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Fast computation of cross-validated properties in full linear leave-many-out procedures

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Resum

A general theorem which allows the fast and direct computation of predicted properties in a full multiple linear leave-many-out procedure is demonstrated by induction. The result allows the description of a general algorithm which only requires a single multiple linear regression calculation. From the data generated by this fitting, in a full leave-n-out procedure involving a set of m objects, the resolution of (mn) linear systems of equations of dimension n × n suffices to obtain all the sets of cross-validated properties.

Idioma originalAnglès
Pàgines (de-a)191-204
Nombre de pàgines14
RevistaJournal of Mathematical Chemistry
Volum29
Número3
DOIs
Estat de la publicacióData de publicació - d’abr. 2001

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