Bayesian inversion of a diffusion evolution equation with application to Biology

A common task in experimental sciences is to fit mathematical models to real-world measurements to improve understanding of natural phenomenon (reverse-engineering or inverse modeling). When complex dynamical systems are considered, such as partial differential equations, this task may become challenging and ill-posed. In this work, a linear parabolic equation is considered where the objective is to estimate both the differential operator coeffcients and the source term at once. The Bayesian methodology for inverse problems provides a form of regularization while quantifying uncertainty as the solution is a probability measure taking in account data. This posterior distribution, which is non-Gaussian and infinite dimensional, is then summarized through a mode and sampled using a state-of-the-art Markov-Chain Monte-Carlo algorithm based on a geometric approach. After a rigorous analysis, this methodology is applied on a dataset of the post-transcriptional regulation of Kni gap gene in the early development of Drosophila Melanogaster where mRNA concentration and both diffusion and depletion rates are inferred from noisy measurement of the protein concentration.

[1]  G. M.,et al.  Partial Differential Equations I , 2023, Applied Mathematical Sciences.

[2]  S. B. Childs,et al.  INVERSE PROBLEMS IN PARTIAL DIFFERENTIAL EQUATIONS. , 1968 .

[3]  Y. Marzouk,et al.  Large-Scale Inverse Problems and Quantification of Uncertainty , 1994 .

[4]  Jorge Nocedal,et al.  A Limited Memory Algorithm for Bound Constrained Optimization , 1995, SIAM J. Sci. Comput..

[5]  J. Nocedal,et al.  A Limited Memory Algorithm for Bound Constrained Optimization , 1995, SIAM J. Sci. Comput..

[6]  V. Isakov Appendix -- Function Spaces , 2017 .

[7]  A. Gupta,et al.  A Bayesian Approach to , 1997 .

[8]  L. Tierney A note on Metropolis-Hastings kernels for general state spaces , 1998 .

[9]  J. Voss,et al.  Analysis of SPDEs arising in path sampling. Part I: The Gaussian case , 2005 .

[10]  A. Stuart,et al.  ANALYSIS OF SPDES ARISING IN PATH SAMPLING PART II: THE NONLINEAR CASE , 2006, math/0601092.

[11]  Stefan Ulbrich,et al.  Optimization with PDE Constraints , 2008, Mathematical modelling.

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

[13]  H. Brezis Functional Analysis, Sobolev Spaces and Partial Differential Equations , 2010 .

[14]  Andrew M. Stuart,et al.  Inverse problems: A Bayesian perspective , 2010, Acta Numerica.

[15]  Andrew Gelman,et al.  Handbook of Markov Chain Monte Carlo , 2011 .

[16]  M. Girolami,et al.  Riemann manifold Langevin and Hamiltonian Monte Carlo methods , 2011, Journal of the Royal Statistical Society: Series B (Statistical Methodology).

[17]  Barbara Kaltenbacher,et al.  Regularization Methods in Banach Spaces , 2012, Radon Series on Computational and Applied Mathematics.

[18]  A. Stuart,et al.  MAP estimators and their consistency in Bayesian nonparametric inverse problems , 2013, 1303.4795.

[19]  G. Roberts,et al.  MCMC Methods for Functions: ModifyingOld Algorithms to Make Them Faster , 2012, 1202.0709.

[20]  Eva Balsa-Canto,et al.  Reverse-Engineering Post-Transcriptional Regulation of Gap Genes in Drosophila melanogaster , 2013, PLoS Comput. Biol..

[21]  Kody J. H. Law Proposals which speed up function-space MCMC , 2014, J. Comput. Appl. Math..

[22]  A. Stuart,et al.  Spectral gaps for a Metropolis–Hastings algorithm in infinite dimensions , 2011, 1112.1392.

[23]  Martin Burger,et al.  Maximum a posteriori probability estimates in infinite-dimensional Bayesian inverse problems , 2014, 1412.5816.

[24]  Anders Logg,et al.  The FEniCS Project Version 1.5 , 2015 .

[25]  T. Sullivan Introduction to Uncertainty Quantification , 2015 .

[26]  Tiangang Cui,et al.  Dimension-independent likelihood-informed MCMC , 2014, J. Comput. Phys..

[27]  Andrew M. Stuart,et al.  Geometric MCMC for infinite-dimensional inverse problems , 2016, J. Comput. Phys..

[28]  Houman Owhadi,et al.  Handbook of Uncertainty Quantification , 2017 .

[29]  Martin Burger,et al.  Sparsity-promoting and edge-preserving maximum a posteriori estimators in non-parametric Bayesian inverse problems , 2017, 1705.03286.

[30]  Bamdad Hosseini,et al.  Well-Posed Bayesian Inverse Problems: Priors with Exponential Tails , 2016, SIAM/ASA J. Uncertain. Quantification.

[31]  Daniel Rudolf,et al.  On a Generalization of the Preconditioned Crank–Nicolson Metropolis Algorithm , 2015, Found. Comput. Math..

[32]  Neil D. Lawrence,et al.  Gaussian Process Latent Force Models for Learning and Stochastic Control of Physical Systems , 2017, IEEE Transactions on Automatic Control.