The use of the Gaussian mixture model has been common practice, with constraints sometimes imposed upon the component covariance matrices to give families of mixture models. Similar approaches have also been applied, albeit with less fecundity, to classification and discriminant analysis. In this paper, we begin with an introduction to model-based clustering and a succinct account of the state-of-the-art. We then put forth a novel family of mixture models wherein each component is modeled using a multivariate t-distribution with an eigen-decomposed covariance structure. This family, which is largely a t-analogue of the well-known MCLUST family, is known as the tEIGEN family. The efficacy of this family for clustering, classification, and discriminant analysis is illustrated with both real and simulated data. The performance of this family is compared to its Gaussian counterpart on three real data sets.     

Mixtures of modified t-factor analyzers for model-based clustering,classification, and discriminant analysis

A novel family of mixture models is introduced based on modified t-factor analyzers. Modified factor analyzers were recently introduced within the Gaussian context and our work presents a more flexible and robust alternative. We introduce a family of mixtures of modified t-factor analyzers that uses this generalized version of the factor analysis covariance structure. We apply this family within three paradigms: model-based clustering; model-based classification; and model-based discriminant analysis. In addition, we apply the recently published Gaussian analogue to this family under the model-based classification and discriminant analysis paradigms for the first time. Parameter estimation is carried out within the alternating expectation-conditional maximization framework and the Bayesian information criterion is used for model selection. Two real data sets are used to compare our approach to other popular model-based approaches; in these comparisons, the chosen mixtures of modified t-factor analyzers model performs favourably. We conclude with a summary and suggestions for future work.     

Mixtures of general location model with factor analyzer covariance structure for clustering mixed type data

Cluster analysis is one of the most widely used method in statistical analyses, in which homogeneous subgroups are identified in a heterogeneous population. Due to the existence of the continuous and discrete mixed data in many applications, so far, some ordinary clustering methods such as, hierarchical methods, k-means and model-based methods have been extended for analysis of mixed data. However, in the available model-based clustering methods, by increasing the number of continuous variables, the number of parameters increases and identifying as well as fitting an appropriate model may be difficult. In this paper, to reduce the number of the parameters, for the model-based clustering mixed data of continuous (normal) and nominal data, a set of parsimonious models is introduced. Models in this set are extended, using the general location model approach, for modeling distribution of mixed variables and applying factor analyzer structure for covariance matrices. The ECM algorithm is used for estimating the parameters of these models. In order to show the performance of the proposed models for clustering, results from some simulation studies and analyzing two real data sets are presented.     

A finite mixture approach to joint clustering of individuals and multivariate discrete outcomes

In this work, we modify finite mixtures of factor analysers to provide a method for simultaneous clustering of subjects and multivariate discrete outcomes. The joint clustering is performed through a suitable reparameterization of the outcome (column)-specific parameters. We develop an expectation–maximization-type algorithm for maximum likelihood parameter estimation where the maximization step is divided into orthogonal sub-blocks that refer to row and column-specific parameters, respectively. Model performance is evaluated via a simulation study with varying sample size, number of outcomes and row/column-specific clustering (partitions). We compare the performance of our model with the performance of standard model-based biclustering approaches. The proposed method is also demonstrated on a benchmark data set where a multivariate binary response is considered.     

An online classification EM algorithm based on the mixture model

Mixture model-based clustering is widely used in many applications. In certain real-time applications the rapid increase of data size with time makes classical clustering algorithms too slow. An online clustering algorithm based on mixture models is presented in the context of a real-time flaw-diagnosis application for pressurized containers which uses data from acoustic emission signals. The proposed algorithm is a stochastic gradient algorithm derived from the classification version of the EM algorithm (CEM). It provides a model-based generalization of the well-known online k-means algorithm, able to handle non-spherical clusters. Using synthetic and real data sets, the proposed algorithm is compared with the batch CEM algorithm and the online EM algorithm. The three approaches generate comparable solutions in terms of the resulting partition when clusters are relatively well separated, but online algorithms become faster as the size of the available observations increases.     

The Clustering of Categorical Data: A Comparison of a Model-based and a Distance-based Approach

For clustering multivariate categorical data, a latent class model-based approach (LCC) with local independence is compared with a distance-based approach, namely partitioning around medoids (PAM). A comprehensive simulation study was evaluated by both a model-based as well as a distance-based criterion. LCC was better according to the model-based criterion and PAM was sometimes better according to the distance-based criterion. However, LCC had an overall good and sometimes better distance-based performance as PAM, although this was not the case in a real data set on tribal art items.     

Comparison of clustering algorithms on generalized propensity score in observational studies: a simulation study

In observational studies, unbalanced observed covariates between treatment groups often cause biased inferences on the estimation of treatment effects. Recently, generalized propensity score (GPS) has been proposed to overcome this problem; however, a practical technique to apply the GPS is lacking. This study demonstrates how clustering algorithms can be used to group similar subjects based on transformed GPS. We compare four popular clustering algorithms: k-means clustering (KMC), model-based clustering, fuzzy c-means clustering and partitioning around medoids based on the following three criteria: average dissimilarity between subjects within clusters, average Dunn index and average silhouette width under four various covariate scenarios. Simulation studies show that the KMC algorithm has overall better performance compared with the other three clustering algorithms. Therefore, we recommend using the KMC algorithm to group similar subjects based on the transformed GPS.     

Simple Measures of Individual Cluster-Membership Certainty for Hard Partitional Clustering

We propose two probability-like measures of individual cluster-membership certainty that can be applied to a hard partition of the sample such as that obtained from the partitioning around medoids (PAM) algorithm, hierarchical clustering or k-means clustering. One measure extends the individual silhouette widths and the other is obtained directly from the pairwise dissimilarities in the sample. Unlike the classic silhouette, however, the measures behave like probabilities and can be used to investigate an individual’s tendency to belong to a cluster. We also suggest two possible ways to evaluate the hard partition using these measures. We evaluate the performance of both measures in individuals with ambiguous cluster membership, using simulated binary datasets that have been partitioned by the PAM algorithm or continuous datasets that have been partitioned by hierarchical clustering and k-means clustering. For comparison, we also present results from soft-clustering algorithms such as soft analysis clustering (FANNY) and two model-based clustering methods. Our proposed measures perform comparably to the posterior probability estimators from either FANNY or the model-based clustering methods. We also illustrate the proposed measures by applying them to Fisher’s classic dataset on irises.     

Using unlabelled data to update classification rules with applications in food authenticity studies

Summary.  An authentic food is one that is what it purports to be. Food processors and consumers need to be assured that, when they pay for a specific product or ingredient, they are receiving exactly what they pay for. Classification methods are an important tool in food authenticity studies where they are used to assign food samples of unknown type to known types. A classification method is developed where the classification rule is estimated by using both the labelled and the unlabelled data, in contrast with many classical methods which use only the labelled data for estimation. This methodology models the data as arising from a Gaussian mixture model with parsimonious covariance structure, as is done in model-based clustering. A missing data formulation of the mixture model is used and the models are fitted by using the EM and classification EM algorithms. The methods are applied to the analysis of spectra of food-stuffs recorded over the visible and near infra-red wavelength range in food authenticity studies. A comparison of the performance of model-based discriminant analysis and the method of classification proposed is given. The classification method proposed is shown to yield very good misclassification rates. The correct classification rate was observed to be as much as 15% higher than the correct classification rate for model-based discriminant analysis.     

Bayesian clustering for continuous-time hidden Markov models

We develop clustering procedures for longitudinal trajectories based on a continuous-time hidden Markov model (CTHMM) and a generalized linear observation model. Specifically, in this article we carry out finite and infinite mixture model-based clustering for a CTHMM and achieve inference using Markov chain Monte Carlo (MCMC). For a finite mixture model with a prior on the number of components, we implement reversible-jump MCMC to facilitate the trans-dimensional move between models with different numbers of clusters. For a Dirichlet process mixture model, we utilize restricted Gibbs sampling split–merge proposals to improve the performance of the MCMC algorithm. We apply our proposed algorithms to simulated data as well as a real-data example, and the results demonstrate the desired performance of the new sampler.     

Model selection for probabilistic clustering using cross-validated likelihood

Cross-validated likelihood is investigated as a tool for automatically determining the appropriate number of components (given the data) in finite mixture modeling, particularly in the context of model-based probabilistic clustering. The conceptual framework for the cross-validation approach to model selection is straightforward in the sense that models are judged directly on their estimated out-of-sample predictive performance. The cross-validation approach, as well as penalized likelihood and McLachlan's bootstrap method, are applied to two data sets and the results from all three methods are in close agreement. The second data set involves a well-known clustering problem from the atmospheric science literature using historical records of upper atmosphere geopotential height in the Northern hemisphere. Cross-validated likelihood provides an interpretable and objective solution to the atmospheric clustering problem. The clusters found are in agreement with prior analyses of the same data based on non-probabilistic clustering techniques.     

Clustering gene expression time course data using mixtures of multivariate t-distributions

Clustering gene expression time course data is an important problem in bioinformatics because understanding which genes behave similarly can lead to the discovery of important biological information. Statistically, the problem of clustering time course data is a special case of the more general problem of clustering longitudinal data. In this paper, a very general and flexible model-based technique is used to cluster longitudinal data. Mixtures of multivariate t-distributions are utilized, with a linear model for the mean and a modified Cholesky-decomposed covariance structure. Constraints are placed upon the covariance structure, leading to a novel family of mixture models, including parsimonious models. In addition to model-based clustering, these models are also used for model-based classification, i.e., semi-supervised clustering. Parameters, including the component degrees of freedom, are estimated using an expectation-maximization algorithm and two different approaches to model selection are considered. The models are applied to simulated data to illustrate their efficacy; this includes a comparison with their Gaussian analogues—the use of these Gaussian analogues with a linear model for the mean is novel in itself. Our family of multivariate t mixture models is then applied to two real gene expression time course data sets and the results are discussed. We conclude with a summary, suggestions for future work, and a discussion about constraining the degrees of freedom parameter.     

A Permutation Based Procedure for Classification Assessment

This article proposes a permutation procedure for evaluating the performance of different classification methods. In particular, we focus on two of the most widespread and used classification methodologies: latent class analysis and k-means clustering. The classification performance is assessed by means of a permutation procedure which allows for a direct comparison of the methods, the development of a statistical test, and points out better potential solutions. Our proposal provides an innovative framework for the validation of the data partitioning and offers a guide in the choice of which classification procedure should be used     

SVM-like decision theoretical classification of high-dimensional vectors

In this paper, we consider the classification of high-dimensional vectors based on a small number of training samples from each class. The proposed method follows the Bayesian paradigm, and it is based on a small vector which can be viewed as the regression of the new observation on the space spanned by the training samples. The classification method provides posterior probabilities that the new vector belongs to each of the classes, hence it adapts naturally to any number of classes. Furthermore, we show a direct similarity between the proposed method and the multicategory linear support vector machine introduced in Lee et al. [2004. Multicategory support vector machines: theory and applications to the classification of microarray data and satellite radiance data. Journal of the American Statistical Association 99 (465), 67–81]. We compare the performance of the technique proposed in this paper with the SVM classifier using real-life military and microarray datasets. The study shows that the misclassification errors of both methods are very similar, and that the posterior probabilities assigned to each class are fairly accurate.     

K-medoids inverse regression

Abstract

K-means inverse regression was developed as an easy-to-use dimension reduction procedure for multivariate regression. This approach is similar to the original sliced inverse regression method, with the exception that the slices are explicitly produced by a K-means clustering of the response vectors. In this article, we propose K-medoids clustering as an alternative clustering approach for slicing and compare its performance to K-means in a simulation study. Although the two methods often produce comparable results, K-medoids tends to yield better performance in the presence of outliers. In addition to isolation of outliers, K-medoids clustering also has the advantage of accommodating a broader range of dissimilarity measures, which could prove useful in other graphical regression applications where slicing is required.     

Model-based clustering with sparse covariance matrices

Statistics and Computing - Finite Gaussian mixture models are widely used for model-based clustering of continuous data. Nevertheless, since the number of model parameters scales quadratically with...     

Cluster detection and clustering with random start forward searches

The forward search is a method of robust data analysis in which outlier free subsets of the data of increasing size are used in model fitting; the data are then ordered by closeness to the model. Here the forward search, with many random starts, is used to cluster multivariate data. These random starts lead to the diagnostic identification of tentative clusters. Application of the forward search to the proposed individual clusters leads to the establishment of cluster membership through the identification of non-cluster members as outlying. The method requires no prior information on the number of clusters and does not seek to classify all observations. These properties are illustrated by the analysis of 200 six-dimensional observations on Swiss banknotes. The importance of linked plots and brushing in elucidating data structures is illustrated. We also provide an automatic method for determining cluster centres and compare the behaviour of our method with model-based clustering. In a simulated example with eight clusters our method provides more stable and accurate solutions than model-based clustering. We consider the computational requirements of both procedures.     

Open-Set Nearest Shrunken Centroid Classification

Nearest Shrunken Centroid (NSC) classification has proven successful in ultra-high-dimensional classification problems involving thousands of features measured on relatively few individuals, such as in the analysis of DNA microarrays. The method requires the set of candidate classes to be closed. However, open-set classification is essential in many other applications including speaker identification, facial recognition, and authorship attribution. The authors review closed-set NSC classification, and then propose a diagnostic for whether open-set classification is needed. The diagnostic involves graphical and statistical comparison of posterior predictions of the test vectors to the observed test vectors. The authors propose a simple modification to NSC that allows the set of classes to be open. The open-set modification posits an unobserved class with a distribution of features just barely consistent with the test sample. A tuning constant reflects the combined considerations of power, specificity, multiplicity, number of features, and sample size. The authors illustrate and investigate properties of the diagnostic test and open-set NSC classification procedure using several example data sets. The diagnostic and the open-set NSC procedures are shown to be useful for identifying vectors that are not consistent with any of the candidate classes.