The geometry of multivariate object preprocessing
- 1 September 1993
- journal article
- research article
- Published by Wiley in Journal of Chemometrics
- Vol. 7 (5) , 393-425
- https://doi.org/10.1002/cem.1180070506
Abstract
The geometric properties of three common object‐preprocessing transformations (constant sum, or closure; constant length, or normalization; and maximum value, or ratioing) are investigated. An argument is made for using absolute values in the constant sum and maximum value transformations. In general, each transformation distorts the shape and dimensionality of patterns in the data: transformed data lie on (C‐1)‐dimensional surfaces in the original C‐dimensional space. A data set that has been closed by one of these transformations can be reopened if a vector containing the constant sums, constant lengths or maximum values of the original objects was retained. Transformed data sets may be freely interconverted among these three transformations without the loss of information.Keywords
This publication has 22 references indexed in Scilit:
- Recognition of chemical markers in chromatographic data by an individual feature approach to classification.Analytical Chemistry, 1992
- Classification of mass spectraJournal of Chemometrics, 1992
- The effect of mean centering on prediction in multivariate calibrationJournal of Chemometrics, 1992
- The relationship of closure, mean centering and matrix rank interpretationJournal of Chemometrics, 1992
- Estimation in compositional data analysisJournal of Chemometrics, 1991
- Bayesian statistical methods for use in mass spectral assignmentAnalytical Chemistry, 1983
- Effects of normalization on feature selection in pyrolysis gas chromatography of coal tar pitchesAnalytical Chemistry, 1981
- Effect of various transformations on the analysis of percentage dataMathematical Geology, 1981
- A Computer System for Structure-Activity Studies Using Chemical Structure Information Handling and Pattern Recognition TechniquesPublished by American Chemical Society (ACS) ,1977
- Methods of factor analysis of mass spectraAnalytical Chemistry, 1975