Possible solution of some essential zero problems in compositional data analysis

One of the tantalising remaining problems in compositional data analysis lies in how to deal with data sets in which there are components which are essential zeros. By an essential zero we mean a component which is truly zero, not something recorded as zero simply because the experimental design or the measuring instrument has not been sufficiently sensitive to detect a trace of the part. Such essential zeros occur in many compositional situations, such as household budget patterns, time budgets, palaeontological zonation studies, ecological abundance studies. Devices such as nonzero replacement and amalgamation are almost invariably ad hoc and unsuccessful in such situations. From consideration of such examples it seems sensible to build up a model in two stages, the first determining where the zeros will occur and the second how the unit available is distributed among the non-zero parts. In this paper we suggest two such models, an independent binomial conditional logistic normal model and a hierarchical dependent binomial conditional logistic normal model. The compositional data in such modelling consist of an incidence matrix and a conditional compositional matrix. Interesting statistical problems arise, such as the question of estimability of parameters, the nature of the computational process for the estimation of both the incidence and compositional parameters caused by the complexity of the subcompositional structure, the formation of meaningful hypotheses, and the devising of suitable testing methodology within a lattice of such essential zero-compositional hypotheses. The methodology is illustrated by application to both simulated and real compositional data

Markov chain montecarlo method applied to rounding zeros of compositional data: first approach

As stated in Aitchison (1986), a proper study of relative variation in a compositional data set should be based on logratios, and dealing with logratios excludes dealing with zeros. Nevertheless, it is clear that zero observations might be present in real data sets, either because the corresponding part is completely absent –essential zeros– or because it is below detection limit –rounded zeros. Because the second kind of zeros is usually understood as “a trace too small to measure”, it seems reasonable to replace them by a suitable small value, and this has been the traditional approach. As stated, e.g. by Tauber (1999) and by Martín-Fernández, Barceló-Vidal, and Pawlowsky-Glahn (2000), the principal problem in compositional data analysis is related to rounded zeros. One should be careful to use a replacement strategy that does not seriously distort the general structure of the data. In particular, the covariance structure of the involved parts –and thus the metric properties– should be preserved, as otherwise further analysis on subpopulations could be misleading. Following this point of view, a non-parametric imputation method is introduced in Martín-Fernández, Barceló-Vidal, and Pawlowsky-Glahn (2000). This method is analyzed in depth by Martín-Fernández, Barceló-Vidal, and Pawlowsky-Glahn (2003) where it is shown that the theoretical drawbacks of the additive zero replacement method proposed in Aitchison (1986) can be overcome using a new multiplicative approach on the non-zero parts of a composition. The new approach has reasonable properties from a compositional point of view. In particular, it is “natural” in the sense that it recovers the “true” composition if replacement values are identical to the missing values, and it is coherent with the basic operations on the simplex. This coherence implies that the covariance structure of subcompositions with no zeros is preserved. As a generalization of the multiplicative replacement, in the same paper a substitution method for missing values on compositional data sets is introduced

Exploration of geological variability and possible processes through the use of compositional data analysis: an example using scottish metamorphosed

Developments in the statistical analysis of compositional data over the last two decades have made possible a much deeper exploration of the nature of variability, and the possible processes associated with compositional data sets from many disciplines. In this paper we concentrate on geochemical data sets. First we explain how hypotheses of compositional variability may be formulated within the natural sample space, the unit simplex, including useful hypotheses of subcompositional discrimination and specific perturbational change. Then we develop through standard methodology, such as generalised likelihood ratio tests, statistical tools to allow the systematic investigation of a complete lattice of such hypotheses. Some of these tests are simple adaptations of existing multivariate tests but others require special construction. We comment on the use of graphical methods in compositional data analysis and on the ordination of specimens. The recent development of the concept of compositional processes is then explained together with the necessary tools for a staying- in-the-simplex approach, namely compositional singular value decompositions. All these statistical techniques are illustrated for a substantial compositional data set, consisting of 209 major-oxide and rare-element compositions of metamorphosed limestones from the Northeast and Central Highlands of Scotland. Finally we point out a number of unresolved problems in the statistical analysis of compositional processes

Compositional Data Analysis with R

R from http://www.r-project.org/ is ‘GNU S’ – a language and environment for statistical computing and graphics. The environment in which many classical and modern statistical techniques have been implemented, but many are supplied as packages. There are 8 standard packages and many more are available through the cran family of Internet sites http://cran.r-project.org . We started to develop a library of functions in R to support the analysis of mixtures and our goal is a MixeR package for compositional data analysis that provides support for operations on compositions: perturbation and power multiplication, subcomposition with or without residuals, centering of the data, computing Aitchison’s, Euclidean, Bhattacharyya distances, compositional Kullback-Leibler divergence etc. graphical presentation of compositions in ternary diagrams and tetrahedrons with additional features: barycenter, geometric mean of the data set, the percentiles lines, marking and coloring of subsets of the data set, theirs geometric means, notation of individual data in the set . . . dealing with zeros and missing values in compositional data sets with R procedures for simple and multiplicative replacement strategy, the time series analysis of compositional data. We’ll present the current status of MixeR development and illustrate its use on selected data sets

Bayesian tools for zero counts in compositional data

The log-ratio methodology makes available powerful tools for analyzing compositional data. Nevertheless, the use of this methodology is only possible for those data sets without null values. Consequently, in those data sets where the zeros are present, a previous treatment becomes necessary. Last advances in the treatment of compositional zeros have been centered especially in the zeros of structural nature and in the rounded zeros. These tools do not contemplate the particular case of count compositional data sets with null values. In this work we deal with \count zeros" and we introduce a treatment based on a mixed Bayesian-multiplicative estimation. We use the Dirichlet probability distribution as a prior and we estimate the posterior probabilities. Then we apply a multiplicative modi¯cation for the non-zero values. We present a case study where this new methodology is applied. Key words: count data, multiplicative replacement, composition, log-ratio analysis

Conditional compositional biplots: theory and application

The biplot has proved to be a powerful descriptive and analytical tool in many areas of applications of statistics. For compositional data the necessary theoretical adaptation has been provided, with illustrative applications, by Aitchison (1990) and Aitchison and Greenacre (2002). These papers were restricted to the interpretation of simple compositional data sets. In many situations the problem has to be described in some form of conditional modelling. For example, in a clinical trial where interest is in how patients’ steroid metabolite compositions may change as a result of different treatment regimes, interest is in relating the compositions after treatment to the compositions before treatment and the nature of the treatments applied. To study this through a biplot technique requires the development of some form of conditional compositional biplot. This is the purpose of this paper. We choose as a motivating application an analysis of the 1992 US President ial Election, where interest may be in how the three-part composition, the percentage division among the three candidates - Bush, Clinton and Perot - of the presidential vote in each state, depends on the ethnic composition and on the urban-rural composition of the state. The methodology of conditional compositional biplots is first developed and a detailed interpretation of the 1992 US Presidential Election provided. We use a second application involving the conditional variability of tektite mineral compositions with respect to major oxide compositions to demonstrate some hazards of simplistic interpretation of biplots. Finally we conjecture on further possible applications of conditional compositional biplots

alr approach for replacing values below the detection limit

All of the imputation techniques usually applied for replacing values below the detection limit in compositional data sets have adverse effects on the variability. In this work we propose a modification of the EM algorithm that is applied using the additive log-ratio transformation. This new strategy is applied to a compositional data set and the results are compared with the usual imputation techniques

News from compositions, the R package

The R-package “compositions”is a tool for advanced compositional analysis. Its basic functionality has seen some conceptual improvement, containing now some facilities to work with and represent ilr bases built from balances, and an elaborated subsys- tem for dealing with several kinds of irregular data: (rounded or structural) zeroes, incomplete observations and outliers. The general approach to these irregularities is based on subcompositions: for an irregular datum, one can distinguish a “regular” sub- composition (where all parts are actually observed and the datum behaves typically) and a “problematic” subcomposition (with those unobserved, zero or rounded parts, or else where the datum shows an erratic or atypical behaviour). Systematic classification schemes are proposed for both outliers and missing values (including zeros) focusing on the nature of irregularities in the datum subcomposition(s). To compute statistics with values missing at random and structural zeros, a projection approach is implemented: a given datum contributes to the estimation of the desired parameters only on the subcompositon where it was observed. For data sets with values below the detection limit, two different approaches are provided: the well-known imputation technique, and also the projection approach. To compute statistics in the presence of outliers, robust statistics are adapted to the characteristics of compositional data, based on the minimum covariance determinant approach. The outlier classification is based on four different models of outlier occur- rence and Monte-Carlo-based tests for their characterization. Furthermore the package provides special plots helping to understand the nature of outliers in the dataset. Keywords: coda-dendrogram, lost values, MAR, missing data, MCD estimator, robustness, rounded zeros

Scene Classification Using a Hybrid Generative/Discriminative Approach

We investigate whether dimensionality reduction using a latent generative model is beneficial for the task of weakly supervised scene classification. In detail, we are given a set of labeled images of scenes (for example, coast, forest, city, river, etc.), and our objective is to classify a new image into one of these categories. Our approach consists of first discovering latent ";topics"; using probabilistic Latent Semantic Analysis (pLSA), a generative model from the statistical text literature here applied to a bag of visual words representation for each image, and subsequently, training a multiway classifier on the topic distribution vector for each image. We compare this approach to that of representing each image by a bag of visual words vector directly and training a multiway classifier on these vectors. To this end, we introduce a novel vocabulary using dense color SIFT descriptors and then investigate the classification performance under changes in the size of the visual vocabulary, the number of latent topics learned, and the type of discriminative classifier used (k-nearest neighbor or SVM). We achieve superior classification performance to recent publications that have used a bag of visual word representation, in all cases, using the authors' own data sets and testing protocols. We also investigate the gain in adding spatial information. We show applications to image retrieval with relevance feedback and to scene classification in videos

A Novel Breast Tissue Density Classification Methodology

It has been shown that the accuracy of mammographic abnormality detection methods is strongly dependent on the breast tissue characteristics, where a dense breast drastically reduces detection sensitivity. In addition, breast tissue density is widely accepted to be an important risk indicator for the development of breast cancer. Here, we describe the development of an automatic breast tissue classification methodology, which can be summarized in a number of distinct steps: 1) the segmentation of the breast area into fatty versus dense mammographic tissue; 2) the extraction of morphological and texture features from the segmented breast areas; and 3) the use of a Bayesian combination of a number of classifiers. The evaluation, based on a large number of cases from two different mammographic data sets, shows a strong correlation ( and 0.67 for the two data sets) between automatic and expert-based Breast Imaging Reporting and Data System mammographic density assessment

Image classification for a large number of object categories

L'increment de bases de dades que cada vegada contenen imatges més difícils i amb un nombre més elevat de categories, està forçant el desenvolupament de tècniques de representació d'imatges que siguin discriminatives quan es vol treballar amb múltiples classes i d'algorismes que siguin eficients en l'aprenentatge i classificació. Aquesta tesi explora el problema de classificar les imatges segons l'objecte que contenen quan es disposa d'un gran nombre de categories. Primerament s'investiga com un sistema híbrid format per un model generatiu i un model discriminatiu pot beneficiar la tasca de classificació d'imatges on el nivell d'anotació humà sigui mínim. Per aquesta tasca introduïm un nou vocabulari utilitzant una representació densa de descriptors color-SIFT, i desprès s'investiga com els diferents paràmetres afecten la classificació final. Tot seguit es proposa un mètode par tal d'incorporar informació espacial amb el sistema híbrid, mostrant que la informació de context es de gran ajuda per la classificació d'imatges. Desprès introduïm un nou descriptor de forma que representa la imatge segons la seva forma local i la seva forma espacial, tot junt amb un kernel que incorpora aquesta informació espacial en forma piramidal. La forma es representada per un vector compacte obtenint un descriptor molt adequat per ésser utilitzat amb algorismes d'aprenentatge amb kernels. Els experiments realitzats postren que aquesta informació de forma te uns resultats semblants (i a vegades millors) als descriptors basats en aparença. També s'investiga com diferents característiques es poden combinar per ésser utilitzades en la classificació d'imatges i es mostra com el descriptor de forma proposat juntament amb un descriptor d'aparença millora substancialment la classificació. Finalment es descriu un algoritme que detecta les regions d'interès automàticament durant l'entrenament i la classificació. Això proporciona un mètode per inhibir el fons de la imatge i afegeix invariança a la posició dels objectes dins les imatges. S'ensenya que la forma i l'aparença sobre aquesta regió d'interès i utilitzant els classificadors random forests millora la classificació i el temps computacional. Es comparen els postres resultats amb resultats de la literatura utilitzant les mateixes bases de dades que els autors Aixa com els mateixos protocols d'aprenentatge i classificació. Es veu com totes les innovacions introduïdes incrementen la classificació final de les imatges.