Articles | Volume 19, issue 9
https://doi.org/10.5194/amt-19-3095-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-19-3095-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
11 May 2026
Research article |
| 11 May 2026
| 11 May 2026
A hybrid optimal estimation and machine learning approach to predict atmospheric composition
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
Kevin W. Bowman
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
Seungwon Lee
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
Joshua L. Laughner
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
Vivienne H. Payne
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
James L. McDuffie
Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
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Rafaella Chiarella, Matthias Buschmann, Joshua Laughner, Isamu Morino, Justus Notholt, Christof Petri, Geoffrey Toon, Voltaire A. Velazco, and Thorsten Warneke
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Frank Werner, Nathaniel J. Livesey, Luis F. Millán, William G. Read, Michael J. Schwartz, Paul A. Wagner, William H. Daffer, Alyn Lambert, Sasha N. Tolstoff, and Michelle L. Santee
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We describe a retrieval algorithm for determining limited information about the vertical distribution of carbon monoxide (CO) and carbon dioxide (CO2) from total column observations from ground-based observations. Our retrieved partial column values compare well with integrated in situ data. The average error for our retrieval is 1.51 ppb (~ 2 %) for CO and 5.09 ppm (~ 1.25 %) for CO2. We anticipate that this approach will find broad application for use in carbon cycle science.
Yu Someya, Yukio Yoshida, Hirofumi Ohyama, Shohei Nomura, Akihide Kamei, Isamu Morino, Hitoshi Mukai, Tsuneo Matsunaga, Joshua L. Laughner, Voltaire A. Velazco, Benedikt Herkommer, Yao Té, Mahesh Kumar Sha, Rigel Kivi, Minqiang Zhou, Young Suk Oh, Nicholas M. Deutscher, and David W. T. Griffith
Atmos. Meas. Tech., 16, 1477–1501, https://doi.org/10.5194/amt-16-1477-2023, https://doi.org/10.5194/amt-16-1477-2023, 2023
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The updated retrieval algorithm for the Greenhouse gases Observing SATellite level 2 product is presented. The main changes in the algorithm from the previous one are the treatment of cirrus clouds, the degradation model of the sensor, solar irradiance, and gas absorption coefficient tables. The retrieval results showed improvements in fitting accuracy and an increase in the data amount over land. On the other hand, there are still large biases of XCO2 which should be corrected over the ocean.
Cameron G. MacDonald, Jon-Paul Mastrogiacomo, Joshua L. Laughner, Jacob K. Hedelius, Ray Nassar, and Debra Wunch
Atmos. Chem. Phys., 23, 3493–3516, https://doi.org/10.5194/acp-23-3493-2023, https://doi.org/10.5194/acp-23-3493-2023, 2023
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We use three satellites measuring carbon dioxide (CO2), carbon monoxide (CO) and nitrogen dioxide (NO2) to calculate atmospheric enhancements of these gases from 27 urban areas. We calculate enhancement ratios between the species and compare those to ratios derived from four globally gridded anthropogenic emission inventories. We find that the global inventories generally underestimate CO emissions in many North American and European cities relative to our observed enhancement ratios.
Nasrin Mostafavi Pak, Jacob K. Hedelius, Sébastien Roche, Liz Cunningham, Bianca Baier, Colm Sweeney, Coleen Roehl, Joshua Laughner, Geoffrey Toon, Paul Wennberg, Harrison Parker, Colin Arrowsmith, Joseph Mendonca, Pierre Fogal, Tyler Wizenberg, Beatriz Herrera, Kimberly Strong, Kaley A. Walker, Felix Vogel, and Debra Wunch
Atmos. Meas. Tech., 16, 1239–1261, https://doi.org/10.5194/amt-16-1239-2023, https://doi.org/10.5194/amt-16-1239-2023, 2023
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Ground-based remote sensing instruments in the Total Carbon Column Observing Network (TCCON) measure greenhouse gases in the atmosphere. Consistency between TCCON measurements is crucial to accurately infer changes in atmospheric composition. We use portable remote sensing instruments (EM27/SUN) to evaluate biases between TCCON stations in North America. We also improve the retrievals of EM27/SUN instruments and evaluate the previous (GGG2014) and newest (GGG2020) retrieval algorithms.
Joshua L. Laughner, Sébastien Roche, Matthäus Kiel, Geoffrey C. Toon, Debra Wunch, Bianca C. Baier, Sébastien Biraud, Huilin Chen, Rigel Kivi, Thomas Laemmel, Kathryn McKain, Pierre-Yves Quéhé, Constantina Rousogenous, Britton B. Stephens, Kaley Walker, and Paul O. Wennberg
Atmos. Meas. Tech., 16, 1121–1146, https://doi.org/10.5194/amt-16-1121-2023, https://doi.org/10.5194/amt-16-1121-2023, 2023
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Observations using sunlight to measure surface-to-space total column of greenhouse gases in the atmosphere need an initial guess of the vertical distribution of those gases to start from. We have developed an approach to provide those initial guess profiles that uses readily available meteorological data as input. This lets us make these guesses without simulating them with a global model. The profiles generated this way match independent observations well.
Brendan Byrne, David F. Baker, Sourish Basu, Michael Bertolacci, Kevin W. Bowman, Dustin Carroll, Abhishek Chatterjee, Frédéric Chevallier, Philippe Ciais, Noel Cressie, David Crisp, Sean Crowell, Feng Deng, Zhu Deng, Nicholas M. Deutscher, Manvendra K. Dubey, Sha Feng, Omaira E. García, David W. T. Griffith, Benedikt Herkommer, Lei Hu, Andrew R. Jacobson, Rajesh Janardanan, Sujong Jeong, Matthew S. Johnson, Dylan B. A. Jones, Rigel Kivi, Junjie Liu, Zhiqiang Liu, Shamil Maksyutov, John B. Miller, Scot M. Miller, Isamu Morino, Justus Notholt, Tomohiro Oda, Christopher W. O'Dell, Young-Suk Oh, Hirofumi Ohyama, Prabir K. Patra, Hélène Peiro, Christof Petri, Sajeev Philip, David F. Pollard, Benjamin Poulter, Marine Remaud, Andrew Schuh, Mahesh K. Sha, Kei Shiomi, Kimberly Strong, Colm Sweeney, Yao Té, Hanqin Tian, Voltaire A. Velazco, Mihalis Vrekoussis, Thorsten Warneke, John R. Worden, Debra Wunch, Yuanzhi Yao, Jeongmin Yun, Andrew Zammit-Mangion, and Ning Zeng
Earth Syst. Sci. Data, 15, 963–1004, https://doi.org/10.5194/essd-15-963-2023, https://doi.org/10.5194/essd-15-963-2023, 2023
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Changes in the carbon stocks of terrestrial ecosystems result in emissions and removals of CO2. These can be driven by anthropogenic activities (e.g., deforestation), natural processes (e.g., fires) or in response to rising CO2 (e.g., CO2 fertilization). This paper describes a dataset of CO2 emissions and removals derived from atmospheric CO2 observations. This pilot dataset informs current capabilities and future developments towards top-down monitoring and verification systems.
Madison J. Shogrin, Vivienne H. Payne, Susan S. Kulawik, Kazuyuki Miyazaki, and Emily V. Fischer
Atmos. Chem. Phys., 23, 2667–2682, https://doi.org/10.5194/acp-23-2667-2023, https://doi.org/10.5194/acp-23-2667-2023, 2023
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We evaluate the spatiotemporal variability of peroxy acyl nitrates (PANs), important photochemical pollutants, over Mexico City using satellite observations. PANs exhibit a seasonal cycle that maximizes in spring. Wildfires contribute to observed interannual variability, and the satellite indicates several areas of frequent outflow. Recent changes in NOx emissions are not accompanied by changes in PANs. This work demonstrates analysis approaches that can be applied to other megacities.
Tai-Long He, Dylan B. A. Jones, Kazuyuki Miyazaki, Kevin W. Bowman, Zhe Jiang, Xiaokang Chen, Rui Li, Yuxiang Zhang, and Kunna Li
Atmos. Chem. Phys., 22, 14059–14074, https://doi.org/10.5194/acp-22-14059-2022, https://doi.org/10.5194/acp-22-14059-2022, 2022
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We use a deep-learning (DL) model to estimate Chinese NOx emissions by combining satellite analysis and in situ measurements. Our results are consistent with conventional analyses of Chinese NOx emissions. Comparison with mobility data shows that the DL model has a better capability to capture changes in NOx. We analyse Chinese NOx emissions during the COVID-19 pandemic lockdown period. Our results illustrate the potential use of DL as a complementary tool for conventional air quality studies.
Brendan Byrne, Junjie Liu, Yonghong Yi, Abhishek Chatterjee, Sourish Basu, Rui Cheng, Russell Doughty, Frédéric Chevallier, Kevin W. Bowman, Nicholas C. Parazoo, David Crisp, Xing Li, Jingfeng Xiao, Stephen Sitch, Bertrand Guenet, Feng Deng, Matthew S. Johnson, Sajeev Philip, Patrick C. McGuire, and Charles E. Miller
Biogeosciences, 19, 4779–4799, https://doi.org/10.5194/bg-19-4779-2022, https://doi.org/10.5194/bg-19-4779-2022, 2022
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Plants draw CO2 from the atmosphere during the growing season, while respiration releases CO2 to the atmosphere throughout the year, driving seasonal variations in atmospheric CO2 that can be observed by satellites, such as the Orbiting Carbon Observatory 2 (OCO-2). Using OCO-2 XCO2 data and space-based constraints on plant growth, we show that permafrost-rich northeast Eurasia has a strong seasonal release of CO2 during the autumn, hinting at an unexpectedly large respiration signal from soils.
Helen M. Worden, Gene L. Francis, Susan S. Kulawik, Kevin W. Bowman, Karen Cady-Pereira, Dejian Fu, Jennifer D. Hegarty, Valentin Kantchev, Ming Luo, Vivienne H. Payne, John R. Worden, Róisín Commane, and Kathryn McKain
Atmos. Meas. Tech., 15, 5383–5398, https://doi.org/10.5194/amt-15-5383-2022, https://doi.org/10.5194/amt-15-5383-2022, 2022
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Satellite observations of global carbon monoxide (CO) are essential for understanding atmospheric chemistry and pollution sources. This paper describes a new data product using radiance measurements from the Cross-track Infrared Sounder (CrIS) instrument on the Suomi National Polar-orbiting Partnership (SNPP) satellite that provides vertical profiles of CO from single-field-of-view observations. We show how these satellite CO profiles compare to aircraft observations and evaluate their biases.
Min Huang, James H. Crawford, Gregory R. Carmichael, Kevin W. Bowman, Sujay V. Kumar, and Colm Sweeney
Atmos. Chem. Phys., 22, 7461–7487, https://doi.org/10.5194/acp-22-7461-2022, https://doi.org/10.5194/acp-22-7461-2022, 2022
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This study demonstrates that ozone dry-deposition modeling can be improved by revising the model's dry-deposition parameterizations to better represent the effects of environmental conditions including the soil moisture fields. Applying satellite soil moisture data assimilation is shown to also have added value. Such advancements in coupled modeling and data assimilation can benefit the assessments of ozone impacts on human and vegetation health.
Vivienne H. Payne, Susan S. Kulawik, Emily V. Fischer, Jared F. Brewer, L. Gregory Huey, Kazuyuki Miyazaki, John R. Worden, Kevin W. Bowman, Eric J. Hintsa, Fred Moore, James W. Elkins, and Julieta Juncosa Calahorrano
Atmos. Meas. Tech., 15, 3497–3511, https://doi.org/10.5194/amt-15-3497-2022, https://doi.org/10.5194/amt-15-3497-2022, 2022
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We compare new satellite measurements of peroxyacetyl nitrate (PAN) with reference aircraft measurements from two different instruments flown on the same platform. While there is a systematic difference between the two aircraft datasets, both show the same large-scale distribution of PAN and the discrepancy between aircraft datasets is small compared to the satellite uncertainties. The satellite measurements show skill in capturing large-scale variations in PAN.
Vijay Natraj, Ming Luo, Jean-Francois Blavier, Vivienne H. Payne, Derek J. Posselt, Stanley P. Sander, Zhao-Cheng Zeng, Jessica L. Neu, Denis Tremblay, Longtao Wu, Jacola A. Roman, Yen-Hung Wu, and Leonard I. Dorsky
Atmos. Meas. Tech., 15, 1251–1267, https://doi.org/10.5194/amt-15-1251-2022, https://doi.org/10.5194/amt-15-1251-2022, 2022
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High-fidelity monitoring and forecast of air quality and the hydrological cycle require understanding the vertical distribution of temperature, humidity, and trace gases at high spatiotemporal resolution. We describe a new instrument concept, called the JPL GEO-IR Sounder, that would provide this information for the first time from a single instrument platform. Simulations demonstrate the benefits of combining measurements from multiple wavelengths for this purpose from geostationary orbit.
Jennifer D. Hegarty, Karen E. Cady-Pereira, Vivienne H. Payne, Susan S. Kulawik, John R. Worden, Valentin Kantchev, Helen M. Worden, Kathryn McKain, Jasna V. Pittman, Róisín Commane, Bruce C. Daube Jr., and Eric A. Kort
Atmos. Meas. Tech., 15, 205–223, https://doi.org/10.5194/amt-15-205-2022, https://doi.org/10.5194/amt-15-205-2022, 2022
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Carbon monoxide (CO) is produced by combustion of substances such as fossil fuels and plays an important role in atmospheric pollution and climate. We evaluated estimates of atmospheric CO derived from outgoing radiation measurements of the Atmospheric Infrared Sounder (AIRS) on a satellite orbiting the Earth against CO measurements from aircraft to show that these satellite measurements are reliable for continuous global monitoring of atmospheric CO concentrations.
Frank Werner, Nathaniel J. Livesey, Michael J. Schwartz, William G. Read, Michelle L. Santee, and Galina Wind
Atmos. Meas. Tech., 14, 7749–7773, https://doi.org/10.5194/amt-14-7749-2021, https://doi.org/10.5194/amt-14-7749-2021, 2021
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In this study we present an improved cloud detection scheme for the Microwave Limb Sounder, which is based on a feedforward artificial neural network. This new algorithm is shown not only to reliably detect high and mid-level convection containing even small amounts of cloud water but also to distinguish between high-reaching and mid-level to low convection.
Hartwig Deneke, Carola Barrientos-Velasco, Sebastian Bley, Anja Hünerbein, Stephan Lenk, Andreas Macke, Jan Fokke Meirink, Marion Schroedter-Homscheidt, Fabian Senf, Ping Wang, Frank Werner, and Jonas Witthuhn
Atmos. Meas. Tech., 14, 5107–5126, https://doi.org/10.5194/amt-14-5107-2021, https://doi.org/10.5194/amt-14-5107-2021, 2021
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The SEVIRI instrument flown on the European geostationary Meteosat satellites acquires multi-spectral images at a relatively coarse pixel resolution of 3 × 3 km2, but it also has a broadband high-resolution visible channel with 1 × 1 km2 spatial resolution. In this study, the modification of an existing cloud property and solar irradiance retrieval to use this channel to improve the spatial resolution of its output products as well as the resulting benefits for applications are described.
Min Huang, James H. Crawford, Joshua P. DiGangi, Gregory R. Carmichael, Kevin W. Bowman, Sujay V. Kumar, and Xiwu Zhan
Atmos. Chem. Phys., 21, 11013–11040, https://doi.org/10.5194/acp-21-11013-2021, https://doi.org/10.5194/acp-21-11013-2021, 2021
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This study evaluates the impact of satellite soil moisture data assimilation on modeled weather and ozone fields at various altitudes above the southeastern US during the summer. It emphasizes the importance of soil moisture in the understanding of surface ozone pollution and upper tropospheric chemistry, as well as air pollutants’ source–receptor relationships between the US and its downwind areas.
Zhe Jiang, Hongrong Shi, Bin Zhao, Yu Gu, Yifang Zhu, Kazuyuki Miyazaki, Xin Lu, Yuqiang Zhang, Kevin W. Bowman, Takashi Sekiya, and Kuo-Nan Liou
Atmos. Chem. Phys., 21, 8693–8708, https://doi.org/10.5194/acp-21-8693-2021, https://doi.org/10.5194/acp-21-8693-2021, 2021
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We use the COVID-19 pandemic as a unique natural experiment to obtain a more robust understanding of the effectiveness of emission reductions toward air quality improvement by combining chemical transport simulations and observations. Our findings imply a shift from current control policies in California: a strengthened control on primary PM2.5 emissions and a well-balanced control on NOx and volatile organic compounds are needed to effectively and sustainably alleviate PM2.5 and O3 pollution.
Astrid Müller, Hiroshi Tanimoto, Takafumi Sugita, Toshinobu Machida, Shin-ichiro Nakaoka, Prabir K. Patra, Joshua Laughner, and David Crisp
Atmos. Chem. Phys., 21, 8255–8271, https://doi.org/10.5194/acp-21-8255-2021, https://doi.org/10.5194/acp-21-8255-2021, 2021
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Over oceans, high uncertainties in satellite CO2 retrievals exist due to limited reference data. We combine commercial ship and aircraft observations and, with the aid of model calculations, obtain column-averaged mixing ratios of CO2 (XCO2) data over the Pacific Ocean. This new dataset has great potential as a robust reference for XCO2 measured from space and can help to better understand changes in the carbon cycle in response to climate change using satellite observations.
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Short summary
We developed a hybrid machine learning-optimal estimation retrieval system that efficiently and accurately mimics operational retrieval results. Crucially, this algorithm also predicts critical diagnostic variables including observation operators needed for comparison with independent data and ingestion into downstream chemical data assimilation models.
We developed a hybrid machine learning-optimal estimation retrieval system that efficiently and...
