An online Bayesian mixture labelling method by minimizing deviance of classification probabilities to reference labels

Solving label switching is crucial for interpreting the results of fitting Bayesian mixture models. The label switching originates from the invariance of posterior distribution to permutation of component labels. As a result, the component labels in Markov chain simulation may switch to another equivalent permutation, and the marginal posterior distribution associated with all labels may be similar and useless for inferring quantities relating to each individual component. In this article, we propose a new simple labelling method by minimizing the deviance of the class probabilities to a fixed reference labels. The reference labels can be chosen before running Markov chain Monte Carlo (MCMC) using optimization methods, such as expectation-maximization algorithms, and therefore the new labelling method can be implemented by an online algorithm, which can reduce the storage requirements and save much computation time. Using the Acid data set and Galaxy data set, we demonstrate the success of the proposed labelling method for removing the labelling switching in the raw MCMC samples.     

Bayesian finite mixtures with an unknown number of components: The allocation sampler

A new Markov chain Monte Carlo method for the Bayesian analysis of finite mixture distributions with an unknown number of components is presented. The sampler is characterized by a state space consisting only of the number of components and the latent allocation variables. Its main advantage is that it can be used, with minimal changes, for mixtures of components from any parametric family, under the assumption that the component parameters can be integrated out of the model analytically. Artificial and real data sets are used to illustrate the method and mixtures of univariate and of multivariate normals are explicitly considered. The problem of label switching, when parameter inference is of interest, is addressed in a post-processing stage.     

Bayesian analysis for mixtures of discrete distributions with a non-parametric component

Bayesian finite mixture modelling is a flexible parametric modelling approach for classification and density fitting. Many areas of application require distinguishing a signal from a noise component. In practice, it is often difficult to justify a specific distribution for the signal component; therefore, the signal distribution is usually further modelled via a mixture of distributions. However, modelling the signal as a mixture of distributions is computationally non-trivial due to the difficulties in justifying the exact number of components to be used and due to the label switching problem. This paper proposes the use of a non-parametric distribution to model the signal component. We consider the case of discrete data and show how this new methodology leads to more accurate parameter estimation and smaller false non-discovery rate. Moreover, it does not incur the label switching problem. We show an application of the method to data generated by ChIP-sequencing experiments.     

Relabelling in Bayesian mixture models by pivotal units

Label switching is a well-known and fundamental problem in Bayesian estimation of finite mixture models. It arises when exploring complex posterior distributions by Markov Chain Monte Carlo (MCMC) algorithms, because the likelihood of the model is invariant to the relabelling of mixture components. If the MCMC sampler randomly switches labels, then it is unsuitable for exploring the posterior distributions for component-related parameters. In this paper, a new procedure based on the post-MCMC relabelling of the chains is proposed. The main idea of the method is to perform a clustering technique on the similarity matrix, obtained through the MCMC sample, whose elements are the probabilities that any two units in the observed sample are drawn from the same component. Although it cannot be generalized to any situation, it may be handy in many applications because of its simplicity and very low computational burden.     

Relabel mixture models via modal clustering

Effectively solving the label switching problem is critical for both Bayesian and Frequentist mixture model analyses. In this article, a new relabeling method is proposed by extending a recently developed modal clustering algorithm. First, the posterior distribution is estimated by a kernel density from permuted MCMC or bootstrap samples of parameters. Second, a modal EM algorithm is used to find the m! symmetric modes of the KDE. Finally, samples that ascend to the same mode are assigned the same label. Simulations and real data applications demonstrate that the new method provides more accurate estimates than many existing relabeling methods.     

Model based labeling for mixture models

Label switching is one of the fundamental problems for Bayesian mixture model analysis. Due to the permutation invariance of the mixture posterior, we can consider that the posterior of a m-component mixture model is a mixture distribution with m! symmetric components and therefore the object of labeling is to recover one of the components. In order to do labeling, we propose to first fit a symmetric m!-component mixture model to the Markov chain Monte Carlo (MCMC) samples and then choose the label for each sample by maximizing the corresponding classification probabilities, which are the probabilities of all possible labels for each sample. Both parametric and semi-parametric ways are proposed to fit the symmetric mixture model for the posterior. Compared to the existing labeling methods, our proposed method aims to approximate the posterior directly and provides the labeling probabilities for all possible labels and thus has a model explanation and theoretical support. In addition, we introduce a situation in which the “ideally” labeled samples are available and thus can be used to compare different labeling methods. We demonstrate the success of our new method in dealing with the label switching problem using two examples.     

A clustering approach to interpretable principal components

A new method for constructing interpretable principal components is proposed. The method first clusters the variables, and then interpretable (sparse) components are constructed from the correlation matrices of the clustered variables. For the first step of the method, a new weighted-variances method for clustering variables is proposed. It reflects the nature of the problem that the interpretable components should maximize the explained variance and thus provide sparse dimension reduction. An important feature of the new clustering procedure is that the optimal number of clusters (and components) can be determined in a non-subjective manner. The new method is illustrated using well-known simulated and real data sets. It clearly outperforms many existing methods for sparse principal component analysis in terms of both explained variance and sparseness.     

Nonparametric estimation of a switching regression model

High-dimensional data often exhibit multi-collinearity, leading to unstable regression coefficients. To address sample selection bias and problems associated with high dimensionality, principal components were extracted and used as predictors in a switching regression model. Since principal component regression often results to decline in predictive ability due to the selection of few principal components, we formulate the model with nonparametric function of principal components in lieu of individual predictors. Simulation studies indicated better predictive ability for nonparametric principal component switching regression over the parametric counterpart while mitigating the adverse effects of multi-collinearity and high dimensionality.     

Dealing with label switching in mixture models

In a Bayesian analysis of finite mixture models, parameter estimation and clustering are sometimes less straightforward than might be expected. In particular, the common practice of estimating parameters by their posterior mean, and summarizing joint posterior distributions by marginal distributions, often leads to nonsensical answers. This is due to the so-called 'label switching' problem, which is caused by symmetry in the likelihood of the model parameters. A frequent response to this problem is to remove the symmetry by using artificial identifiability constraints. We demonstrate that this fails in general to solve the problem, and we describe an alternative class of approaches, relabelling algorithms , which arise from attempting to minimize the posterior expected loss under a class of loss functions. We describe in detail one particularly simple and general relabelling algorithm and illustrate its success in dealing with the label switching problem on two examples.     

A comparative study of the K-means algorithm and the normal mixture model for clustering: Bivariate homoscedastic case

The K-means algorithm and the normal mixture model method are two common clustering methods. The K-means algorithm is a popular heuristic approach which gives reasonable clustering results if the component clusters are ball-shaped. Currently, there are no analytical results for this algorithm if the component distributions deviate from the ball-shape. This paper analytically studies how the K-means algorithm changes its classification rule as the normal component distributions become more elongated under the homoscedastic assumption and compares this rule with that of the Bayes rule from the mixture model method. We show that the classification rules of both methods are linear, but the slopes of the two classification lines change in the opposite direction as the component distributions become more elongated. The classification performance of the K-means algorithm is then compared to that of the mixture model method via simulation. The comparison, which is limited to two clusters, shows that the K-means algorithm provides poor classification performances consistently as the component distributions become more elongated while the mixture model method can potentially, but not necessarily, take advantage of this change and provide a much better classification performance.     

Relabelling algorithms for mixture models with applications for large data sets

Mixture models are flexible tools in density estimation and classification problems. Bayesian estimation of such models typically relies on sampling from the posterior distribution using Markov chain Monte Carlo. Label switching arises because the posterior is invariant to permutations of the component parameters. Methods for dealing with label switching have been studied fairly extensively in the literature, with the most popular approaches being those based on loss functions. However, many of these algorithms turn out to be too slow in practice, and can be infeasible as the size and/or dimension of the data grow. We propose a new, computationally efficient algorithm based on a loss function interpretation, and show that it can scale up well in large data set scenarios. Then, we review earlier solutions which can scale up well for large data set, and compare their performances on simulated and real data sets. We conclude with some discussions and recommendations of all the methods studied.     

一种加权主成分距离的聚类分析方法

指标之间的高度相关性及其重要性差异导致了传统聚类分析方法往往无法获得良好的分类效果。本文在对传统聚类分析方法及其各种改进方法局限性展开探讨的基础上,运用数学方法重构了分类定义中的距离概念,通过定义自适应赋权的主成分距离为分类统计量,提出一种新的改进的主成分聚类分析方法——加权主成分距离聚类分析法。理论研究表明,加权主成分距离聚类分析法系统集成了已有聚类分析方法的优点,有充分的理论基础保证其科学合理性。仿真实验结果显示,加权主成分距离聚类分析法能够有效解决已有聚类分析方法在特定情形下的失真问题,所得分类效果更为理想。     

Bayesian Analysis of an Unobserved-Component Time Series Model of GDP With Markov-Switching and Time-Varying Growths

We propose an unobserved-component time series model of gross domestic product that includes Markov switching as an unobserved component. In addition to a trend component, the model has two time-varying drift components. One drift represents the expected rate of growth during recession; the other drift represents the expected rate during expansion. Estimates indicate a substantial decline in the latter annual rate for the United States from 6.4% in 1950 to 3.6% by 1990. We have employed weak priors based on prewar data. The estimation makes use of the Gibbs sampler and the Metropolis algorithm.     

Handling the Label Switching Problem in Latent Class Models Via the ECR Algorithm

Latent class models (LCMs) are specific cases of mixture models. Under a Bayesian setup, the symmetric posterior distribution of these models leads Markov chain Monte Carlo (MCMC) methods to suffer from the so-called label switching problem. In this article, we treat the corresponding MCMC outputs using a recent approach, namely, the Equivalence Classes Representative (ECR) algorithm and conclude that it can effectively solve the label switching problem by considering several examples of LCMs, such as mixtures of regressions, hidden Markov models, and Markov random fields. Moreover, the superiority of this method over other approaches becomes apparent.     

Theoretical properties of tests for spatial clustering of count data

Testing for spatial clustering of count data is an important problem in spatial data analysis. Several procedures have been proposed to this end but despite their extensive use, studies of their fundamental theoretical properties are almost non‐existent. The authors suggest two conditions that any reasonable test for spatial clustering should satisfy. The latter are based on the notion that the null hypothesis should be rejected almost surely as the amount of spatial clustering tends to infinity. The authors show that the chisquared test and the Potthoff—Whittinghill V have both properties but that other classical tests do not.     

Reversible jump and the label switching problem in hidden Markov models

Reversible jump Markov chain Monte Carlo (RJMCMC) algorithms can be efficiently applied in Bayesian inference for hidden Markov models (HMMs), when the number of latent regimes is unknown. As for finite mixture models, when priors are invariant to the relabelling of the regimes, HMMs are unidentifiable in data fitting, because multiple ways to label the regimes can alternate during the MCMC iterations; this is the so-called label switching problem. HMMs with an unknown number of regimes are considered here and the goal of this paper is the comparison, both applied and theoretical, of five methods used for tackling label switching within a RJMCMC algorithm; they are: post-processing, partial reordering, permutation sampling, sampling from a Markov prior and rejection sampling. The five strategies we compare have been proposed mostly in the literature of finite mixture models and only two of them, i.e. rejection sampling and partial reordering, have been presented in RJMCMC algorithms for HMMs. We consider RJMCMC algorithms in which the parameters are updated by Gibbs sampling and the dimension of the model changes in split-and-merge and birth-and-death moves. Finally, an example illustrates and compares the five different methodologies.     

Influential observations in principal component analysis:a case study

A number of results have been derived recently concerning the influence of individual observations in a principal component analysis. Some of these results, particularly those based on the correlation matrix, are applied to data consisting of seven anatomical measurements on students. The data have a correlation structure which is fairly typical of many found in allometry. This case study shows that theoretical influence functions often provide good estimates of the actual changes observed when individual observations are deleted from a principal component analysis. Different observations may be influential for different aspects of the principal component analysis (coefficients, variances and scores of principal components); these differences, and the distinction between outlying and influential observations are discussed in the context of the case study. A number of other complications, such as switching and rotation of principal components when an observation is deleted, are also illustrated.     

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.     

A shared component model for detecting joint and selective clustering of two diseases

The study of spatial variations in disease rates is a common epidemiological approach used to describe the geographical clustering of diseases and to generate hypotheses about the possible 'causes' which could explain apparent differences in risk. Recent statistical and computational developments have led to the use of realistically complex models to account for overdispersion and spatial correlation. However, these developments have focused almost exclusively on spatial modelling of a single disease. Many diseases share common risk factors (smoking being an obvious example) and, if similar patterns of geographical variation of related diseases can be identified, this may provide more convincing evidence of real clustering in the underlying risk surface. We propose a shared component model for the joint spatial analysis of two diseases. The key idea is to separate the underlying risk surface for each disease into a shared and a disease-specific component. The various components of this formulation are modelled simultaneously by using spatial cluster models implemented via reversible jump Markov chain Monte Carlo methods. We illustrate the methodology through an analysis of oral and oesophageal cancer mortality in the 544 districts of Germany, 1986–1990.     

Label switching and its solutions for frequentist mixture models

In this article, the label switching problem and the importance of solving it are discussed for frequentist mixture models if a simulation study is used to evaluate the performance of mixture model estimators. Two effective labelling methods are proposed by using true label for each observation. The empirical studies demonstrate that the new proposed methods work well and provide better results than the rule of thumb method of order constraint labelling. In addition, a Monte Carlo study also demonstrates that simple order constraint labelling can sometimes produce severely biased, and possibly meaningless, estimated bias and standard errors.