Search Results - "Brereton, Richard G."

Partial least squares discriminant analysis: taking the magic away by Brereton, Richard G., Lloyd, Gavin R.

“…Partial least squares discriminant analysis (PLS‐DA) has been available for nearly 20 years yet is poorly understood by most users. By simple examples, it is…”
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Ten years of Heritage Science by Brereton, Richard G

“…The article describes the revolutionary new ways of communicating the written word when moving from the Medieval to Modern period in Europe, primarily the use…”
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Partial least squares discriminant analysis for chemometrics and metabolomics: How scores, loadings, and weights differ according to two common algorithms by Brereton, Richard G., Lloyd, Gavin R.

“…Two common algorithms for partial least squares discriminant analysis developed by Wold (NIPALS) and by Martens are compared. Although their classification…”
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Re-evaluating the role of the Mahalanobis distance measure by Brereton, Richard G., Lloyd, Gavin R.

“…It is shown that the sum of squares of the standardised scores of all non‐zero principal components (PCs) equals the squared Mahalanobis distance. A new…”
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Individual and gender fingerprints in human body odour by Penn, Dustin J, Oberzaucher, Elisabeth, Grammer, Karl, Fischer, Gottfried, Soini, Helena A, Wiesler, Donald, Novotny, Milos V, Dixon, Sarah J, Xu, Yun, Brereton, Richard G

“…Individuals are thought to have their own distinctive scent, analogous to a signature or fingerprint. To test this idea, we collected axillary sweat, urine and…”
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Five years of Heritage Science: from aborigine cave paintings to the Domesday book and Bayeux tapestry and to Dorothy’s ruby red slippers via van Gogh’s colours, Magritte’s missing quarters, and Qing calligraphy, with the sights, sounds, smells and taste of the past by Brereton, Richard G.

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Support Vector Machines: A Recent Method for Classification in Chemometrics by Xu, Yun, Zomer, Simeone, Brereton, Richard G.

“…Support Vector Machines (SVMs) are a new generation of classification method. Derived from well principled Statistical Learning theory, this method attempts to…”
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Principal components analysis with several objects and variables by Brereton, Richard G.

“…This article shows how to interpret the scores and loadings based around a simulated dataset, consisting of two groups of 10 objects in each group, and 5…”
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Supervised Self Organizing Maps for Classification and Determination of Potentially Discriminatory Variables: Illustrated by Application to Nuclear Magnetic Resonance Metabolomic Profiling by Wongravee, Kanet, Lloyd, Gavin R, Silwood, Christopher J, Grootveld, Martin, Brereton, Richard G

“…The article describes the extension of the self organizing maps discrimination index (SOMDI) for cases where there are more than two classes and more than one…”
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The Mahalanobis distance and its relationship to principal component scores by Brereton, Richard G.

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Contingency tables, confusion matrices, classifiers and quality of prediction by Brereton, Richard G.

“…Contingency tables and confusion matrices are described; in addition, several methods for assessing the quality of classification models are introduced…”
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Graphical introduction to principal components analysis by Brereton, Richard G.

“…Principal components analysis is introduced graphically using a small 3 × 2 matrix, showing the relationship between the original dataset, scores and loadings…”
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Numerical introduction to principal components analysis by Brereton, Richard G.

“…Scores and loadings matrices are discussed including properties such as orthogonality and orthonormality and illustrated by a simple numerical example…”
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Introduction to statistical, algorithmic and theoretical basis of principal components analysis by Brereton, Richard G.

“…The difference between NIPALS and svd is discussed; the criteria for principal components based on maximum sum of squares and minimum residuals is described…”
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Introduction to residuals and estimation by principal components analysis by Brereton, Richard G.

“…Estimation of both models and individual objects together with their residuals using principal components are described graphically and numerically…”
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Alpha, beta, type 1 and 2 errors, Ergon Pearson and Jerzy Neyman by Brereton, Richard G.

“…The alternative hypothesis is introduced, and the ideas of type 1 errors and type 2 errors are described and illustrated using contingency tables and…”
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Introduction to Bayesian methods by Brereton, Richard G.

“…The concepts of Bayesian analysis are introduced by discussing a 2 × 2 confusion matrix with unequal sample sizes for each class…”
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False discovery rates, power and related concepts by Brereton, Richard G.

“…Following on from the definitions of Null and Alternative hypothesis, and number of definitions are described including the concept of False Discovery Rates,…”
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Multivariate classification models by Brereton, Richard G.

“…The concepts of p values and of confusion matrices are extended to multivariate classification problems using quadratic discriminant analysis and linear…”
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The use and misuse of p values and related concepts by Brereton, Richard G.

“…The paper describes historic origins of p values via the work of Fisher, and the competing approach by Neyman and Pearson. Concepts of type 1 and type 2…”
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