Articles | Volume 15, issue 4
https://doi.org/10.5194/gmd-15-1677-2022
https://doi.org/10.5194/gmd-15-1677-2022
Development and technical paper
 | 
25 Feb 2022
Development and technical paper |  | 25 Feb 2022

A machine-learning-guided adaptive algorithm to reduce the computational cost of integrating kinetics in global atmospheric chemistry models: application to GEOS-Chem versions 12.0.0 and 12.9.1

Lu Shen, Daniel J. Jacob, Mauricio Santillana, Kelvin Bates, Jiawei Zhuang, and Wei Chen

Related authors

High-resolution US methane emissions inferred from an inversion of 2019 TROPOMI satellite data: contributions from individual states, urban areas, and landfills
Hannah Nesser, Daniel J. Jacob, Joannes D. Maasakkers, Alba Lorente, Zichong Chen, Xiao Lu, Lu Shen, Zhen Qu, Melissa P. Sulprizio, Margaux Winter, Shuang Ma, A. Anthony Bloom, John R. Worden, Robert N. Stavins, and Cynthia A. Randles
Atmos. Chem. Phys., 24, 5069–5091, https://doi.org/10.5194/acp-24-5069-2024,https://doi.org/10.5194/acp-24-5069-2024, 2024
Short summary
Continuous weekly monitoring of methane emissions from the Permian Basin by inversion of TROPOMI satellite observations
Daniel J. Varon, Daniel J. Jacob, Benjamin Hmiel, Ritesh Gautam, David R. Lyon, Mark Omara, Melissa Sulprizio, Lu Shen, Drew Pendergrass, Hannah Nesser, Zhen Qu, Zachary R. Barkley, Natasha L. Miles, Scott J. Richardson, Kenneth J. Davis, Sudhanshu Pandey, Xiao Lu, Alba Lorente, Tobias Borsdorff, Joannes D. Maasakkers, and Ilse Aben
Atmos. Chem. Phys., 23, 7503–7520, https://doi.org/10.5194/acp-23-7503-2023,https://doi.org/10.5194/acp-23-7503-2023, 2023
Short summary
Satellite quantification of methane emissions and oil–gas methane intensities from individual countries in the Middle East and North Africa: implications for climate action
Zichong Chen, Daniel J. Jacob, Ritesh Gautam, Mark Omara, Robert N. Stavins, Robert C. Stowe, Hannah Nesser, Melissa P. Sulprizio, Alba Lorente, Daniel J. Varon, Xiao Lu, Lu Shen, Zhen Qu, Drew C. Pendergrass, and Sarah Hancock
Atmos. Chem. Phys., 23, 5945–5967, https://doi.org/10.5194/acp-23-5945-2023,https://doi.org/10.5194/acp-23-5945-2023, 2023
Short summary
Satellite quantification of oil and natural gas methane emissions in the US and Canada including contributions from individual basins
Lu Shen, Ritesh Gautam, Mark Omara, Daniel Zavala-Araiza, Joannes D. Maasakkers, Tia R. Scarpelli, Alba Lorente, David Lyon, Jianxiong Sheng, Daniel J. Varon, Hannah Nesser, Zhen Qu, Xiao Lu, Melissa P. Sulprizio, Steven P. Hamburg, and Daniel J. Jacob
Atmos. Chem. Phys., 22, 11203–11215, https://doi.org/10.5194/acp-22-11203-2022,https://doi.org/10.5194/acp-22-11203-2022, 2022
Short summary
Methane emissions from China: a high-resolution inversion of TROPOMI satellite observations
Zichong Chen, Daniel J. Jacob, Hannah Nesser, Melissa P. Sulprizio, Alba Lorente, Daniel J. Varon, Xiao Lu, Lu Shen, Zhen Qu, Elise Penn, and Xueying Yu
Atmos. Chem. Phys., 22, 10809–10826, https://doi.org/10.5194/acp-22-10809-2022,https://doi.org/10.5194/acp-22-10809-2022, 2022
Short summary

Related subject area

Atmospheric sciences
Impact of multiple radar wind profiler data assimilation on convective-scale short-term rainfall forecasts: OSSE studies over the Beijing–Tianjin–Hebei region
Juan Zhao, Jianping Guo, and Xiaohui Zheng
Geosci. Model Dev., 18, 4075–4101, https://doi.org/10.5194/gmd-18-4075-2025,https://doi.org/10.5194/gmd-18-4075-2025, 2025
Short summary
New submodel for emissions from Explosive Volcanic ERuptions (EVER v1.1) within the Modular Earth Submodel System (MESSy, version 2.55.1)
Matthias Kohl, Christoph Brühl, Jennifer Schallock, Holger Tost, Patrick Jöckel, Adrian Jost, Steffen Beirle, Michael Höpfner, and Andrea Pozzer
Geosci. Model Dev., 18, 3985–4007, https://doi.org/10.5194/gmd-18-3985-2025,https://doi.org/10.5194/gmd-18-3985-2025, 2025
Short summary
Quantifying the oscillatory evolution of simulated boundary-layer cloud fields using Gaussian process regression
Gunho Loren Oh and Philip H. Austin
Geosci. Model Dev., 18, 3921–3940, https://doi.org/10.5194/gmd-18-3921-2025,https://doi.org/10.5194/gmd-18-3921-2025, 2025
Short summary
Numerical investigations on the modelling of ultrafine particles in SSH-aerosol-v1.3a: size resolution and redistribution
Oscar Jacquot and Karine Sartelet
Geosci. Model Dev., 18, 3965–3984, https://doi.org/10.5194/gmd-18-3965-2025,https://doi.org/10.5194/gmd-18-3965-2025, 2025
Short summary
The third Met Office Unified Model–JULES Regional Atmosphere and Land Configuration, RAL3
Mike Bush, David L. A. Flack, Huw W. Lewis, Sylvia I. Bohnenstengel, Chris J. Short, Charmaine Franklin, Adrian P. Lock, Martin Best, Paul Field, Anne McCabe, Kwinten Van Weverberg, Segolene Berthou, Ian Boutle, Jennifer K. Brooke, Seb Cole, Shaun Cooper, Gareth Dow, John Edwards, Anke Finnenkoetter, Kalli Furtado, Kate Halladay, Kirsty Hanley, Margaret A. Hendry, Adrian Hill, Aravindakshan Jayakumar, Richard W. Jones, Humphrey Lean, Joshua C. K. Lee, Andy Malcolm, Marion Mittermaier, Saji Mohandas, Stuart Moore, Cyril Morcrette, Rachel North, Aurore Porson, Susan Rennie, Nigel Roberts, Belinda Roux, Claudio Sanchez, Chun-Hsu Su, Simon Tucker, Simon Vosper, David Walters, James Warner, Stuart Webster, Mark Weeks, Jonathan Wilkinson, Michael Whitall, Keith D. Williams, and Hugh Zhang
Geosci. Model Dev., 18, 3819–3855, https://doi.org/10.5194/gmd-18-3819-2025,https://doi.org/10.5194/gmd-18-3819-2025, 2025
Short summary

Cited articles

Bates, K. H. and Jacob, D. J.: A new model mechanism for atmospheric oxidation of isoprene: global effects on oxidants, nitrogen oxides, organic products, and secondary organic aerosol, Atmos. Chem. Phys., 19, 9613–9640, https://doi.org/10.5194/acp-19-9613-2019, 2019. 
Brasseur, G. P. and Jacob, D. J.: Modeling of atmospheric chemistry, Cambridge University Press, 2017. 
Brown-Steiner, B., Selin, N. E., Prinn, R., Tilmes, S., Emmons, L., Lamarque, J.-F., and Cameron-Smith, P.: Evaluating simplified chemical mechanisms within present-day simulations of the Community Earth System Model version 1.2 with CAM4 (CESM1.2 CAM-chem): MOZART-4 vs. Reduced Hydrocarbon vs. Super-Fast chemistry, Geosci. Model Dev., 11, 4155–4174, https://doi.org/10.5194/gmd-11-4155-2018, 2018. 
Damian, V., Sandu, A., Damian, M., Potra, F., and Carmichael, G. R.: The kinetic preprocessor KPP – a software environment for solving chemical kinetics, Comput. Chem. Eng., 26, 1567–1579, 2002. 
Eastham, S. D., Weisenstein, D. K., and Barrett, S. R. H.: Development and evaluation of the unified tropospheric– stratospheric chemistry extension (UCX) for the global chemistry-transport model GEOS-Chem, Atmos. Environ., 89, 52–63, https://doi.org/10.1016/j.atmosenv.2014.02.001, 2014. 
Short summary
The high computational cost of chemical integration is a long-standing limitation in global atmospheric chemistry models. Here we present an adaptive and efficient algorithm that can reduce the computational time of atmospheric chemistry by 50 % and maintain the error below 2 % for important species, inspired by machine learning clustering techniques and traditional asymptotic analysis ideas.
Share