Files:DescriptionFile size FormatBrowse
Fulltext0.68 MBPDF (requires Acrobat Reader)Previous | Next
  
Authors:Ralf Hannemann-Tamás: AVT, RWTH Aachen, Germany/MTA SZTAKI, Budapest, Hungary
Jana Tillack: IBG-1, Forschungszentrum Jülich, Germany/JARA - High-Performance Computing
Moritz Schmitz: AVT, RWTH Aachen, Germany
Michael Förster: STCE, RWTH Aachen, Germany
Jutta Wyes: AVT, RWTH Aachen, Germany
Katharina Nöh: IBG-1, Forschungszentrum Jülich, Germany/JARA - High-Performance Computing
Eric von Lieres: IBG-1, Forschungszentrum Jülich, Germany//JARA - High-Performance Computing
Uwe Naumann: STCE, RWTH Aachen, Germany
Wolfgang Wiechert: IBG-1, Forschungszentrum Jülich, Germany/JARA - High-Performance Computing
Wolfgang Marquardt: AVT, RWTH Aachen, Germany
Publication title:First- and second-order parameter sensitivities of a metabolically and isotopically non-stationary biochemical network model
Conference:Proceedings of the 9th International MODELICA Conference, September 3-5, 2012, Munich, Germany
Publication type: Abstract and Fulltext
Issue:076
Article No.:065
Abstract:The Jülich-Aachen Dynamic optimization Environment (JADE) is employed to compute first- and second-order parameter sensitivities of a metabolically and isotopically non-stationary biochemical network model. Based on a Modelica representation of the model, code generation, algorithmic differentiation and first- and second-order adjoint sensitivity analysis are employed to compute the gradient and the Hessian of a parameter estimation objective function. In particular, we use composite adjoints, an extension of the classical adjoint sensitivity analysis, and a numerical integrator based a modification of second-order discrete adjoints of the extrapolated linearly-implicit Euler method. Therewith, the 116-by-116-Hessian of the objective function with respect to 116 model parameters can be computed for computational costs equivalent to only less than 18 objective function evaluations, while the computation of the same Hessian by means of the cheapest finite-difference formula would require 6845 objective function evaluations.
Language:English
Keywords:biochemical network model, parameter sensitivities, automatic differentiation
Year:2012
No. of pages:8
Pages:641-648
ISBN:978-91-7519-826-2
Series:Linköping Electronic Conference Proceedings
ISSN (print):1650-3686
ISSN (online):1650-3740
File:http://www.ep.liu.se/ecp/076/065/ecp12076065.pdf
Available:2012-11-19
Publisher:Linköping University Electronic Press, Linköpings universitet

REFERENCE TO THIS PAGE
Ralf Hannemann-Tamás, Jana Tillack, Moritz Schmitz, Michael Förster, Jutta Wyes, Katharina Nöh, Eric von Lieres, Uwe Naumann, Wolfgang Wiechert, Wolfgang Marquardt (2012). First- and second-order parameter sensitivities of a metabolically and isotopically non-stationary biochemical network model, Proceedings of the 9th International MODELICA Conference, September 3-5, 2012, Munich, Germany http://dx.doi.org/10.3384/ecp12076641 (accessed 4/23/2014)