Calibrate, emulate, sample

• Published in: Journal of computational physics Vol. 424; p. 109716
• Main Authors: Cleary, Emmet, Garbuno-Inigo, Alfredo, Lan, Shiwei, Schneider, Tapio, Stuart, Andrew M.
• Format: Journal Article
• Language: English
• Published: Cambridge Elsevier Inc 01.01.2021; Elsevier Science Ltd
• Subjects: Adjoints; Approximate Bayesian inversion; Bayesian analysis; Computational physics; Derivatives; Emulators; Ensemble Kalman sampling; Experimental design; Gaussian process emulation; Optimization; Parameter estimation; Statistical inference; Uncertainty quantification; Uncertainty quantification; Ensemble Kalman sampling; Approximate Bayesian inversion; Experimental design; Gaussian process emulation
• ISSN: 0021-9991; 1090-2716
• DOI: 10.1016/j.jcp.2020.109716

•Modular methodology for approximate Bayesian inference.•Computationally cheap solution for experimental design.•Ensemble-based approach to calibrate the model parameters.•Emulation-based MCMC sampling for Uncertainty Quantification. Many parameter estimation problems arising in applications can be cast in the framework of Bayesian inversion. This allows not only for an estimate of the parameters, but also for the quantification of uncertainties in the estimates. Often in such problems the parameter-to-data map is very expensive to evaluate, and computing derivatives of the map, or derivative-adjoints, may not be feasible. Additionally, in many applications only noisy evaluations of the map may be available. We propose an approach to Bayesian inversion in such settings that builds on the derivative-free optimization capabilities of ensemble Kalman inversion methods. The overarching approach is to first use ensemble Kalman sampling (EKS) to calibrate the unknown parameters to fit the data; second, to use the output of the EKS to emulate the parameter-to-data map; third, to sample from an approximate Bayesian posterior distribution in which the parameter-to-data map is replaced by its emulator. This results in a principled approach to approximate Bayesian inference that requires only a small number of evaluations of the (possibly noisy approximation of the) parameter-to-data map. It does not require derivatives of this map, but instead leverages the documented power of ensemble Kalman methods. Furthermore, the EKS has the desirable property that it evolves the parameter ensemble towards the regions in which the bulk of the parameter posterior mass is located, thereby locating them well for the emulation phase of the methodology. In essence, the EKS methodology provides a cheap solution to the design problem of where to place points in parameter space to efficiently train an emulator of the parameter-to-data map for the purposes of Bayesian inversion.