D-MORPH regression for modeling with fewer unknown parameters than observation data

D-MORPH regression is a procedure for the treatment of a model prescribed as a linear superposition of basis functions with less observation data than the number of expansion parameters. In this case, there is an infinite number of solutions exactly fitting the data. D-MORPH regression provides a pr...

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Veröffentlicht in:Journal of mathematical chemistry 2012-08, Vol.50 (7), p.1747-1764
Hauptverfasser: Li, Genyuan, Rey-de-Castro, Roberto, Rabitz, Herschel
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Sprache:eng
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Zusammenfassung:D-MORPH regression is a procedure for the treatment of a model prescribed as a linear superposition of basis functions with less observation data than the number of expansion parameters. In this case, there is an infinite number of solutions exactly fitting the data. D-MORPH regression provides a practical systematic means to search over the solutions seeking one with desired ancillary properties while preserving fitting accuracy. This paper extends D-MORPH regression to consider the common case where there is more observation data than unknown parameters. This situation is treated by utilizing a proper subset of the normal equation of least-squares regression to judiciously reduce the number of linear algebraic equations to be less than the number of unknown parameters, thereby permitting application of D-MORPH regression. As a result, no restrictions are placed on model complexity, and the model with the best prediction accuracy can be automatically and efficiently identified. Ignition data for a H 2 /air combustion model as well as laboratory data for quantum-control-mechanism identification are used to illustrate the method.
ISSN:0259-9791
1572-8897
DOI:10.1007/s10910-012-0004-z