Efficient iterative methods for hyperparameter estimation in large-scale linear inverse problems (2311.15827v2)
Abstract: We study Bayesian methods for large-scale linear inverse problems, focusing on the challenging task of hyperparameter estimation. Typical hierarchical Bayesian formulations that follow a Markov Chain Monte Carlo approach are possible for small problems with very few hyperparameters but are not computationally feasible for problems with a very large number of unknown parameters. In this work, we describe an empirical Bayesian (EB) method to estimate hyperparameters that maximize the marginal posterior, i.e., the probability density of the hyperparameters conditioned on the data, and then we use the estimated values to compute the posterior of the inverse parameters. For problems where the computation of the square root and inverse of prior covariance matrices are not feasible, we describe an approach based on the generalized Golub-Kahan bidiagonalization to approximate the marginal posterior and seek hyperparameters that minimize the approximate marginal posterior. Numerical results from seismic and atmospheric tomography demonstrate the accuracy, robustness, and potential benefits of the proposed approach.
- A. Alexanderian and A. K. Saibaba. Efficient D-optimal design of experiments for infinite-dimensional Bayesian linear inverse problems. SIAM Journal on Scientific Computing, 40(5):A2956–A2985, 2018.
- Large-scale stochastic linear inversion using hierarchical matrices. Comput. Geosci., 17(6):913–927, 2013.
- J. M. Bardsley. Computational uncertainty quantification for inverse problems, volume 19 of Computational Science & Engineering. Society for Industrial and Applied Mathematics (SIAM), Philadelphia, PA, 2018.
- R. Bhatia. Matrix analysis, volume 169 of Graduate Texts in Mathematics. Springer-Verlag, New York, 1997.
- Semivariogram methods for modeling Whittle–Matérn priors in Bayesian inverse problems. Inverse Problems, 36(5):055006, 2020.
- H. Brunner. Collocation methods for Volterra integral and related functional differential equations, volume 15 of Cambridge Monographs on Applied and Computational Mathematics. Cambridge University Press, Cambridge, 2004.
- A trust region method based on interior point techniques for nonlinear programming. Math. Program., 89(1, Ser. A):149–185, 2000.
- An interior point algorithm for large-scale nonlinear programming. volume 9, pages 877–900. 1999. Dedicated to John E. Dennis, Jr., on his 60th birthday.
- D. Calvetti and E. Somersalo. Introduction to Bayesian scientific computing, volume 2 of Surveys and Tutorials in the Applied Mathematical Sciences. Springer, New York, 2007. Ten lectures on subjective computing.
- A. Carasso. Determining surface temperatures from interior observations. SIAM J. Appl. Math., 42(3):558–574, 1982.
- Computationally efficient methods for large-scale atmospheric inverse modeling. Geoscientific Model Development, 15(14):5547–5565, 2022.
- Hybrid projection methods for solution decomposition in large-scale Bayesian inverse problems. SIAM Journal on Scientific Computing, pages S97–S119, 2023.
- J. Chung and A. K. Saibaba. Generalized hybrid iterative methods for large-scale Bayesian inverse problems. SIAM J. Sci. Comput., 39(5):S24–S46, 2017.
- A. Cortinovis and D. Kressner. On randomized trace estimates for indefinite matrices with an application to determinants. Foundations of Computational Mathematics, pages 1–29, 2021.
- L. Eldén. Numerical solution of the sideways heat equation. In Inverse problems in diffusion processes (Lake St. Wolfgang, 1994), pages 130–150. SIAM, Philadelphia, PA, 1995.
- Regularization of inverse problems, volume 375 of Mathematics and its Applications. Kluwer Academic Publishers Group, Dordrecht, 1996.
- J. N. Franklin. Well-posed stochastic extensions of ill-posed linear problems. J. Math. Anal. Appl., 31:682–716, 1970.
- IR Tools: a MATLAB package of iterative regularization methods and large-scale test problems. Numer. Algorithms, 81(3):773–811, 2019.
- P. C. Hansen. Regularization Tools version 4.0 for Matlab 7.3. Numer. Algorithms, 46(2):189–194, 2007.
- P. K. Kitanidis. Quasi-linear geostatistical theory for inversing. Water resources research, 31(10):2411–2419, 1995.
- A geostatistical approach to the inverse problem in groundwater modeling (steady state) and one-dimensional simulations. Water resources research, 19(3):677–690, 1983.
- Linear inverse problems for generalised random variables. Inverse Problems, 5(4):599–612, 1989.
- Kryging: geostatistical analysis of large-scale datasets using Krylov subspace methods. Statistics and Computing, 32(5):74, 2022.
- Maximum likelihood estimation of covariance parameters for Bayesian atmospheric trace gas surface flux inversions. Journal of Geophysical Research: Atmospheres, 110(D24), 2005.
- Geostatistical inverse modeling with very large datasets: an example from the orbiting carbon observatory 2 (oco-2) satellite. Geoscientific Model Development, 13(3):1771–1785, 2020.
- NOAA Global Monitoring Laboratory. Carbontracker - lagrange. Accessed: Aug. 2, 2023.
- Efficient computation of linearized cross-covariance and auto-covariance matrices of interdependent quantities. Math. Geol., 35(1):53–66, 2003.
- Bayesian statistical methods. CRC Press, Boca Raton, FL, 2019.
- Efficient Krylov subspace methods for uncertainty quantification in large Bayesian linear inverse problems. Numer. Linear Algebra Appl., 27(5):e2325, 28, 2020.
- Efficient methods for large-scale linear inversion using a geostatistical approach. Water Resources Research, 48(5), 2012.
- R. Vershynin. High-dimensional probability: An introduction with applications in data science, volume 47. Cambridge University Press, Cambridge, 2018.
- An interior algorithm for nonlinear optimization that combines line search and trust region steps. Math. Program., 107(3, Ser. A):391–408, 2006.
- An approximate empirical Bayesian method for large-scale linear-Gaussian inverse problems. Inverse Problems, 34(9):095001, 18, 2018.