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Chemometrics is the science of extracting information from chemical systems by data-driven means. Chemometrics is inherently interdisciplinary, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering.
Some validation methodologies can be problematic. For example, leave one-out cross-validation generally leads to an overestimation of predictive capacity. Even with external validation, it is difficult to determine whether the selection of training and test sets was manipulated to maximize the predictive capacity of the model being published.
Model selection is the task of selecting a model from among various candidates on the basis of performance criterion to choose the best one. [1] In the context of machine learning and more generally statistical analysis , this may be the selection of a statistical model from a set of candidate models, given data.
Partial least squares (PLS) regression is a statistical method that bears some relation to principal components regression and is a reduced rank regression [1]; instead of finding hyperplanes of maximum variance between the response and independent variables, it finds a linear regression model by projecting the predicted variables and the observable variables to a new space of maximum ...
The actual term BLUP originated out of work at the University of Guelph in Canada by Daniel Sorensen and Brian Kennedy, in which they extended Henderson's results to a model that includes several cycles of selection. [3] This model was popularized by the University of Guelph in the dairy industry under the name BLUP.
Principal component analysis (PCA) is a linear dimensionality reduction technique with applications in exploratory data analysis, visualization and data preprocessing.. The data is linearly transformed onto a new coordinate system such that the directions (principal components) capturing the largest variation in the data can be easily identified.
Model selection (2 C, 22 P) P. Population models (1 C, 17 P) Probabilistic models (3 C, 32 P) Probability distributions (12 C, 25 P) R. Regression models (5 C, 46 P) S.
Categorical distribution, general model; Chi-squared test; Cochran–Armitage test for trend; Cochran–Mantel–Haenszel statistics; Correspondence analysis; Cronbach's alpha; Diagnostic odds ratio; G-test; Generalized estimating equations; Generalized linear models; Krichevsky–Trofimov estimator; Kuder–Richardson Formula 20; Linear ...