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Using Machine Learning to Estimate Surface-Level SO2 Concentrations from Satellite-Based Measurements

Sulfur dioxide (SO2) is a criteria air pollutant due to its contributions to aerosol formation, rainfall acidification, and harm to human health. The placement of air quality monitoring sites is typically biased towards urban areas, leaving large areas with very limited monitoring data. The Ozone Monitoring Instrument (OMI) has been used to provide estimates of SO2 vertical column densities (VCDs) globally at spatial resolution of 10s of kms once per day. OMI SO2 VCDs have been previously used to estimate surface SO2 concentrations using chemical transport model (CTM) simulations. The CTMs use estimated emissions and assimilated meteorological data, and simulate the chemical and physical processes that determine the vertical profile of SO2, which can be used to derive a ratio between the surface concentrations and VCDs. These models are complex, computationally expensive, and have large uncertainties in the simulated surface-to-VCD ratio due to biases in emissions and relatively coarse resolution. Machine learning techniques are comparatively easier to use, much less computationally expensive to use after training, and can produce more accurate estimations of surface concentrations than the CTM-based method. The interpretation of machine learning models often poses challenges, and in some cases, non-physical variables unrelated to SO2 are used as predictors. In this work, we create an artificial neural network (ANN) to relate OMI retrievals and archived GEOS-FP boundary layer heights to surface SO2 concentrations from the ChinaHighAirPollutants ChinaHighSO2 dataset (CHAP; Wei et al., 2023) on a seasonal average timescale from 2013-2018. Our model only utilizes five variables that are directly relevant to the satellite retrieval, lifetime, and spatial distribution of SO2. The model was trained on 16 seasons (four of each) with independent validation (one of each season) and testing datasets (one of each season) to avoid overfitting. Our ANN generates surface SO2 concentrations that are sensitive (slope = 0.51) and consistent (r = 0.74) with the CHAP data, but are underpredicted by an average of 1.2 ppbv with a mean absolute error of 2.2 ppbv. These results are better than recent studies utilizing the CTM method. To our knowledge, this is the best performing machine learning model that only uses physical variables to predict surface SO2. Our work demonstrates that a carefully constructed, simple ML model can accurately estimate surface-based SO2 concentrations from satellite VCD measurements, and this technique has future promise to expend to newer, higher resolution satellites and other air pollutants.

SO2, air quality, OMI, machine learning↗

NASA NTRS2022

A New Machine Learning Based Analysis for Improving Satellite Retrieved Atmospheric Composition Data: OMI SO2 as an Example

Despite recent progress, satellite retrievals of anthropogenic SO2 still suffer from relatively low signal-tonoise ratios. In this study, we demonstrate a new machine learning data analysis method to improve the quality of satellite SO2 products. In the absence of large ground-truth datasets for SO2, we start from SO2 slant column densities (SCDs) retrieved from the Ozone Monitoring Instrument (OMI) using a data-driven, physically based algorithm and calculate the ratio between the SCD and the root mean square (rms) of the fitting residuals for each pixel. To build the training data, we select presumably clean pixels with small SCD / rms ratios (SRRs) and set their target SCDs to zero. For polluted pixels with relatively large SRRs, we set the target to the original retrieved SCDs. We then train neural networks (NNs) to reproduce the target SCDs using predictors including SRRs for individual pixels, solar zenith, viewing zenith and phase angles, scene reflectivity, and O3 column amounts, as well as the monthly mean SRRs. For data analysis, we employ two NNs: (1) one trained daily to produce analyzed SO2 SCDs for polluted pixels each day and (2) the other trained once every month to produce analyzed SCDs for less polluted pixels for the entire month. Test results for 2005 show that our method can significantly reduce noise and artifacts over background regions. Over polluted areas, the monthly mean NN-analyzed and original SCDs generally agree to within ±15 %, indicating that our method can retain SO2 signals in the original retrievals except for large volcanic eruptions. This is further confirmed by running both the NN-analyzed and original SCDs through a topdown emission algorithm to estimate the annual SO2 emissions for ∼ 500 anthropogenic sources, with the two datasets yielding similar results. We also explore two alternative approaches to the NN-based analysis method. In one, we employ a simple linear interpolation model to analyze the original SCD retrievals. In the other, we develop a PCA–NN algorithm that uses OMI measured radiances, transformed and dimension-reduced with a principal component analysis (PCA) technique, as inputs to NNs for SO2 SCD retrievals. While the linear model and the PCA–NN algorithm can reduce retrieval noise, they both underestimate SO2 over polluted areas. Overall, the results presented here demonstrate that our new data analysis method can significantly improve the quality of existing OMI SO2 retrievals. The method can potentially be adapted for other sensors and/or species and enhance the value of satellite data in air quality research and applications.

Can Li↗