Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/33064
Title: Approximate Repeated Administration Models for Pharmacometrics
Authors: NEMETH, Balazs 
HABER, Tom 
LIESENBORGS, Jori 
LAMOTTE, Wim 
Issue Date: 2019
Publisher: SPRINGER INTERNATIONAL PUBLISHING AG
Source: Rodrigues, João M. F.; Cardoso, Pedro J. S.; Monteiro, Jânio; Lam, Roberto; Lees, Michael H.; Dongarra, Jack J.; Sloot, Peter M.A. (Ed.). Computational Science – ICCS 2019 19th International Conference, Faro, Portugal, June 12–14, 2019, Proceedings, Part I, SPRINGER INTERNATIONAL PUBLISHING AG, p. 628 -641
Series/Report: Lecture Notes in Computer Science
Series/Report no.: 11536
Abstract: Improving performance through parallelization, while a common approach to reduce running-times in high-performance computing applications, is only part of the story. At some point, all available parallelism is exploited and performance improvements need to be sought elsewhere. As part of drug development trials, a compound is periodically administered, and the interactions between it and the human body are modeled through pharmacokinetics and pharmacodynamics by a set of ordinary differential equations. Numerical integration of these equations is the most computationally intensive part of the fitting process. For this task, parallelism brings little benefit. This paper describes how to exploit the nearly periodic nature of repeated administration models by numerical application of the method of averaging on the one hand and reusing previous computational effort on the other hand. The presented method can be applied on top of any existing integrator while requiring only a single tunable threshold parameter. Performance improvements and approximation error are studied on two pharmacometrics models. In addition, automated tuning of the threshold parameter is demonstrated in two scenarios. Up to 1.7-fold and 70-fold improvements are measured with the presented method for the two models respectively.
Notes: Nemeth, B (corresponding author), Hasselt Univ, tUL, Expertise Ctr Digital Media, Wetenschapspk 2, B-3590 Diepenbeek, Belgium.
balazs.nemeth@uhasselt.be; tom.haber@uhasselt.be;
jori.liesenborgs@uhasselt.be; wim.lamotte@uhasselt.be
Other: Nemeth, B (corresponding author), Hasselt Univ, tUL, Expertise Ctr Digital Media, Wetenschapspk 2, B-3590 Diepenbeek, Belgium. balazs.nemeth@uhasselt.be; tom.haber@uhasselt.be; jori.liesenborgs@uhasselt.be; wim.lamotte@uhasselt.be
Keywords: Pharmacometrics;Monte Carlo sampling;Hamiltonian Monte Carlo;High-performance computing;Hierarchical models;Approximation;Importance sampling
Document URI: http://hdl.handle.net/1942/33064
ISBN: 9783030227340
ISSN: 0302-9743
DOI: 10.1007/978-3-030-22734-0_46
ISI #: WOS:000589288200046
Category: C1
Type: Proceedings Paper
Validations: ecoom 2021
vabb 2022
Appears in Collections:Research publications

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