Abstract
Classic non-intrusive uncertainty propagation techniques, typically, require a significant number of model evaluations in order to yield convergent statistics. In practice, however, the computational complexity of the underlying computer codes limits significantly the number of observations that one can actually make. In such situations the estimates produced by classic approaches cannot be trusted since the limited number of observations induces additional epistemic uncertainty. The goal of this chapter is to highlight how the Bayesian formalism can quantify this epistemic uncertainty and provide robust predictive intervals for the statistics of interest with as few simulations as one has available. It is shown how the Bayesian formalism can be materialized by employing the concept of a Gaussian process (GP). In addition, several practical aspects that depend on the nature of the underlying response surface, such as the treatment of spatiotemporal variation, and multi-output responses are discussed. The practicality of the approach is demonstrated by propagating uncertainty through a dynamical system and an elliptic partial differential equation.
References
Aarnes, J.E., Kippe, V., Lie, K.A., Rustad, A.B.: Modelling of multiscale structures in flow simulations for petroleum reservoirs. In: Hasle, G., Lie, K.A., Quak, E. (eds.): Geometric Modelling, Numerical Simulation, and Optimization, chap. 10, pp. 307–360. Springer, Berlin/Heidelberg (2007). doi:10.1007/978-3-540-68783-2_10
Alvarez, M., Lawrence, N.D.: Sparse convolved Gaussian processes for multi-output regression. In: Koller, D., Schuurmans, D., Bengio, Y., and Bottou. L. (eds.): Advances in Neural Information Processing Systems 21 (NIPS 2008), Vancouver, B.C., Canada (2008)
Alvarez, M., Luengo-Garcia, D., Titsias, M., Lawrence, N.: Efficient multioutput Gaussian processes through variational inducing kernels. In: Ft. Lauderdale, FL, USA (2011)
Babuska, I., Nobile, F., Tempone, R.: A stochastic collocation method for elliptic partial differential equations with random input data. SIAM J. Numer. Anal. 45(3), 1005–1034 (2007)
Betz, W., Papaioannou, I., Straub, D.: Numerical methods for the discretization of random fields by means of the Karhunen-Loeve expansion. Comput. Methods Appl. Mech. Eng. 271, 109–129 (2014). doi:10.1016/j.cma.2013.12.010
Bilionis, I.: py-orthpol: Construct orthogonal polynomials in python. https://github.com/PredictiveScienceLab/py-orthpol (2013)
Bilionis, I., Zabaras, N.: Multi-output local Gaussian process regression: applications to uncertainty quantification. J. Comput. Phys. 231(17), 5718–5746 (2012) doi:10.1016/J.Jcp.2012.04.047
Bilionis, I., Zabaras, N.: Multidimensional adaptive relevance vector machines for uncertainty quantification. SIAM J. Sci. Comput. 34(6), B881–B908 (2012). doi:10.1137/120861345
Bilionis, I., Zabaras, N.: Solution of inverse problems with limited forward solver evaluations: a Bayssian perspective. Inverse Probl. 30(1), Artn 015004 (2014). doi:10.1088/0266-5611/30/1/015004
Bilionis, I., Zabaras, N., Konomi, B.A., Lin, G.: Multi-output separable Gaussian process: towards an efficient, fully Bayesian paradigm for uncertainty quantification. J. Comput. Phys. 241, 212–239 (2013). doi:10.1016/J.Jcp.2013.01.011
Bilionis, I., Drewniak, B.A., Constantinescu, E.M.: Crop physiology calibration in the CLM. Geoscientific Model Dev. 8(4), 1071–1083 (2015). doi:10.5194/gmd-8-1071-2015, http://www.geosci-model-dev.net/8/1071/2015 http://www.geosci-model-dev.net/8/1071/2015/gmd-8-1071-2015.pdf, gMD http://www.geosci-model-dev.net/8/1071/2015/gmd-8-1071-2015.pdf
Bishop, C.M.: Pattern Recognition and Machine Learning. Information Science and Statistics. Springer, New York (2006)
Boyle, P., Frean, M.: Dependent Gaussian processes. In: Saul, L.K., Weiss, Y., and Bottou L. (eds.): Advances in Neural Information Processing Systems 17 (NIPS 2004), Whistler, B.C., Canada (2004)
Chen, P., Zabaras, N., Bilionis, I.: Uncertainty propagation using infinite mixture of Gaussian processes and variational Bayssian inference. J. Comput. Phys. 284, 291–333 (2015)
Conti, S., O’Hagan, A.: Bayesian emulation of complex multi-output and dynamic computer models. J. Stat. Plan. Inference 140(3), 640–651 (2010). doi:10.1016/J.Jspi.2009.08.006
Currin, C., Mitchell, T., Morris, M., Ylvisaker, D.: A Bayesian approach to the design and analysis of computer experiments. Report, Oak Ridge Laboratory (1988)
Currin, C., Mitchell, T., Morris, M., Ylvisaker, D.: Bayesian prediction of deterministic functions, with applications to the design and analysis of computer experiments. J. Am. Stat. Assoc. 86(416), 953–963 (1991). doi:10.2307/2290511
Dawid, A.P.: Some matrix-variate distribution theory – notational considerations and a Bayesian application. Biometrika 68(1), 265–274 (1981)
Del Moral, P., Doucet, A., Jasra, A.: Sequential Monte Carlo samplers. J. R. Stat. Soc. Ser. B. (Stat. Methodol.) 68(3), 411–436 (2006)
Delves, L.M., Walsh, J.E., of Manchester Department of Mathematics, U., of Computational LUD, Science, S.: Numerical Solution of Integral Equations. Clarendon Press, Oxford (1974)
Doucet, A., De Freitas, N., Gordon, N. (eds.): Sequential Monte Carlo Methods in Practice (Statistics for Engineering and Information Science). Springer, New York (2001)
Durrande, N., Ginsbourger, D., Roustant, O.: Additive covariance kernels for high-dimensional Gaussian process modeling. arXiv:11116233 (2011)
Duvenaud, D., Nickisch, H., Rasmussen, C.E.: Additive Gaussian processes. In: Advances in Neural Information Processing Systems, vol. 24, pp. 226–234 (2011)
Gautschi, W.: On generating orthogonal polynomials. SIAM J. Sci. Stat. Comput. 3(3), 289–317 (1982). doi:10.1137/0903018
Gautschi, W.: Algorithm-726 – ORTHPOL – a package of routines for generating orthogonal polynomials and Gauss-type quadrature rules. ACM Trans. Math. Softw. 20(1), 21–62 (1994) doi:10.1145/174603.174605
Ghanem, R., Spanos, P.D.: Stochastic Finite Elements: A Spectral Approach, rev. edn. Dover Publications, Minneola (2003)
Gramacy, R.B., Lee, H.K.H.: Cases for the nugget in modeling computer experiments. Stat. Comput. 22(3), 713–722 (2012) doi:10.1007/s11222-010-9224-x
Haff, L.: An identity for the Wishart distribution with applications. J. Multivar. Anal. 9(4), 531–544 (1979). doi:http://dx.doi.org/10.1016/0047-259X(79)90056-3
Hastings, W.K.: Monte-Carlo sampling methods using Markov chains and their applications. Biometrika 57(1), 97–109 (1970). doi:10.2307/2334940
Higdon, D., Gattiker, J., Williams, B., Rightley, M.: Computer model calibration using high-dimensional output. J. Am. Stat. Assoc. 103(482), 570–583 (2008)
Liu, J.S.: Monte Carlo Strategies in Scientific Computing. Springer Series in Statistics. Springer, New York (2001)
Loève, M.: Probability Theory, 4th edn. Graduate Texts in Mathematics. Springer, New York (1977)
Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E.: Equation of state calculations by fast computing machines. J. Chem. Phys. 21(6), 1087–1092 (1953). doi:10.1063/1.1699114
Oakley, J., O’Hagan, A.: Bayesian inference for the uncertainty distribution of computer model outputs. Biometrika 89(4), 769–784 (2002)
Oakley, J.E., O’Hagan, A.: Probabilistic sensitivity analysis of complex models: a Bayesian approach. J. R. Stat. Soc. Ser. B Stat. Methodol. 66, 751–769 (2004). doi:10.1111/j.1467-9868.2004.05304.x
O’Hagan, A.: Bayes-Hermite quadrature. J. Stat. Plan. Inference 29(3), 245–260 (1991)
O’Hagan, A., Kennedy, M.: Gaussian emulation machine for sensitivity analysis (GEM-SA) (2015). http://www.tonyohagan.co.uk/academic/GEM/
O’Hagan, A., Kennedy, M.C., Oakley, J.E.: Uncertainty analysis and other inference tools for complex computer codes. Bayesian Stat. 6, 503–524 (1999)
Rasmussen, C.E., Williams, C.K.I.: Gaussian Processes for Machine Learning. MIT Press, Cambridge (2006)
Reinhardt, H.J.: Analysis of Approximation Methods for Differential and Integral Equations. Applied Mathematical Sciences. Springer, New York (1985)
Robert, C.P., Casella, G.: Monte Carlo Statistical Methods, 2nd edn. Springer Texts in Statistics. Springer, New York (2004)
Sacks, J., Welch, W.J., Mitchell, T., Wynn, H.P.: Design and analysis of computer experiments. Stat. Sci. 4(4), 409–423 (1989)
Seeger, M.: Low rank updates for the Cholesky decomposition. Report, University of California at Berkeley (2007)
Smolyak, S.A.: Quadrature and interpolation formulas for tensor products of certain classes of functions. Sov. Math. Dokl. 4, 240–243 (1963)
Stark, H., Woods, J.W., Stark, H.: Probability and Random Processes with Applications to Signal Processing, 3rd edn. Prentice Hall, Upper Saddle River (2002)
Stegle, O., Lippert, C., Mooij, J.M., Lawrence, N.D., Borgwardt, K.M.: Efficient inference in matrix-variate Gaussian models with backslash iid observation noise. In: Shawe-Taylor, J., Zemel, R.S., Barlett, P.L., Pereira, F., Weinberger K.Q. (eds.): Advances in Neural Information Processing Systems 24 (NIPS 2011), Granada, Spain (2011)
Van Loan, C.F.: The ubiquitous Kronecker product. J. Comput. Appl. Math. 123(1–2), 85–100 (2000)
Wan, J., Zabaras, N.: A Bayssian approach to multiscale inverse problems using the sequential Monte Carlo method. Inverse Probl. 27(10), 105004 (2011)
Wan, X.L., Karniadakis, G.E.: An adaptive multi-element generalized polynomial chaos method for stochastic differential equations. J. Comput. Phys. 209(2), 617–642 (2005). doi:10.1016/j.jcp.2005.03.023, <GotoISI>://WOS:000230736700011
Welch, W.J., Buck, R.J., Sacks, J., Wynn, H.P., Mitchell, T.J., Morris, M.D.: Screening, predicting, and computer experiments. Technometrics 34(1), 15–25 (1992)
Xiu, D.B.: Efficient collocational approach for parametric uncertainty analysis. Commun. Comput. Phys. 2(2), 293–309 (2007)
Xiu, D.B., Hesthaven, J.S.: High-order collocation methods for differential equations with random inputs. SIAM J. Sci. Comput. 27(3), 1118–1139 (2005)
Xiu, D.B., Karniadakis, G.E.: The wiener-askey polynomial chaos for stochastic differential equations. SIAM J. Sci. Comput. 24(2), 619–644 (2002)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2015 Springer International Publishing Switzerland
About this entry
Cite this entry
Bilionis, I., Zabaras, N. (2015). Bayesian Uncertainty Propagation Using Gaussian Processes. In: Ghanem, R., Higdon, D., Owhadi, H. (eds) Handbook of Uncertainty Quantification. Springer, Cham. https://doi.org/10.1007/978-3-319-11259-6_16-1
Download citation
DOI: https://doi.org/10.1007/978-3-319-11259-6_16-1
Received:
Accepted:
Published:
Publisher Name: Springer, Cham
Online ISBN: 978-3-319-11259-6
eBook Packages: Springer Reference MathematicsReference Module Computer Science and Engineering