A Theoretical Framework for Calibration in Computer Models: Parametrization, Estimation and Convergence Properties

Calibration parameters in deterministic computer experiments are those attributes that cannot be measured or available in physical experiments. Kennedy and O'Hagan \cite{kennedy2001bayesian} suggested an approach to estimate them by using data from physical experiments and computer simulations. A theoretical framework is given which allows us to study the issues of parameter identifiability and estimation. We define the $L_2$-consistency for calibration as a justification for calibration methods. It is shown that a simplified version of the original KO method leads to asymptotically $L_2$-inconsistent calibration. This $L_2$-inconsistency can be remedied by modifying the original estimation procedure. A novel calibration method, called the $L_2$ calibration, is proposed and proven to be $L_2$-consistent and enjoys optimal convergence rate. A numerical example and some mathematical analysis are used to illustrate the source of the $L_2$-inconsistency problem.

[1]  Carl E. Rasmussen,et al.  Gaussian processes for machine learning , 2005, Adaptive computation and machine learning.

[2]  Dave Higdon,et al.  Combining Field Data and Computer Simulations for Calibration and Prediction , 2005, SIAM J. Sci. Comput..

[3]  Chia-Jung Chang,et al.  Model Calibration Through Minimal Adjustments , 2014, Technometrics.

[4]  G. Fasshauer Positive definite kernels: past, present and future , 2011 .

[5]  J. Murphy,et al.  A methodology for probabilistic predictions of regional climate change from perturbed physics ensembles , 2007, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[6]  Huan Yan,et al.  Engineering-Driven Statistical Adjustment and Calibration , 2015, Technometrics.

[7]  Karin Rothschild,et al.  A Course In Functional Analysis , 2016 .

[8]  D. Xiu Numerical Methods for Stochastic Computations: A Spectral Method Approach , 2010 .

[9]  E. Stein,et al.  Introduction to Fourier Analysis on Euclidean Spaces. , 1971 .

[10]  D. Whittaker,et al.  A Course in Functional Analysis , 1991, The Mathematical Gazette.

[11]  Thomas J. Santner,et al.  Simultaneous Determination of Tuning and Calibration Parameters for Computer Experiments , 2009, Technometrics.

[12]  Thomas J. Santner,et al.  Design and analysis of computer experiments , 1998 .

[13]  Martin D. Buhmann,et al.  Radial Basis Functions: Theory and Implementations: Preface , 2003 .

[14]  Wei Chen,et al.  Bayesian Validation of Computer Models , 2009, Technometrics.

[15]  Roger Woodard,et al.  Interpolation of Spatial Data: Some Theory for Kriging , 1999, Technometrics.

[16]  E FasshauerG Positive definite kernels: past, present and future , 2011 .

[17]  Runze Li,et al.  Design and Modeling for Computer Experiments , 2005 .

[18]  D. Higdon,et al.  Computer Model Calibration Using High-Dimensional Output , 2008 .

[19]  C. F. Wu,et al.  Efficient Calibration for Imperfect Computer Models , 2015, 1507.07280.

[20]  M. J. Bayarri,et al.  Computer model validation with functional output , 2007, 0711.3271.

[21]  J. P. Lewis,et al.  RBF interpolation and Gaussian process regression through an RKHS formulation , 2011 .

[22]  Holger Wendland,et al.  Scattered Data Approximation: Conditionally positive definite functions , 2004 .

[23]  James O. Berger,et al.  A Framework for Validation of Computer Models , 2007, Technometrics.

[24]  Michael Goldstein,et al.  Probabilistic Formulations for Transferring Inferences from Mathematical Models to Physical Systems , 2005, SIAM J. Sci. Comput..

[25]  Adam D. Bull,et al.  Convergence Rates of Efficient Global Optimization Algorithms , 2011, J. Mach. Learn. Res..

[26]  A. O'Hagan,et al.  Bayesian calibration of computer models , 2001 .

[27]  V. R. Joseph,et al.  Statistical Adjustments to Engineering Models , 2009 .

[28]  Peter Z. G. Qian,et al.  Accurate emulators for large-scale computer experiments , 2011, 1203.2433.