Proceedings of the 4th International Workshop on Compositional Data Analysis

Held in Sant Feliu de Guíxols, Spain, 1-5 June 2011

A publication of:
International Center for Numerical Methods in Engineering (CIMNE) Barcelona, Spain

J.J. Egozcue; R. Tolosana- Delgado; M.I. Ortego (Eds.)

© The authors

Sumari

  • Evidence information in Bayesian updating 

    Egozcue Rubí, Juan José; Pawlowsky Glahn, Vera (2011-06)
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    Bayes theorem (discrete case) is taken as a paradigm of information acquisition. As men-tioned by Aitchison, Bayes formula can be identified with perturbation of a prior probability vector and a discrete likelihood function, ...
  • Classical and robust imputation of missing values for compositional data using balances 

    Hron, K.; Templ, M.; Filzmoser, P. (2011)
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  • Modeling composition of Ca-Fe-Mg carbonates in a natural CO2 reservoir 

    Bicocchi, G.; Montegrossi, G.; Ruggieri, G.; Buccianti, A.; Vaselli, O. (2011)
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    Understanding the physical-chemical features of liquid, gas and solid phases in natural analogue reservoirs of Carbon Capture and Sequestration (CCS) site is fundamental as they can provide key data for building up both ...
  • Source apportionment of atmospheric trace gases and particulate matter: comparison of log-ratio and traditional approaches 

    Engle, M.A.; Martín Fernández, J.A.; Geboy, N.J.; Olea, R.A.; Peucker Ehrenbrink, B.; Kolder, A.; Krabbenhoft, D.P.; Lamothe, P.J.; Bothner, M.H.; Tate, M.T. (2011)
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    In this paper we compare multivariate methods using both traditional approaches, which ignore issues of closure and provide relatively simple methods to deal with censored or missing data, and log-ratio methods to determine ...
  • Fractal and compositional analysis of soil aggregation 

    Parent, Leon Etienne; Parent, Serge-Etienne; Kätterer, Thomas; Egozcue Rubí, Juan José (2011)
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    A soil aggregate is made of closely packed sand, silt, clay, and organic particles building up soil structure. Soil aggregation is a soil quality index integrating the chemical, physical, and biological processes ...
  • Compositional meta-analysis of citrus varieties in the state of São Paulo, Brazil 

    Rozane, Danilo Eduardo; De Mattos Junior, Dirceu; Parent, Serge-Etienne; Natale, William; Parent, Leon Etienne (2011)
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    Brazil is the largest orange (Citrus sinensis) producer worldwide. The nutrient management of orange orchards is designed from experiments on a limited number of varieties. This knowledge is transferred to other varieties ...
  • Compositional meta-analysis of the nutrient profile of potato cultivars 

    Hernandes, Amanda; Parent, Serge-Etienne; Veillette, Jean-Pierre; Parent, Philippe; Leblanc, Michaël; Roy, Guy; Sylvestre, Philippe; Samson, Nicolas; Natale, William; Parent, Leon Etienne (2011)
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    While several potato (Solanum tuberosum L.) cultivars of different maturity groups (e.g. early, mid-season, late) are being selected each year as a result of successful breeding for disease resistance and market requirements, ...
  • A data-based power transformation for compositional data 

    Tsagris, Michail T.; Preston, Simon; Wood, Andrew T.A. (2011)
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    A compositional data vector is a special type of multivariate observation in which the elements of the vector are non-negative and sum to a constant, usually taken to be unity. Data of this type arise in many elds ...
  • Multivariate association of compositional data matrices with applications in comparing hyperspectral images 

    Cuadras, C.M.; Valero, S. (2011)
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    It is well-known in image processing that, by varying the wavelength, any material reflects and absorbs in a different way the solar radiation. This is registered by hyperspectral sensors, which collect multivariate ...
  • Ordinary cokriging of additive log-ratios for estimating grades in iron ore deposits 

    Boezio, M.N.M.; Costa, J.F.C.L.; Koppe, J.C. (2011)
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    Risk assessment and economic evaluation of mining projects are mainly affected by the determination of grades and tonnages. In the case of iron ore, multiple variables must be determined for ore characterization which ...
  • Tests for identifying the unchanging reference component of compositional data using the properties of the coefficient of variation 

    Ohta, T.; Arai, H.; Noda, A. (2011)
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    In analyses of compositional data, it is important to select a suitable unchanging component as a reference to detect the behavior of a single variable in isolation. This paper introduces two tests for detecting the unchanging ...
  • An EM-algorithm based method to deal with rounded zeros in compositional data under Dirichlet models 

    Hijazi, Rafiq (2011)
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    Zeros in compositional data are classified into “rounded” zeros and “essential” zeros. The rounded zero corresponds to a small proportion or below detection limit value while the essential zero is an indication of the ...
  • Interpretation of orthonormal coordinates in case of three-part compositions applied to orthogonal regression for compositional data. 

    Donevska, S.; Fiserová, E.; Hron, K. (2011)
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    Orthonormal coordinates are very important tool for compositional data processing using standard statistical methods. Namely, in order to express a D-part composition in the Euclidean real space we use isometric log-ratio ...
  • Graphing and communicating compositional data in high dimensions 

    Ulbrich, H.-F. (2011)
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    Visualization of data becomes more challenging as the dimensionality of the data increases, impacting not only the display of the data itself but also the modeling results. This paper discusses common visualization ...
  • Analysis of compositional data using robust methods. The R-package robCompositons 

    Templ, M.; Filzmoser, P.; Hron, K. (2011)
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    The free and open-source programming language and software environment R (R Development Core Team, 2010) is currently both, the most widely used and most popular software for statistics and data analysis. In addition, R ...
  • Statistical modelling of compositional problems involving finite probability distributions 

    Aitchison, John (2011)
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    Finite probability distributions and compositional data are mathematically similar, consisting of D-dimensional positive vectors with sum 1. Despite this similarity the meaningful forms of analysis in these different ...
  • Two more things about compositional biplots: quality of projection and inclusion of supplementary elements 

    Daunis i Estadella, J.; Thió Henestrosa, S.; Figueras, Mateu (2011)
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    The biplot is a widely and powerful methodology used with multidimensional data sets to describe and display the relationships between observations and variables in an easy way. Compositional data consist of positive ...
  • Geochemistry versus grain-size relations of sediments in the light of comminution, chemical alteration, and contrasting source rocks 

    Von Eynatten, H.; Tolosana Delgado, Raimon (2011)
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    Around 170 sediment samples from glacial and proximal glacio-fluvial deposits have been analysed for their geochemical composition. Samples derive from two strongly contrasting source areas (granitoids vs. amphibolite) ...
  • The shifted-scaled Dirichlet distribution in the simplex 

    Monti, G.S.; Mateu Figueras, G.; Pawlowsky Glahn, Vera; Egozcue Rubí, Juan José (2011)
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    Perturbation and powering are two operations in the simplex that define a vector-space structure. Perturbation and powering in the simplex play the same role as the sum and product by scalars in real space. A standard ...
  • Compositional analysis of correlation of weather parameters with russet of 'golden delicious' apples 

    Barceló Vidal, C.; Bonany, J.; Carbó, J. (2011)
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    The development of russet on 'Golden Delicious' apples is a problem of concern to growers of fresh market apples. Russeting is considered to be due to untimely divisions of cells in the epidermis of the fruit initiated ...
  • Pluviometric regionalization of Catalunya: a compositional data methodology 

    Gibergans Bàguena, José; Ortego Martínez, María Isabel; Tolosana Delgado, Raimon (2011)
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    The aim of this paper is to introduce a methodology for de¯ning groups from regionalized com- positional data, through a hierarchical clustering algorithm aware of both the spatial dependence and the compositional character ...
  • Properties of a square root transformation regression model 

    Scealy, J. L.; Welsh, A. H. (2011)
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    We consider the problem of modelling the conditional distribution of a response given a vector of covariates x when the response is a compositional data vector u. That is, u is defined on the unit simplex [...] This ...
  • Compositional loess modeling 

    Bergman, J.; Holmquist, B. (2011)
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    Cleveland (1979) is usually credited with the introduction of the locally weighted regression, Loess. The concept was further developed by Cleveland and Devlin (1988). The general idea is that for an arbitrary number of ...
  • Measuring subcompositional incoherence 

    Greenacre, Michael (2011)
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    Subcompositional coherence is a fundamental property of Aitchison’s approach to compositional data analysis, and is the principal justification for using ratios of components. For dimension reduction of a matrix of ...
  • CoDaPack 2.0: a stand-alone, multi-platform compositional software 

    Comas, M.; Thió Fernández de Henestrosa, Santiago (2011)
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    Historically CoDaPack 3D has intended to be a software of Compositional Data with an easy and intuitive way of use. For this reason from the beginning it has been associated to Excel, a software known and used for many ...
  • Exploratory data analysis for fatty acid composition in pig meat 

    Ros, R.; Reixach, J.; Tor, M.; Estany, J. (2011)
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    Fat content and composition are determinant factors affecting pork production and meat quality (Wood et al., 2003). Fat composition is commonly presented as the percentage of each individual fatty acid relative to total ...
  • A compositional genetic analysis of oleic acid content in pig meat 

    Estany, J.; Ros, R.; Tor, M.; Reixach, J. (2011)
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    Intramuscular fat (IMF) content and composition, particularly the oleic fatty acid content (OL), are major quality characteristics of pork fresh and dry-cured products. They are known to be related to nutritional, ...
  • Analysis of fossil planktonic foraminifera: the sieve mesh effect 

    Di Donato, V.; Martín Fernández, J.A.; Daunis i Estadella, J.; Esposito, P. (2011)
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    The choice of the sediment size fraction in the analysis of fossil planktonic foraminifera is of great importance in determining the composition of assemblages. In past studies several size fractions have been utilised. ...
  • Orthogonal regression for three-part compositional data via linear model with type-II constraints 

    Fiserová, E.; Hron, K. (2011)
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    Orthogonal regression is a proper tool for fitting two-dimensional data points when errors occur in both the variables. This type of modelling technique is also called the total least squares (TLS) in the statistical ...
  • The stoichiometry of mineral compositions 

    Grunsky, E.C.; Bacon Shone, J. (2011)
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    Previous work by John Aitchison (1999) showed how log-ratio compositional data analysis can illuminate the relationships between components of a composition based on mineral constituents, However, his analysis was framed ...
  • Practical aspects of compositional data analysis using regional geochemical survey data 

    Grunsky, E.C. (2011)
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    Government geological surveys and mineral exploration companies collect large amounts of geochemical data, which are used in search for mineral commodities or for determining environmental disturbances. These surveys ...
  • Use of survey weights for the analysis of compositional data: some simulation results 

    Graf, Monique (2011)
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    The compositional space can be seen as a vector space, where the vector addition corresponds to perturbation and the multiplication by a scalar corresponds to powering (Aitchison, 1986; PawlowskyGlahn and Egozcue, 2001). ...
  • Testing water pollution in a two layer aquifer 

    García León, Manuel; Lin Ye, Jue (2011)
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    Water bodies around urban areas may be polluted with chemical elements from urban or industrial activities. We study the case of underground water pollution. This is a serious problem, since underground water is high ...
  • Compositional classes and diversity in archaeological ceramic studies 

    Buxeda i Garrigós, J. (2011)
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    Archaeological studies are based, at a large extent, on the study of the materials that form the different unearthed assemblages. Thus, ceramic assemblages are defined by their compositions, i.e. how many pots of different ...
  • Morphometrics and compositional classes. The stuy of anthropomorphic sculptures from Teotihuacan (México) 

    Buxeda i Garrigós, J.; Villalonga Gordaliza, A. (2011)
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    Morphometry is defined as the measurement of the external and perceptible characteristics, i.e., in a first approximation, of the shape or morphology of an object. It includes information related to the object’s appearance ...
  • Examining indices of individual-level resource specialization 

    Martín Fernández, J.A.; Pierotti, M.E.; Barceló Vidal, C. (2011)
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    The variety of resources that a population exploits is known as the “niche width”. A particular population has a narrow niche if only few kinds of the available resources are exploited by its members. When the individuals ...
  • Three-way compositional data analysis 

    Gallo, M. (2011)
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    For the exploratory analysis of three-way data, e.g., measurements of a number of objects, on a number of variables at different points in time, Tucker analysis is one of the most applied technique to study three-way ...
  • Compositional random data: a routine for CoDaPack 

    Comas Cufí, Marc; Mateu Figueras, G.; Thió Fernández de Henestrosa, Santiago (2011)
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    Generation of random variables are needed in the simulations of many natural process. For some random variables, di erent methodologies are known, specially into euclidean spaces. In this paper a routine for dealing with ...
  • The compositional meaning of a detection limit 

    Gerald van den Boogaart, K.; Tolosana Delgado, Raimon; Bren, Matevz (2011)
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    In compositional data analysis a value below detection limit (BDL) is typically modeled as the definitive information that the actual value is below some fixed value - the detection limit (see e.g. Palarea- Albaladejo ...
  • Could CODA methodology be useful in control chart techniques? 

    Vives Mestres, M.; Daunis i Estadella, J.; Martín Fernández, J.A. (2011)
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    On standard control charts, the hypothesis of normality is usually assumed without any additional veri cation. Nevertheless, in some cases this assumption is not accurate and might cause errors in process quality monitoring. ...
  • Compositional data analysis as a potential tool to study the (paleo)ecology of calcareous nannoplankton from the central portuguese submarine canyons (W off Portugal) 

    Guerreiro, C.; Cachão, M.; Stigter, De; Oliveira, H.; Rodrigues, A. (2011)
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    Submarine canyons are deep and steep incisions on the continental margins. The physical forcing mechanisms linked with these marine systems, such as the enhancement of upwelling and bottom sediment resuspension, are ...
  • Modelling cohort seasonal mortality e ects in a compositional framework 

    Oeppen, Jim (2011)
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    In the late 20th century, the average age at death for Danes and Austrians aged 50 or above and born in the Spring was approximately 6 months older than those born in the Autumn (Doblhammer and Vaupel, 2001). The pattern ...
  • Application of compositional models for glycan HILIC data 

    Galligan, Marie; Campbell, Matthew P.; Saldova, Radka; Rudd, Pauline M.; Brendan Murphy, Thomas (2011)
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    Glycoconjugates constitute a major class of biomolecules which include glycoproteins, glycosphingolipids and proteoglycans. The enzymatic process in which glycans (sugar chains) are linked to proteins or lipids is called ...
  • Phytoplankton composition in shallow water ecosystems: influence of environmental gradients and nutrient availability 

    López Flores, R.; Romaní, A.M.; Quintana, X.D. (2011)
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    Environmental gradients caused by hydrological changes, whether natural or maninduced, affect the planktonic taxonomic and functional composition in shallow water ecosystems. In this sense, our aim was to find out the ...
  • Statistical inference for Hardy-Weinberg equilibrium using log-ratio coordinates 

    Graffelman, Jan (2011)
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    Testing markers for Hardy-Weinberg equilibrium (HWE) is an important step in the analysis of large databases used in genetic association studies. Gross deviation from HWE can be indicative of genotyping error. There are ...
  • Approaching predator-prey Lotka-Volterra equations by simplicial linear differential equations 

    Jarauta Bragulat, Eusebio; Egozcue Rubí, Juan José (2011)
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    Predator-prey Lotka-Volterra equations was one of the rst models reflecting interaction of different species and modeling evolution of respective populations. It considers a large population of hares (preys) which is ...
  • Principal balances 

    Pawlowsky Glahn, Vera; Egozcue Rubí, Juan José; Tolosana Delgado, Raimon (2011)
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    Principal balances are de ned as a sequence of orthonormal balances which maximize successively the explained variance in a data set. Apparently, computing principal balances requires an exhaustive search along all ...
  • Unmixing compositional data with Bayesian techniques 

    Tolosana Delgado, Raimon (2011)
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    A general problem in compositional data analysis is the unmixing of a composition into a series of pure endmembers. In its most complex version, one does neither know the composition of these endmembers, nor their relative ...
  • Compositional analysis of phosphorus pools in Canadian Mollisols 

    Abdi, D.; Ziadi, N.; Parent, L-É. (2011)
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    During cultivation, the internal phosphorus cycle of Mollisols (Chernozems) of the Canadian Prairies is perturbed by crop sequences including wheat phases, tillage practices, and regular applications of fertilizers. To ...
  • Compositions and fuzzy compositions in decision-making models 

    Talasova, J.; Pavlacka, O. (2011)
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    In decision-making models, the compositions (Aitchison, 1986) are employed in various forms. They can represent the normalized weights of criteria in multiple-criteria decision-making models, or the probabilities of ...
  • Compositional data analysis with Red-R 

    Parent, Serge-Etienne; Covington, Kyle R. (2011)
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    The compositional analyst must use a series of software to transform raw compositional data and run statistical analyses on them. Tools for compositional data analysis are available in R, an open source widely-used ...
  • Self-consistent modelling of Mercury’s surface composition and exosphere by solar wind sputtering 

    Lammer, H.; Pleger, M.; Wurz, P.; Martín Fernández, J.A.; Lichtenegger, H.I.M.; Khodachenko, M. L. (2011)
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    A Monte-Carlo model of exospheres was extended by treating the solar wind ion induced sputtering process, quantitatively in a self-consistent way starting with the actual release of particles from the mineral surface of ...
  • Compositional data, bayesian inference and the modeling process 

    Bacon-Shone, J. (2011)
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    Statistical modeling in practice encompasses both the exploratory process, which is an inductive scientific approach and the confirmatory modeling process, which uses the deductive scientific approach. This paper will ...
  • Robust compositional data analysis 

    Filzmoser, P.; Hron, K.; Templ, M. (2011)
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    Many practical data sets contain outliers or other forms of data inhomogeneities. Robust statistics offers concepts how to deal with these situations where the data do not follow strict model assumptions. These concepts ...