Journal ArticleDOI
Standard error of prediction in parallel factor analysis of three-way data
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TLDR
In this article, a simple approach is described to calculate sample-specific standard errors for the concentrations predicted by a three-way parallel factor (PARAFAC) analysis model, which involves a first-order error propagation equation in which the correct sensitivity and leverage values are introduced.About:
This article is published in Chemometrics and Intelligent Laboratory Systems.The article was published on 2004-01-28. It has received 73 citations till now. The article focuses on the topics: Monte Carlo molecular modeling & Hybrid Monte Carlo.read more
Citations
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BookDOI
Practical Guide To Chemometrics
TL;DR: Gemperline and Walmsley as mentioned in this paper introduced the concept of robust calibration and showed that robust calibration can be used for pattern recognition and classifying patterns in Chemometrics.
Journal ArticleDOI
Analytical figures of merit: from univariate to multiway calibration.
TL;DR: This poster presents a probabilistic model of the response of the immune system to the presence of infectious disease and its effects on the immune systems of animals and humans.
Journal ArticleDOI
Good practices in LIBS analysis: Review and advices
TL;DR: In this article, a review on the analytical results obtained by laser-induced breakdown spectroscopy (LIBS) is presented, including the risk of misclassification, and results on concentration measurement based on calibration are accompanied with significant figures of merit including the concept of accuracy.
Journal ArticleDOI
MVC3: A MATLAB graphical interface toolbox for third-order multivariate calibration
TL;DR: A new MATLAB graphical interface toolbox for implementing third-order multivariate calibration methodologies is discussed, and quadrilinear decomposition techniques and latent structured models based on partial least-squares regression and residual trilinearization are included.
Journal ArticleDOI
Analytical advantages of multivariate data processing. One, two, three, infinity?
TL;DR: In this article, the authors describe the advantages of the first-order advantage for vector sample data, which allows to flag new samples which cannot be adequately modeled with the current calibration set.
References
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Journal ArticleDOI
A Leisurely Look at the Bootstrap, the Jackknife, and Cross-Validation
Bradley Efron,Gail Gong +1 more
TL;DR: This paper reviewed the nonparametric estimation of statistical error, mainly the bias and standard error of an estimator, or the error rate of a prediction rule, at a relaxed mathematical level, omitting most proofs, regularity conditions and technical details.
Journal ArticleDOI
PARAFAC. Tutorial and applications
TL;DR: The multi-way decomposition method PARAFAC is a generalization of PCA to higher order arrays, but some of the characteristics of the method are quite different from the ordinary two-way case.
Journal ArticleDOI
Generalized Inverse of Matrices and Its Applications
TL;DR: In this article, the generalized inverse of matrices and its applications are discussed and discussed in terms of generalized inverse of matrix and its application in the context of generalization of matrix matrices.
Journal ArticleDOI
The N-way Toolbox for MATLAB
Claus A. Andersson,Rasmus Bro +1 more
TL;DR: This communication is by no means an attempt to summarize or review the extensive work done in multiway data analysis but is intended solely for informing the reader of the existence, functionality, and applicability of the N-way Toolbox for MATLAB.
Book
Instrumental methods of chemical analysis
TL;DR: In this article, the authors present a course to make the student understand the advanced instrumentation available for chemical analysis, and the student would be able to choose the instrument needed for analysis.
Related Papers (5)
An alternating trilinear decomposition algorithm with application to calibration of HPLC–DAD for simultaneous determination of overlapped chlorinated aromatic hydrocarbons
A new efficient method for determining the number of components in PARAFAC models
Rasmus Bro,Henk A.L. Kiers +1 more