Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Quantifying model structural error: Efficient Bayesian calibration of a regional groundwater flow model using surrogates and a data-driven error model

Journal Article · · Water Resources Research
DOI:https://doi.org/10.1002/2016wr019831· OSTI ID:1532997
 [1];  [2];  [3];  [4]
  1. Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States). Dept. of Civil and Environmental Engineering; Michigan State Univ., East Lansing, MI (United States). Dept. of Earth and Environmental Sciences; DOE/OSTI
  2. Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States). Dept. of Civil and Environmental Engineering
  3. Florida State Univ., Tallahassee, FL (United States). Dept. of Scientific Computing
  4. Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States). Dept. of Statistics

Groundwater model structural error is ubiquitous, due to simplification and/or misrepresentation of real aquifer systems. During model calibration, the basic hydrogeological parameters may be adjusted to compensate for structural error. This may result in biased predictions when such calibrated models are used to forecast aquifer responses to new forcing. Here, we investigate the impact of model structural error on calibration and prediction of a real-world groundwater flow model, using a Bayesian method with a data-driven error model to explicitly account for model structural error. The error-explicit Bayesian method jointly infers model parameters and structural error and thereby reduces parameter compensation. In this study, Bayesian inference is facilitated using high performance computing and fast surrogate models (based on machine learning techniques) as a substitute for the computationally expensive groundwater model. We demonstrate that with explicit treatment of model structural error, the Bayesian method yields parameter posterior distributions that are substantially different from those derived using classical Bayesian calibration that does not account for model structural error. We also found that the error-explicit Bayesian method gives signficantly more accurate prediction along with reasonable credible intervals. Finally, through variance decomposition, we provide a comprehensive assessment of prediction uncertainty contributed from parameter, model structure, and measurement uncertainty. The results suggest that the error-explicit Bayesian approach provides a solution to real-world modeling applications for which data support the presence of model structural error, yet model deficiency cannot be specifically identified or corrected.

Research Organization:
Florida State Univ., Tallahassee, FL (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
SC0008272
OSTI ID:
1532997
Journal Information:
Water Resources Research, Journal Name: Water Resources Research Journal Issue: 5 Vol. 53; ISSN 0043-1397
Publisher:
American Geophysical Union (AGU)Copyright Statement
Country of Publication:
United States
Language:
English

References (68)

Effective Groundwater Model Calibration book January 2007
Assessment of parametric uncertainty for groundwater reactive transport modeling journal May 2014
Comparison of joint versus postprocessor approaches for hydrological uncertainty estimation accounting for error autocorrelation and heteroscedasticity journal March 2014
A statistical concept to assess the uncertainty in Bayesian model weights and its impact on model ranking: ASSESSING THE UNCERTAINTY IN BAYESIAN MODEL WEIGHTS journal September 2015
A review of surrogate models and their application to groundwater modeling: SURROGATES OF GROUNDWATER MODELS journal August 2015
A unified approach for process‐based hydrologic modeling: 1. Modeling concept journal April 2015
A Bayesian approach to improved calibration and prediction of groundwater models with structural error journal November 2015
An adaptive Gaussian process-based method for efficient Bayesian experimental design in groundwater contaminant source identification problems: ADAPTIVE GAUSSIAN PROCESS-BASED INVERSION journal August 2016
A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses: PARALLEL LEVENBERG-MARQUARDT FOR INVERSE MODELING journal September 2016
Evaluating forecasts of extreme events for hydrological applications: an approach for screening unfamiliar performance measures journal January 2008
Efficient posterior exploration of a high-dimensional groundwater model from two-stage Markov chain Monte Carlo simulation and polynomial chaos expansion: Speeding up MCMC Simulation of a Groundwater Model journal May 2013
Effects of error covariance structure on estimation of model averaging weights and predictive performance: EFFECTS OF ERROR COVARIANCE STRUCTURE ON MODEL AVERAGING journal September 2013
Bayesian Kernel Methods book January 2003
The Nature of Statistical Learning Theory book January 1995
The Nature of Statistical Learning Theory book January 2000
Maximum likelihood Bayesian averaging of uncertain model predictions journal November 2003
Equifinality, data assimilation, and uncertainty estimation in mechanistic modelling of complex environmental systems using the GLUE methodology journal August 2001
Practical selection of SVM parameters and noise estimation for SVM regression journal January 2004
A framework for dealing with uncertainty due to model structure error journal November 2006
Data-driven methods to improve baseflow prediction of a regional groundwater model journal December 2015
Efficient Bayesian inference of subsurface flow models using nested sampling and sparse polynomial chaos surrogates journal February 2014
Environmental data mining and modeling based on machine learning algorithms and geostatistics journal September 2004
A General Probabilistic Framework for uncertainty and global sensitivity analysis of deterministic models: A hydrological case study journal January 2014
An evaluation of adaptive surrogate modeling based optimization with two benchmark problems journal October 2014
Markov chain Monte Carlo simulation using the DREAM software package: Theory, concepts, and MATLAB implementation journal January 2016
Uncertainty in the spatial prediction of soil texture journal January 2012
Uncertainty in water quality modelling: The applicability of Variance Decomposition Approach journal November 2010
Daily streamflow forecasting by machine learning methods with weather and climate inputs journal January 2012
Evaluating two sparse grid surrogates and two adaptation criteria for groundwater Bayesian uncertainty quantification journal April 2016
Using sparse polynomial chaos expansions for the global sensitivity analysis of groundwater lifetime expectancy in a multi-layered hydrogeological model journal March 2016
Random Forest:  A Classification and Regression Tool for Compound Classification and QSAR Modeling journal November 2003
Random Forests journal January 2001
Maximum likelihood Bayesian averaging of spatial variability models in unsaturated fractured tuff: MAXIMUM LIKELIHOOD BAYESIAN MODEL AVERAGING journal May 2004
Assessing the impacts of parameter uncertainty for computationally expensive groundwater models: UNCERTAINTY ASSESSMENT journal October 2006
Efficient nonlinear predictive error variance for highly parameterized models: EFFICIENT NONLINEAR PREDICTIVE ERROR journal July 2007
Uncertainty in hydrologic modeling: Toward an integrated data assimilation framework: HYDROLOGIC DATA ASSIMILATION journal July 2007
Treatment of input uncertainty in hydrologic modeling: Doing hydrology backward with Markov chain Monte Carlo simulation: FORCING DATA ERROR USING MCMC SAMPLING journal December 2008
An approach for improving the sampling efficiency in the Bayesian calibration of computationally expensive simulation models: IMPROVING SAMPLING EFFICIENCY IN BAYESIAN CALIBRATION journal June 2009
Understanding predictive uncertainty in hydrologic modeling: The challenge of identifying input and structural errors: IDENTIFIABILITY OF INPUT AND STRUCTURAL ERRORS journal May 2010
A short exploration of structural noise: A SHORT EXPLORATION OF STRUCTURAL NOISE journal May 2010
A formal likelihood function for parameter and predictive inference of hydrologic models with correlated, heteroscedastic, and non‐Gaussian errors journal October 2010
Disentangling uncertainties in distributed hydrological modeling using multiplicative error models and sequential data assimilation: DISENTANGLING UNCERTAINTIES IN HYDROLOGICAL MODELING journal December 2010
Typology of hydrologic predictability: OPINION journal March 2011
Bayesian calibration of a large-scale geothermal reservoir model by a new adaptive delayed acceptance Metropolis Hastings algorithm: ADAPTIVE DELAYED ACCEPTANCE METROPOLIS-HASTINGS ALGORITHM journal October 2011
High-dimensional posterior exploration of hydrologic models using multiple-try DREAM (ZS) and high-performance computing : EFFICIENT MCMC FOR HIGH-DIMENSIONAL PROBLEMS journal January 2012
Use of paired simple and complex models to reduce predictive bias and quantify uncertainty: PAIRED SIMPLE AND COMPLEX MODELS journal December 2011
Towards a comprehensive assessment of model structural adequacy: ASSESSMENT OF MODEL STRUCTURAL ADEQUACY journal August 2012
Estimating effective model parameters for heterogeneous unsaturated flow using error models for bias correction: PARAMETER ESTIMATION USING ERROR MODELS journal June 2012
Linking statistical bias description to multiobjective model calibration: STATISTICAL DESCRIPTION OF BIAS journal September 2012
Review of surrogate modeling in water resources: REVIEW journal July 2012
Measuring the impact of COVID-19 vaccine misinformation on vaccination intent in the UK and USA journal February 2021
miRNALoc: predicting miRNA subcellular localizations based on principal component scores of physico-chemical properties and pseudo compositions of di-nucleotides journal September 2020
Markov Chain Monte Carlo Convergence Diagnostics: A Comparative Review journal June 1996
A philosophical basis for hydrological uncertainty journal May 2016
Learning about physical parameters: the importance of model discrepancy journal October 2014
Predicting the output from a complex computer code when fast approximations are available journal March 2000
The Nature Of Statistical Learning Theory~ journal November 1997
Bayesian calibration of computer models journal August 2001
Use of Machine Learning Methods to Reduce Predictive Error of Groundwater Models journal May 2013
Support vector machines (SVMs) for monitoring network design journal May 2005
LIBSVM: A library for support vector machines journal April 2011
Bayesian Calibration and Uncertainty Analysis for Computationally Expensive Models Using Optimization and Radial Basis Function Approximation journal June 2008
Inference from Iterative Simulation Using Multiple Sequences journal November 1992
Accelerating Markov Chain Monte Carlo Simulation by Differential Evolution with Self-Adaptive Randomized Subspace Sampling journal January 2009
A theory for modeling ground-water flow in heterogeneous media report January 2004
Bayesian Kernel Methods: Applications in Medical Diagnosis Decision-Making Processes (A Case Study) journal January 2021
A Stochastic Collocation Approach to Bayesian Inference in Inverse Problems journal January 2009
Bayesian Kernel Methods book January 2018

Cited By (12)

Improving Robustness of Hydrologic Ensemble Predictions Through Probabilistic Pre‐ and Post‐Processing in Sequential Data Assimilation journal March 2018
Evaluation of Land Surface Subprocesses and Their Impacts on Model Performance With Global Flux Data journal May 2019
Inverse Modeling of Hydrologic Systems with Adaptive Multifidelity Markov Chain Monte Carlo Simulations journal July 2018
Surrogate‐Based Bayesian Inverse Modeling of the Hydrological System: An Adaptive Approach Considering Surrogate Approximation Error journal January 2020
What We Talk About When We Talk About Uncertainty. Toward a Unified, Data-Driven Framework for Uncertainty Characterization in Hydrogeology journal June 2019
A Brief Review of Random Forests for Water Scientists and Practitioners and Their Recent History in Water Resources journal April 2019
Estimating time-dependent vegetation biases in the SMAP soil moisture product text January 2018
Inverse modeling of hydrologic systems with adaptive multi-fidelity Markov chain Monte Carlo simulations preprint January 2017
Surrogate-Based Bayesian Inverse Modeling of the Hydrological System: An Adaptive Approach Considering Surrogate Approximation Error text January 2018
Evaluation of terrestrial pan-Arctic carbon cycling using a data-assimilation system journal January 2019
Estimating time-dependent vegetation biases in the SMAP soil moisture product posted_content February 2018
Estimating time-dependent vegetation biases in the SMAP soil moisture product journal January 2018