Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case

In this study, we implemented an automated calibration procedure for an ecological model of the Curonian Lagoon, supported by a comprehensive two-year field observation dataset. Data from the second-year were used for model calibration, while first-year observations served for the validation of the...

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Main Authors: Burak Kaynaroglu, Mindaugas Zilius, Rasa Idzelytė, Artūras Razinkovas-Baziukas, Georg Umgiesser
Format: Article
Language:English
Published: Elsevier 2025-12-01
Series:Ecological Informatics
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Online Access:http://www.sciencedirect.com/science/article/pii/S1574954125002225
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author Burak Kaynaroglu
Mindaugas Zilius
Rasa Idzelytė
Artūras Razinkovas-Baziukas
Georg Umgiesser
author_facet Burak Kaynaroglu
Mindaugas Zilius
Rasa Idzelytė
Artūras Razinkovas-Baziukas
Georg Umgiesser
author_sort Burak Kaynaroglu
collection DOAJ
description In this study, we implemented an automated calibration procedure for an ecological model of the Curonian Lagoon, supported by a comprehensive two-year field observation dataset. Data from the second-year were used for model calibration, while first-year observations served for the validation of the model's performance in simulating nutrient dynamics. Calibration is essential for improving the accuracy and reliability of process-based ecological models. However, subjective and time-consuming manual (trial-and-error) calibration methods cannot ensure optimal parameter match.To address this, we automated the calibration of a newly developed ecological model to improve the simulation of nutrient dynamics as ammonia, nitrate, and phosphate in the estuarine system (Curonian Lagoon). Calibration was carried out using Parameter Estimation (PEST) and PEST++ tools, focusing on three aforementioned limiting nutrient forms. We applied the method of Morris for global sensitivity analysis to determine the key parameters influencing model behavior. As biogeochemical models are highly nonlinear and multimodal, global methods are often assumed to provide a better fit. However, we challenged this assumption by initiating the inverse problem at different locations in the parameter space using a robust variant of a gradient-based method, which ultimately resulted in a better fit than global methods.We tested four different optimization algorithms available in the PEST and PEST++ suites. The results demonstrated that PEST significantly improved model calibration performance followed the nutrient dynamics more effectively than more complex biogeochemical models for the Curonian Lagoon, and outperformed manual calibration methods. Furthermore, we employed an ensemble-based method within the PEST++ suite for parameter estimation and uncertainty quantification, significantly reducing the computational burden of these analyses.
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spelling doaj-art-dc896812d2d142ec8a422c91a57f01ee2025-08-20T05:05:06ZengElsevierEcological Informatics1574-95412025-12-019010321310.1016/j.ecoinf.2025.103213Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon caseBurak Kaynaroglu0Mindaugas Zilius1Rasa Idzelytė2Artūras Razinkovas-Baziukas3Georg Umgiesser4Marine Research Institute, Klaipeda University, Universiteto ave. 17, LT-92294, Klaipeda, Lithuania; Corresponding author.Marine Research Institute, Klaipeda University, Universiteto ave. 17, LT-92294, Klaipeda, LithuaniaMarine Research Institute, Klaipeda University, Universiteto ave. 17, LT-92294, Klaipeda, LithuaniaMarine Research Institute, Klaipeda University, Universiteto ave. 17, LT-92294, Klaipeda, LithuaniaMarine Research Institute, Klaipeda University, Universiteto ave. 17, LT-92294, Klaipeda, Lithuania; CNR-ISMAR - National Research Council of Italy, Marine Sciences Institute in Venice, Arsenale Castello, 2737/F, 30122 Venice, ItalyIn this study, we implemented an automated calibration procedure for an ecological model of the Curonian Lagoon, supported by a comprehensive two-year field observation dataset. Data from the second-year were used for model calibration, while first-year observations served for the validation of the model's performance in simulating nutrient dynamics. Calibration is essential for improving the accuracy and reliability of process-based ecological models. However, subjective and time-consuming manual (trial-and-error) calibration methods cannot ensure optimal parameter match.To address this, we automated the calibration of a newly developed ecological model to improve the simulation of nutrient dynamics as ammonia, nitrate, and phosphate in the estuarine system (Curonian Lagoon). Calibration was carried out using Parameter Estimation (PEST) and PEST++ tools, focusing on three aforementioned limiting nutrient forms. We applied the method of Morris for global sensitivity analysis to determine the key parameters influencing model behavior. As biogeochemical models are highly nonlinear and multimodal, global methods are often assumed to provide a better fit. However, we challenged this assumption by initiating the inverse problem at different locations in the parameter space using a robust variant of a gradient-based method, which ultimately resulted in a better fit than global methods.We tested four different optimization algorithms available in the PEST and PEST++ suites. The results demonstrated that PEST significantly improved model calibration performance followed the nutrient dynamics more effectively than more complex biogeochemical models for the Curonian Lagoon, and outperformed manual calibration methods. Furthermore, we employed an ensemble-based method within the PEST++ suite for parameter estimation and uncertainty quantification, significantly reducing the computational burden of these analyses.http://www.sciencedirect.com/science/article/pii/S1574954125002225Automated calibrationPESTParameter optimizationCuronian lagoonNutrient cycleEcological model
spellingShingle Burak Kaynaroglu
Mindaugas Zilius
Rasa Idzelytė
Artūras Razinkovas-Baziukas
Georg Umgiesser
Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
Ecological Informatics
Automated calibration
PEST
Parameter optimization
Curonian lagoon
Nutrient cycle
Ecological model
title Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
title_full Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
title_fullStr Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
title_full_unstemmed Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
title_short Simplifying the calibration of ecological models by using the parameter estimation tool (PEST): The Curonian Lagoon case
title_sort simplifying the calibration of ecological models by using the parameter estimation tool pest the curonian lagoon case
topic Automated calibration
PEST
Parameter optimization
Curonian lagoon
Nutrient cycle
Ecological model
url http://www.sciencedirect.com/science/article/pii/S1574954125002225
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