Abstract
Differential equation (DE) is a commonly used modeling method in various scientific subjects such as finance and biology. The parameters in DE models often have interesting scientific interpretations, but their values are often unknown and need to be estimated from the measurements. Here, we develop a one-stage parameter estimation framework, which is based on the Markov Chain Monte Carlo (MCMC) method, to draw the samples from the posterior distribution of the unknown parameters from the given noisy and scarce observations of the solution only. A likelihood function including a novel potential is constructed to infer the unknown parameters and the novel potential works by measuring the residual errors of both data and DE model with given model parameters. A key issue in parameter estimation problem is to robustly estimate the solution and its derivatives from noisy observations of only the function values at given location points, under the assumption of a physical model in the form of differential equation governing the function and its derivatives. To address the key issue, we propose to use the Gaussian process regression with constraint (GPRC) method which jointly model the solution, its derivatives, and the parametric differential equation, to estimate the solution and its derivatives. With numerical examples, we illustrate that the proposed method has competitive performance against existing approaches for estimating the unknown parameters in DEs.





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References
Cao J, Wang L, Xu J (2011) Robust estimation for ordinary differential equation models. Biometrics 67(4):1305–1313
Cao J, Huang JZ, Hulin W (2012) Penalized nonlinear least squares estimation of time-varying parameters in ordinary differential equations. J Comput Graph Stat 21(1):42–56
Chen J, Wu H (2008) Efficient local estimation for time-varying coefficients in deterministic dynamic models with applications to hiv-1 dynamics. J Am Stat Assoc 103(481):369–384
Chib S, Greenberg E (1995) Understanding the metropolis-hastings algorithm. Am Stat 49(4):327–335
Earl A (1955) Coddington and Norman Levinson. Theory of ordinary differential equations, Tata McGraw-Hill Education
Gilks WR, Wild P (1992) Adaptive rejection sampling for gibbs sampling. J R Stat Soc Ser C (Appl Stat) 41(2):337–348
Girolami M (2008) Bayesian inference for differential equations. Theor Comput Sci 408(1):4–16
Graepel T (2003) Solving noisy linear operator equations by gaussian process: application to ordinary and partial differential equations. Int Conf Mach Learn 2003:234–241
Haario H, Laine M, Mira A, Saksman E (2006) Dram: efficient adaptive mcmc. Stat Comput 16(4):339–354
Hall P, Ma Y (2014) Quick and easy one-step parameter estimation in differential equations. J R Stat Soc Ser B Stat Methodol 2014:735–748
Ho DD, Neumann AU, Perelson AS, Chen W, Leonard JM, Markowitz M (1995) Rapid turnover of plasma virions and cd4 lymphocytes in hiv-1 infection. Nature 373(6510):123–126
Huang Y, Liu D, Hulin W (2006) Hierarchical bayesian methods for estimation of parameters in a longitudinal hiv dynamic system. Biometrics 62(2):413–423
Hulin W (2005) Statistical methods for hiv dynamic studies in aids clinical trials. Stat Methods Med Res 14(2):171–192
Hulin W, Adam Ding A, De Gruttola V (1998) Estimation of hiv dynamic parameters. Stat Med 17(21):2463–2485
Hulin W, Adam Ding A (1999) Population hiv-1 dynamics in vivo: applicable models and inferential tools for virological data from aids clinical trials. Biometrics 55(2):410–418
Liang H, Wu H (2008) Parameter estimation for differential equation models using a framework of measurement error in regression models. J Am Stat Assoc 103(484):1570–1583
Markus B, Hegger R, Kantz H (1999) Fitting partial differential equations to space-time dynamics. Phys Rev E 59(1):337
Müller TG, Timmer J (2002) Fitting parameters in partial differential equations from partially observed noisy data. Phys D: Nonlinear Phenom 171(1–2):1–7
Müller TG, Timmer J (2004) Parameter identification techniques for partial differential equations. Int J Bifurc Chaos 14(06):2053–2060
Parlitz U, Merkwirth C (2000) Prediction of spatiotemporal time series based on reconstructed local states. Phys Rev Lett 84(9):1890
Putter SHH, Heisterkamp JMAL, De Wolf F (2002) A bayesian approach to parameter estimation in hiv dynamical models. Stat Med 21(15):2199–2214
Rai PK, Tripathi S (2019) Gaussian process for estimating parameters of partial differential equations and its application to the richards equation. Stochastic Env Res Risk Assess 33(8–9):1629–1649
Ramsay JO, Hooker G, Campbell D, Cao J (2007) Parameter estimation for differential equations: a generalized smoothing approach. J R Stat Soc Ser B (Stat Methodol) 69(5):741–796
Rudy SH, Brunton SL, Proctor JL, Nathan Kutz J (2017) Data-driven discovery of partial differential equations. Sci Adv 3:4
Seeger M (2004) Gaussian processes for machine learning. Int J Neural Syst 14(02):69–106
Voss HU, Kolodner P, Abel M, Kurths J (1999) Amplitude equations from spatiotemporal binary-fluid convection data. Phys Rev Lett 83(17):3422
Wang H, Li J (2018) Adaptive gaussian process approximation for bayesian inference with expensive likelihood functions. Neural Comput 30(11):3072–3094
Wang H, Zhou X (2020) Explicit estimation of derivatives from data and differential equations by gaussian process regression. arXiv:2004.05796
Wei X, Ghosh SK, Taylor ME, Johnson VA, Emini EA, Deutsch P, Lifson JD, Bonhoeffer S, Nowak MA, Hahn BH et al (1995) Viral dynamics in human immunodeficiency virus type 1 infection. Nature 373(6510):117–122
Xun X, Cao J, Mallick B, Maity A, Carroll RJ (2013) Parameter estimation of partial differential equation models. J Am Stat Assoc 108(503):1009–1020
Acknowledgements
Hongqiao Wang acknowledges the support of NSFC 12101615. Qingping Zhou acknowledges the support of the Natural Science Foundation of Hunan Province, China, under Grant 2021JJ40715. This work was carried out in part using computing resources at the High Performance Computing Center of Central South University.
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Zhou, Y., Zhou, Q. & Wang, H. Inferring the unknown parameters in differential equation by Gaussian process regression with constraint. Comp. Appl. Math. 41, 280 (2022). https://doi.org/10.1007/s40314-022-01968-2
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DOI: https://doi.org/10.1007/s40314-022-01968-2