Simulation-based optimal Bayesian experimental design for nonlinear systems

Journal of Computational Physics - Tập 232 Số 1 - Trang 288-317 - 2013
Xun Huan1, Youssef Marzouk1
1Massachusetts Institute of Technology, Cambridge, MA 02139, USA

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Atkinson, 2007

Chaloner, 1995, Bayesian experimental design: a review, Statistical Science, 10, 273, 10.1214/ss/1177009939

Chu, 2008, Integrating parameter selection with experimental design under uncertainty for nonlinear dynamic systems, AIChE Journal, 54, 2310, 10.1002/aic.11562

Ford, 1989, Recent advances in nonlinear experimental design, Technometrics, 31, 49, 10.1080/00401706.1989.10488475

M.A. Clyde, Bayesian optimal designs for approximate normality, Ph.D. thesis, University of Minnesota, 1993.

Müller, 1998, Simulation based optimal design, 459

Guest, 2009, Iteratively constructive sequential design of experiments and surveys with nonlinear parameter-data relationships, Journal of Geophysical Research, 114, 1, 10.1029/2008JB005948

Lindley, 1956, On a measure of the information provided by an experiment, The Annals of Mathematical Statistics, 27, 986, 10.1214/aoms/1177728069

Lindley, 1972

Loredo, 2010, Rotating stars and revolving planets: Bayesian exploration of the pulsating sky, 361

Sebastiani, 2000, Maximum entropy sampling and optimal Bayesian experimental design, Journal of the Royal Statistical Society. Series B (Statistical Methodology), 62, 145, 10.1111/1467-9868.00225

Loredo, 2003, Bayesian adaptive exploration, 57

van den Berg, 2003, Optimal nonlinear Bayesian experimental design: an application to amplitude versus offset experiments, Geophysical Journal International, 155, 411, 10.1046/j.1365-246X.2003.02048.x

Ryan, 2003, Estimating expected information gains for experimental designs with application to the random fatigue-limit model, Journal of Computational and Graphical Statistics, 12, 585, 10.1198/1061860032012

Terejanu, 2012, Bayesian experimental design for the active nitridation of graphite by atomic nitrogen, Experimental Thermal and Fluid Science, 36, 178, 10.1016/j.expthermflusci.2011.09.012

Mosbach, 2012, Iterative improvement of Bayesian parameter estimates for an engine model by means of experimental design, Combustion and Flame, 159, 1303, 10.1016/j.combustflame.2011.10.019

Russi, 2008, Sensitivity analysis of uncertainty in model prediction, The Journal of Physical Chemistry A, 112, 2579, 10.1021/jp076861c

Müller, 1995, Optimal design via curve fitting of Monte Carlo experiments, Journal of the American Statistical Association, 90, 1322

M.A. Clyde, P. Müller, G. Parmigiani, Exploring expected utility surfaces by Markov chains, Technical Report 95-39, Duke University, 1995.

Müller, 2004, Optimal Bayesian design by inhomogeneous Markov chain simulation, Journal of the American Statistical Association, 99, 788, 10.1198/016214504000001123

Hamada, 2001, Finding near-optimal Bayesian experimental designs via genetic algorithms, The American Statistician, 55, 175, 10.1198/000313001317098121

Ghanem, 2012

Xiu, 2002, The Wiener–Askey polynomial chaos for stochastic differential equations, SIAM Journal of Scientific Computing, 24, 619, 10.1137/S1064827501387826

Gerstner, 2003, Dimension-adaptive tensor-product quadrature, Computing, 71, 65, 10.1007/s00607-003-0015-5

Kennedy, 2001, Bayesian calibration of computer models, Journal of the Royal Statistical Society. Series B (Statistical Methodology), 63, 425, 10.1111/1467-9868.00294

Berger, 1985

Gelman, 2008, Objections to Bayesian statistics, Bayesian Analysis, 3, 445, 10.1214/08-BA318

Stark, 2010, A primer of frequentist and Bayesian inference in inverse problems

Sivia, 2006

Cover, 2006

MacKay, 2003

Shewry, 1987, Maximum entropy sampling, Journal of Applied Statistics, 14, 165, 10.1080/02664768700000020

X. Huan, Accelerated Bayesian experimental design for chemical kinetic models, Master’s thesis, Massachusetts Institute of Technology, 2010.

Spall, 1998

Spall, 1998, Implementation of the simultaneous perturbation algorithm for stochastic optimization, IEEE Transactions on Aerospace and Electronic Systems, 34, 817, 10.1109/7.705889

J.C. Spall, Simultaneous perturbation stochastic approximation website. <http://www.jhuapl.edu/SPSA/>.

Kleinman, 1999, Simulation-based optimization with stochastic approximation using common random numbers, Management Science, 45, 1570, 10.1287/mnsc.45.11.1570

J.C. Spall, A stochastic approximation algorithm for large-dimensional systems in the Kiefer–Wolfowitz setting, in: Proceedings of the 27th IEEE Conference on Decision and Control, vol. 2, pp. 1544–1548.

Spall, 1992, Multivariate stochastic approximation using a simultaneous perturbation gradient approximation, IEEE Transactions on Automatic Control, 37, 332, 10.1109/9.119632

He, 2003, Convergence of simultaneous perturbation stochastic approximation for nondifferentiable optimization, IEEE Transactions on Automatic Control, 48, 1459, 10.1109/TAC.2003.815008

Maryak, 2004

Nelder, 1965, A simplex method for function minimization, The Computer Journal, 7, 308, 10.1093/comjnl/7.4.308

Barton, 1996, Nelder–Mead simplex modifications for simulation optimization, Management Science, 42, 954, 10.1287/mnsc.42.7.954

Spall, 2003

Bui-Thanh, 2007, Model reduction for large-scale systems with high-dimensional parametric input space, SIAM Journal on Scientific Computing, 30, 3270, 10.1137/070694855

M. Frangos, Y. Marzouk, K. Willcox, B. van Bloemen Waanders, Surrogate and Reduced-Order Modeling: A Comparison of Approaches for Large-Scale Statistics Inverse Problems, in Computational Methods for Large-Scale Inverse Problems and Quantification of Uncertainty, Wiley, 2011

Wiener, 1938, The homogeneous chaos, American Journal of Mathematics, 60, 897, 10.2307/2371268

Debusschere, 2004, Numerical challenges in the use of polynomial chaos representations for stochastic processes, SIAM Journal on Scientific Computing, 26, 698, 10.1137/S1064827503427741

Najm, 2009, Uncertainty quantification and polynomial chaos techniques in computational fluid dynamics, Annual Review of Fluid Mechanics, 41, 35, 10.1146/annurev.fluid.010908.165248

Xiu, 2009, Fast numerical methods for stochastic computations: a review, Communications in Computational Physics, 5, 242

Le Maître, 2010

S. Hosder, R.W. Walters, R. Perez, A non-intrusive polynomial chaos method for uncertainty propagation in CFD simulations, in: 44th AIAA Aerospace Sciences Meeting and Exhibit, AIAA paper 2006-891, 2006.

Reagan, 2003, Uncertainty quantification in reacting-flow simulations through non-intrusive spectral projection, Combustion and Flame, 132, 545, 10.1016/S0010-2180(02)00503-5

R.W. Walters, Towards stochastic fluid mechanics via polynomial chaos, in: 41st Aerospace Sciences Meeting and Exhibit, AIAA paper 2003-413, 2003.

Xiu, 2003, A new stochastic approach to transient heat conduction modeling with uncertainty, International Journal of Heat and Mass Transfer, 46, 4681, 10.1016/S0017-9310(03)00299-0

Marzouk, 2007, Stochastic spectral methods for efficient Bayesian solution of inverse problems, Journal of Computational Physics, 224, 560, 10.1016/j.jcp.2006.10.010

Marzouk, 2009, A stochastic collocation approach to Bayesian inference in inverse problems, Communications in Computational Physics, 6, 826, 10.4208/cicp.2009.v6.p826

Marzouk, 2009, Dimensionality reduction and polynomial chaos acceleration of Bayesian inference in inverse problems, Journal of Computational Physics, 228, 1862, 10.1016/j.jcp.2008.11.024

Cameron, 1947, The orthogonal development of non-linear functionals in series of Fourier–Hermite functionals, The Annals of Mathematics, 48, 385, 10.2307/1969178

Eldred, 2011, Design under uncertainty employing stochastic expansion methods, International Journal for Uncertainty Quantification, 1, 119, 10.1615/IntJUncertaintyQuantification.v1.i2.20

Morokoff, 1995, Quasi-Monte Carlo integration, Journal of Computational Physics, 122, 218, 10.1006/jcph.1995.1209

Sobol, 1967, On the distribution of points in a cube and the approximate evaluation of integrals, USSR Computational Mathematics and Mathematical Physics, 7, 86, 10.1016/0041-5553(67)90144-9

Smolyak, 1963, Quadrature and interpolation formulas for tensor products of certain classes of functions, Dokl. Akad. Nauk SSSR, 4, 123

Barthelmann, 2000, High dimensional polynomial interpolation on sparse grids, Advances in Computational Mathematics, 12, 273, 10.1023/A:1018977404843

Gerstner, 1998, Numerical integration using sparse grids, Numerical Algorithms, 18, 209, 10.1023/A:1019129717644

Bungartz, 2004, High order quadrature on sparse grids, 394

Trefethen, 2008, Is Gauss quadrature better than Clenshaw–Curtis?, SIAM Review, 50, 67, 10.1137/060659831

Gentleman, 1972, Implementing Clenshaw–Curtis quadrature I methodology and experience, Communications of the ACM, 15, 337, 10.1145/355602.361310

Gentleman, 1972, Implementing Clenshaw–Curtis quadrature II computing the cosine transformation, Communications of the ACM, 15, 343, 10.1145/355602.361311

Kahan, 1965, Further remarks on reducing truncation errors, Communications of the ACM, 8, 40, 10.1145/363707.363723

Metropolis, 1953, Equation of state calculations by fast computing machines, The Journal of Chemical Physics, 21, 1087, 10.1063/1.1699114

Hastings, 1970, Monte Carlo sampling methods using Markov chains and their applications, Biometrika, 57, 97, 10.1093/biomet/57.1.97

Tierney, 1994, Markov chains for exploring posterior distributions, The Annals of Statistics, 22, 1701, 10.1214/aos/1176325750

Gilks, 1996

Andrieu, 2003, An introduction to MCMC for machine learning, Machine Learning, 50, 5, 10.1023/A:1020281327116

Robert, 2004

Green, 2001, Delayed rejection in reversible jump Metropolis-Hastings, Biometrika, 88, 1035, 10.1093/biomet/88.4.1035

Mira, 2001, On Metropolis–Hastings algorithms with delayed rejection, Metron – International Journal of Statistics, 59, 231

Haario, 2001, An adaptive Metropolis algorithm, Bernoulli, 7, 223, 10.2307/3318737

Haario, 2006, DRAM: efficient adaptive MCMC, Statistics and Computing, 16, 339, 10.1007/s11222-006-9438-0

M. Frenklach, Transforming data into knowledge—process informatics for combustion chemistry, in: Proceedings of the Combustion Insitute, vol. 31, 2007, pp. 125–140.

Davidson, 2004, Interpreting shock tube ignition data, International Journal of Chemical Kinetics, 36, 510, 10.1002/kin.20024

Baulch, 1994, Evaluated kinetic data for combustion modeling, supplement I Journal of Physical and Chemical Reference Data, supplement I, 23, 847, 10.1063/1.555953

Baulch, 2005, Evaluated kinetic data for combustion modeling: supplement II, Journal of Physical and Chemical Reference Data, 34, 757, 10.1063/1.1748524

Phenix, 1998, Incorporation of parametric uncertainty into complex kinetic mechanisms: application to hydrogen oxidation in supercritical water, Combustion and Flame, 112, 132, 10.1016/S0010-2180(97)81762-2

Yetter, 1991, A comprehensive reaction mechanism for carbon monoxide/hydrogen/oxygen kinetics, Combustion Science and Technology, 79, 97, 10.1080/00102209108951759

D.G. Goodwin, Cantera C++ User’s Guide, California Institute of Technology, 2002.

Cantera 1.7.0. website, <http://sourceforge.net/projects/cantera/>.

Cohen, 1996, CVODE a stiff/nonstiff ODE solver in C, Computers in Physics, 10, 138, 10.1063/1.4822377

Najm, 2009, Uncertainty quantification in chemical systems, International Journal for Numerical Methods in Engineering, 80, 789, 10.1002/nme.2551