Electron paramagnetic resonance, optimization and automatic differentiation

Livre Chapitre de livre Electron paramagnetic resonance, optimization and automatic differentiation eng 2002 author Soulié Edgar J. author Faure Cécile 684094 author Berclaz Théo 24770 author Geoffroy Michel 25153 99-106 10.1007/978-1-4613-0075-5_10 This chapter describes an optimization problem applied to electron paramagnetic resonance spectroscopy. Levenberg-Marquardt fails to converge using a divided differences Jacobian approximation in single precision, while it succeeds using Odyssée-generated forward mode Jacobian values. In double precision, the optimizer returns a smaller “minimum” objective function with AD compared to DD in 46% more CPU time. Dewey 540 Springer 38 Département de chimie physique 142 false 688 Groupe Geoffroy Automatic Differentiation of Algorithms 1fa55615-669c-4d0f-9433-754b3692e953 Book chapter Restricted article.pdf 309442 application/pdf restrictedAccess Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

Title	Published in	Access level	OA Policy	Year	Views	Downloads

Electron paramagnetic resonance, optimization and automatic differentiation	Automatic Differentiation of Algorithms			2002	721	2

Archive ouverte UNIGE

Faure, Cécile