Abstract
To characterize complex biogeochemical systems, results from multiple experiments, where each targets a specific subprocess, are commonly combined. The resulting datasets are interpreted through the calibration of biogeochemical models for process inference and predictions. Commonly used calibration approaches of fitting datasets from individual experiments to subprocess models one at a time is prone to missing information shared between datasets and incomplete uncertainty propagation. We propose a Bayesian joint-fitting scheme addressing the above-mentioned concerns by jointly fitting all the available datasets, thus calibrating the entire biogeochemical model in one go using Markov Chain Monte Carlo (MCMC). The identification of null spaces in the parameter distributions from MCMC guided the simplification of certain subprocess models. For example, fast kinetic sorption was replaced by equilibrium sorption, and Monod demethylation was replaced by first-order demethylation. Joint fitting of datasets resulted in complete uncertainty propagation with parameter estimates informed by all available data.
Original language | English |
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Article number | 105453 |
Journal | Environmental Modelling and Software |
Volume | 155 |
DOIs | |
State | Published - Sep 2022 |
Funding
This work was funded by the U.S. Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research (SBR) Program, and is a product of the Critical Interfaces Science Focus Area (SFA) at ORNL and the IDEAS-Watersheds project. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory , which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725 . We thank the editor and anonymous reviewer for their constructive feedback on the paper.
Funders | Funder number |
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CADES | DE-AC05-00OR22725 |
Critical Interfaces Science Focus Area | |
Data Environment for Science | |
U.S. Department of Energy | |
Office of Science | |
Biological and Environmental Research | |
Oak Ridge National Laboratory | |
Southern Finance Association |
Keywords
- Bayesian inference
- Mercury methylation
- Parameter uncertainty
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Model-Data for Joint Estimation of Biogeochemical Model Parameters from Multiple Experiments: A Bayesian Approach Applied to Mercury Methylation
Rathore, S. (Creator) & Painter, S. (Creator), ORNLMSFA (Oak Ridge National Lab's Mercury Critical Interfaces Scientific Focus Area (ORNL MSFA)), Jul 7 2021
DOI: 10.12769/1805731
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