Climate change and air pollution are emerging topics due to their possible enormous implications for health and social perspectives. In recent years, tropospheric ozone has been recognized as an important greenhouse gas and pollutant that is detrimental to human health, agriculture, and natural ecosystems, and has shown a trend of increasing interest. Machine-learning-based approaches have been widely applied to the estimation of tropospheric ozone concentrations, but few studies have included tropospheric ozone profiles. This study aimed to predict the Northern Hemisphere distribution of Lower-Stratosphere-to-Troposphere (LST) ozone at a pressure of 100 hPa to the near surface by employing a deep learning Long Short-Term Memory (LSTM) model. We referred to a history of all the observed parameters (meteorological data of European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5), satellite data, and the ozone profiles of the World Ozone and Ultraviolet Data Center (WOUDC)) between 2014 and 2018 for training the predictive models. Model–measurement comparisons for the monitoring sites of WOUDC for the period 2019–2020 show that the mean correlation coefficients (R²) in the Northern Hemisphere at high latitude (NH), Northern Hemisphere at middle latitude (NM), and Northern Hemisphere at low latitude (NL) are 0.928, 0.885, and 0.590, respectively, indicating reasonable performance for the LSTM forecasting model. To improve the performance of the model, we applied the LSTM migration models to the Civil Aircraft for the Regular Investigation of the Atmosphere Based on an Instrument Container (CARIBIC) flights in the Northern Hemisphere from 2018 to 2019 and three urban agglomerations (the Sichuan Basin (SCB), North China Plain (NCP), and Yangtze River Delta region (YRD)) between 2018 and 2019. The results show that our models performed well on the CARIBIC data set, with a high R² equal to 0.754. The daily and monthly surface ozone concentrations for 2018–2019 in the three urban agglomerations were estimated from meteorological and ancillary variables. Our results suggest that the LSTM models can accurately estimate the monthly surface ozone concentrations in the three clusters, with relatively high coefficients of 0.815–0.889, root mean square errors (RMSEs) of 7.769–8.729 ppb, and mean absolute errors (MAEs) of 6.111–6.930 ppb. The daily scale performance was not as high as the monthly scale performance, with the accuracy of R² = 0.636~0.737, RMSE = 14.543–16.916 ppb, MAE = 11.130–12.687 ppb. In general, the trained module based on LSTM is robust and can capture the variation of the atmospheric ozone distribution. Moreover, it also contributes to our understanding of the mechanism of air pollution, especially increasing our comprehension of pollutant areas.

Quantifying spatiotemporal polar ozone changes can promote our understanding of global stratospheric ozone depletion, polar ozone-related chemical processes, and atmospheric dynamics. By means of ground-level measurements, satellite observations, and re-analyzed meteorology, the global spatial and temporal distribution characteristics of the total column ozone (TCO) and ozone profile can be quantitatively described. In this study, we evaluated the ozone datasets from CrIS/NOAA20, AIRS/Aqua, and ERA5/ECWMF for their performance in polar regions in 2020, along with the in situ observations of the Dobson, Brewer, and ozonesonde instruments, which are regarded as benchmarks. The results showed that the ERA5 reanalysis ozone field had good consistency with the ground observations (R > 0.95) and indicated whether the TCO or ozone profile was less affected by the site location. In contrast, both CrIS and AIRS could capture the ozone loss process resulting from the Antarctic/Arctic ozone hole at a monthly scale, but their ability to characterize the Arctic ozone hole was weaker than in the Antarctic. Specifically, the TCO values derived from AIRS were apparently higher in March 2020 than those of ERA5, which made it difficult to assess the area and depth of the ozone hole during this period. Moreover, the pattern of CrIS TCO was abnormal and tended to deviate from the pattern that characterized ERA5 and AIRS at the Alert site during the Arctic ozone loss process in 2020, which demonstrates that CrIS ozone products have limited applicability at this ground site. Furthermore, the validation of the ozone profile shows that AIRS and CrIS do not have good vertical representation in the polar regions and are not able to characterize the location and depth of ozone depletion. Overall, the results reveal the shortcomings of the ozone profiles derived from AIRS and CrIS observations and the reliability of the ERA5 reanalysis ozone field in polar applications. A more suitable prior method and detection sensitivity improvement on CrIS and AIRS ozone products would improve their reliability and applicability in polar regions.

The Cross-track Infrared Sounder (CrIS) aboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite is a spaceborne Fourier transform infrared spectrometer. The study aims to retrieve carbon dioxide (CO₂) information (the CO₂ profile and column-averaged dry-air mole fraction of XCO₂) from June 2018 to December 2019 based on the The National Oceanic and Atmospheric Administration (NOAA)-Unique Combined Atmospheric Processing System (NUCAPS) Cloud-Cleared Radiances (CCRs) via the CrIS. The CCRs products for the CrIS with 2223 channels have been available since 22 May 2018. Characteristics of the CO₂ weighting functions inform the choice of multiple channels that are around 15 μm in size that differ by latitude and season to maximize retrieval sensitivity to CO₂ and minimize sensitivity to other interfering atmospheric parameters. CO₂ was retrieved from these channels using an adopted nonlinear optimization algorithm. The temperature, water vapor, and ozone profiles used in the inversion process were gathered from the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5). Validations of CO₂ concentrations as retrieved from CrIS showed the following conclusions: (1) The relative error of the retrieved CO₂ concentrations, as compared to Civil Aircraft for the Regular Investigation of the atmosphere Based on an Instrument Container (CARIBIC) in situ aircraft measurements, was less than 0.5%, and the root mean square errors (RMSE) were less than 0.7 ppmv (with correlation coefficients of 0.56–0.86); (2) the retrieved XCO₂ from June 2018 to December 2019 correlated well with the ground-based Total Carbon Column Observing Network (TCCON) observations, and the differences were within ±0.2 ppmv. Further analysis of the temporal and spatial distribution of the retrieved CO₂ at 300 hPa demonstrated a strong seasonal variation of CO₂ in 0–60° N in the Northern Hemisphere with the maximum values in June–August and larger amplitudes of seasonal variation in the northeast of Asia and northeastern part of North America. The variations likely occurred due to larger sinks of atmospheric CO₂ that are dominated by CO₂ uptake in the summer. In the Southern Hemisphere, the CO₂ displayed high concentration anomalies in the latitudinal range of 30–60° S in September–November and December–February, which probably occurred due to the lofted smoke plumes from the strong fire seasons in South America and Southern Africa.

Global temperatures are continuing to rise as atmospheric carbon dioxide (CO₂) concentrations increase, and climate warming has become a major challenge to global sustainable development. The Cross-Track Infrared Sounder (CrIS) instrument is a Fourier transform spectrometer with 0.625 cm⁻¹ spectral resolution covering a 15 μm CO₂-absorbing band, providing a way of monitoring CO₂ with on a large scale twice a day. This paper proposes a method to predict the concentration of column-averaged CO₂ (XCO₂) from thermal infrared satellite data using ensemble learning to avoid the iterative computations of radiative transfer models, which are necessary for optimization estimation (OE). The training data set is constructed with CrIS satellite data, European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5) meteorological parameters, and ground-based observations. The training set was processed using two methods: correlation significance analysis (abbreviated as CSA) and principal component analysis (PCA). Extreme Gradient Boosters (XGBoost), Extreme Random Trees (ERT), and Gradient Boost Regression Tree (GBRT) are used for training and learning to develop the new retrieval model. The results showed that the R² of XCO₂ prediction built from the PCA dataset was bigger than that from the CSA dataset. These three learning models were verified by validation sets, and the ERT model showed the best agreement between model predictions and the truth (R² = 0.9006, RMSE = 0.7994 ppmv, MAE = 0.5804 ppmv). The ERT model was finally selected to estimate the concentrations of XCO₂. The deviation of XCO₂ predictions of 12 TCCON sites in 2019 was within ±1 ppm. The monthly averages of XCO₂ concentrations in close agreement with TCCON ground observations were grouped into four regions: Asia (R² = 0.9671, RMSE = 0.7072 ppmv), Europe (R² = 0.9703, RMSE = 0.8733 ppmv), North America (R² = 0.9800, RMSE = 0.6187 ppmv), and Oceania (R² = 0.9558, RMSE = 0.4614 ppmv).

This study utilized an infrared spotlight Hyperspectral infrared Atmospheric Sounder (HIRAS) and the Medium Resolution Spectral Imager (MERSI) mounted on FY3D cloud products from the National Satellite Meteorological Center of China to obtain methane profile information. Methane inversion channels near 7.7 μm were selected based on the different distribution of methane weighting functions across different seasons and latitudes, and the selected retrieval channels had a great sensitivity to methane but not to other parameters. The optimization method was employed to retrieve methane profiles using these channels. The ozone profiles, temperature, and water vapor of the European Centre for Medium-Range Weather Forecasts (ECMWF) fifth-generation reanalysis data (ERA5) were applied to the retrieval process. After validating the methane profile concentrations retrieved by HIRAS, the following conclusions were drawn: (1) compared with Civil Aircraft for the Regular Investigation of the Atmosphere Based on an Instrument Container (CARIBIC) flight data, the average correlation coefficient, relative difference, and root mean square error were 0.73, 0.0491, and 18.9 ppbv, respectively, with lower relative differences and root mean square errors in low-latitude regions than in mid-latitude regions. (2) The methane profiles retrieved from May 2019 to September 2021 showed an average error within 60 ppbv compared with the Fourier transform infrared spectrometer (FTIR) station observations of the Infrared Working Group (IRWG) of the Network for the Detection of Atmospheric Composition Change (NDACC). The errors between the a priori and retrieved values, as well as between the retrieved and smoothed values, were larger by around 400–500 hPa. Apart from Toronto and Alzomoni, which had larger peak values in autumn and spring respectively, the mean column averaging kernels typically has a larger peak in summer.

Precisely measuring the concentration profile of ozone (O₃) in the troposphere is a necessary prerequisite for studying its climatic and environmental effects and for effectively preventing photochemical pollution. Currently, thermal infrared satellite sensors mainly utilize the absorption characteristics of ozone near 9.6 μm to retrieve the O₃ profile. However, the retrieval of the O₃ profile is an ill-posed problem, and it is necessary to introduce a priori ozone information as a constraint to expand the solvable domain of the underdetermined problem. Therefore, the a priori ozone profile is crucial for the retrieval accuracy. Moreover, because tropospheric O₃ accounts for only about 10% of the total atmospheric ozone, the detectable signals and information content from thermal infrared observations are extremely limited, making it necessary to enhance the degrees of freedom and accuracy of tropospheric ozone retrievals. In this study, tropospheric ozone profiles are retrieved using the Cross-track Infrared Sounder (CrIS) thermal infrared hyperspectral imager aboard the Suomi-NPP satellite. By comparing ozone profiles obtained from a Long Short-Term Memory (LSTM) model, the Empirical Orthogonal Function (EOF) method, the ERA5 ozone reanalysis data, and the radiosonde data, the results show that the ozone profiles obtained from the model established by the LSTM-based a priori are closer to the true vertical distribution of tropospheric ozone. To further improve retrieval accuracy, the total ozone column amount from the Ozone Mapping and Profiler Suite (OMPS) ultraviolet payload on the same satellite platform is incorporated to redefine the cost function within the optimal estimation framework. The retrieval model is verified using the ozone radiosonde data from the World Ozone and Ultraviolet Radiation Data Centre (WOUDC), and results are compared with retrievals that exclude the OMPS constraint. The results indicate that the retrieval results with the constraint of the total ozone column amount have a smaller relative error compared to the retrieval results without the constraint.