Startseite Optimizing threshold-schedules for sequential approximate Bayesian computation: applications to molecular systems
Artikel
Lizenziert
Nicht lizenziert Erfordert eine Authentifizierung

Optimizing threshold-schedules for sequential approximate Bayesian computation: applications to molecular systems

  • Daniel Silk , Sarah Filippi und Michael P. H. Stumpf EMAIL logo
Veröffentlicht/Copyright: 7. September 2013

Abstract

The likelihood–free sequential Approximate Bayesian Computation (ABC) algorithms are increasingly popular inference tools for complex biological models. Such algorithms proceed by constructing a succession of probability distributions over the parameter space conditional upon the simulated data lying in an ε–ball around the observed data, for decreasing values of the threshold ε. While in theory, the distributions (starting from a suitably defined prior) will converge towards the unknown posterior as ε tends to zero, the exact sequence of thresholds can impact upon the computational efficiency and success of a particular application. In particular, we show here that the current preferred method of choosing thresholds as a pre-determined quantile of the distances between simulated and observed data from the previous population, can lead to the inferred posterior distribution being very different to the true posterior. Threshold selection thus remains an important challenge. Here we propose that the threshold–acceptance rate curve may be used to determine threshold schedules that avoid local optima, while balancing the need to minimise the threshold with computational efficiency. Furthermore, we provide an algorithm based upon the unscented transform, that enables the threshold–acceptance rate curve to be efficiently predicted in the case of deterministic and stochastic state space models.


Corresponding author: Michael P.H. Stumpf, Centre for Integrative Systems Biology at Imperial College London, UK, e-mail:

We thank Oliver Ratmann for stimulating discussions on the use of the presented method with different ABC schemes, and we are grateful for the helpful comments received from two anonymous referees. DS is supported by BBSRC grant BB/K003909/1; SF is funded through an MRC Computational Biology Research Fellowship; MPHS is a Royal Society Wolfson Merit Award holder.

References

Barnes, C., S. Filippi, M. P. H. Stumpf and T. Thorne (2012): “Considerate approaches to achieving sufficiency for ABC model selection,” Stat. Comput., 22, 1181–1197.Suche in Google Scholar

Beaumont, M. A., J. M. Cornuet, J. M. Marin and C. P. Robert (2009): “Adaptive approximate Bayesian computation,” Biometrika, 96, 983–990.10.1093/biomet/asp052Suche in Google Scholar

Blum, M. G. B. and O. Françcois (2010): “Non-linear regression models for Approximate Bayesian Computation,” Stat. Comput., 20, 63–73.Suche in Google Scholar

Briers, M., A. Doucet and S. Maskell (2010): “Smoothing algorithms for state-space models,” Ann. Inst. Stat. Math., 62, 61–89.Suche in Google Scholar

Del Moral, P., A. Doucet and A. Jasra (2011): “An adaptive sequential Monte Carlo method for approximate Bayesian computation,” Stat. Comput., 22, 1009–1020.Suche in Google Scholar

Drovandi, C. C. and A. N. Pettitt (2011): “Estimation of parameters for macroparasite population evolution using approximate Bayesian computation,” Biometrics, 67, 225–233.10.1111/j.1541-0420.2010.01410.xSuche in Google Scholar PubMed

Elowitz, M. B. and S. Leibler (2000): “A synthetic oscillatory network of transcriptional regulators”, Nature, 403, 335–338.10.1038/35002125Suche in Google Scholar PubMed

Erguler, K. and M. P. H. Stumpf (2011): “Practical limits for reverse engineering of dynamical systems: a statistical analysis of sensitivity and parameter inferability in systems biology models,“ Mol. BioSystems, 7, 1593–1602.10.1039/c0mb00107dSuche in Google Scholar PubMed

Fagundes, N., et al. (2007): “Statistical evaluation of alternative models of human evolution,” Proc. Natl. Acad. Sci., 104, 17614.Suche in Google Scholar

Fearnhead, P. and D. Prangle (2012): “Constructing summary statistics for approximate Bayesian computation: semi-automatic approximate Bayesian computation,” J. Roy. Stat. Soc. B (Statistical Methodology), 74, 419–474.10.1111/j.1467-9868.2011.01010.xSuche in Google Scholar

Filippi, S., C. Barnes, J. Cornebise and M. Stumpf (2013): “On optimality of kernels for approximate Bayesian computation using sequential Mnote Caril,“ Stat. Appl. Genet. Mol. Biol., 12, 87–107.Suche in Google Scholar

Giza, D., P. Singla and M. Jah (2009): An approach for nonlinear uncertainty propagation: Application to orbital mechanics. In: AIAA Guidance, Navigation, and Control Conference, Chicago, IL.10.2514/6.2009-6082Suche in Google Scholar

Gutenkunst, R., et al. (2007):“Universally sloppy parameter sensitivities in systems biology models,” PLos Comput. Biol., 3, 1871–1878.Suche in Google Scholar

Horenko, I. and M. Weiser (2003): “Adaptive integration of molecular dynamics,” J. Comput. Chem., 24, 1921–1929.Suche in Google Scholar

Joyce, P. and P. Marjoram (2008): “Approximately sufficient statistics and Bayesian computation,“ Stat. Appl. Genet. Mol. Biol., 7, Article26.Suche in Google Scholar

Julier, S. J. (1998): Skewed approach to filtering. In Aerospace/Defense Sensing and Controls 271–282. (International Society for Optics and Photonics).Suche in Google Scholar

Julier, S. (2002): The scaled unscented transformation. American Control Conference.10.1109/ACC.2002.1025369Suche in Google Scholar

Julier, S., J. Uhlmann and H. Durrant-Whyte (2000): “A new method for the nonlinear transformation of means and covariances in filters and estimators,” IEEE Trans. Automatic Control, 45, 477–482.10.1109/9.847726Suche in Google Scholar

Kirk, P., T. Toni and M. Stumpf (2008): “Parameter inference for biochemical systems that undergo a Hopf bifurcation,” Biophys. J., 95, 540–549.Suche in Google Scholar

Lenormand, M., F. Jabot and G. Deffuant (2011): “Adaptive approximate Bayesian computation for complex models,” arXiv preprint arXiv:1111.1308.Suche in Google Scholar

Liu, X. and M. Niranjan (2012): “State and parameter estimation of the heat shock response system using Kalman and particle filters,” Bioinformatics, 28, 1501–1507.10.1093/bioinformatics/bts161Suche in Google Scholar PubMed

Marjoram, P. and J. Molitor (2003): “Markov chain Monte Carlo without likelihoods,” Proc. Natl. Acad. Sci. USA, 100, 15324.10.1073/pnas.0306899100Suche in Google Scholar PubMed PubMed Central

Marjoram, P., J. Molitor, V. Plagnol and S. Tavaré (2003): “Markov chain Monte Carlo without likelihoods,” Proc. Natl. Acad. Sci., 100, 15324–15328.Suche in Google Scholar

Nunes, M. A. and D. J. Balding (2010): “On optimal selection of summary statistics for approximate Bayesian computation,” Stat. Appl. Genet. Mol. Biol., 9, 1.Suche in Google Scholar

Quach, M., N. Brunel and F. D’Alché-Buc (2007): “Estimating parameters and hidden variables in non-linear state-space models based on ODEs for biological networks inference,” Bioinformatics, 23, 3209–3216.10.1093/bioinformatics/btm510Suche in Google Scholar PubMed

Ratmann, O., et al. (2007): “Using likelihood-free inference to compare evolutionary dynamics of the protein networks of H. pylori and P. falciparum,” PLoS Comput. Biol., 3, e230.Suche in Google Scholar

Sisson, S. A., Y. Fan and M. M. Tanaka (2007): “Sequential Monte Carlo without likelihoods,” Proc. Natl. Acad. Sci. USA, 104, 1760–1765.10.1073/pnas.0607208104Suche in Google Scholar PubMed PubMed Central

Tallmon, D., G. Luikart and M. Beaumont (2004): “Comparative evaluation of a new effective population size estimator based on approximate Bayesian computation,” Genetics 167, 977–988.10.1534/genetics.103.026146Suche in Google Scholar PubMed PubMed Central

Tenne, D. and T. Singh (2003): The higher order unscented filter. In: American Control Conference, 2003. Proceedings of the 2003, vol. 3, 2441–2446 (IEEE, 2003).Suche in Google Scholar

Toni, T., D. Welch, N. Strelkowa, A. Ipsen and M. P. H. Stumpf (2009): “Approximate Bayesian computation scheme for parameter inference and model selection in dynamical systems,” J. Roy. Soc. Interf. Roy. Soc., 6, 187–202.Suche in Google Scholar

Wan, E. and R. van der Merwe (2000): “The unscented Kalman filter for nonlinear estimation.” Adaptive Systems for Signal Processing, Communications, and Control Symposium 2000. AS-SPCC. The IEEE 2000 153–158.Suche in Google Scholar

Weiße, A., I. Horenko and W. Huisinga (2006): “Adaptive approach for modelling variability in pharmacokinetics,” Comput. Life Sci. II, 194–204.Suche in Google Scholar

Wilhelm, T. and R. Heinrich (1995): “Smallest chemical reaction system with Hopf bifurcation,” J. Math. Chem., Springer, 17, 1–14.Suche in Google Scholar

Published Online: 2013-09-07
Published in Print: 2013-10-01

©2013 by Walter de Gruyter Berlin Boston

Heruntergeladen am 9.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/sagmb-2012-0043/html
Button zum nach oben scrollen