Accurately monitoring atmospheric carbon dioxide (CO2) concentrations is essential for understanding the carbon cycle and formulating effective emission reduction policies. Although satellite remote sensing has achieved notable progress in retrieving column-averaged CO2 (XCO2), challenges such as data discontinuity and limited spatial resolution persist. To address these issues, we propose a novel spatiotemporal reconstruction framework—GAM-Optuna-ERT—which integrates the Generalized Additive Model (GAM), Extremely Randomized Trees (ERT), and the Bayesian hyperparameter optimization tool Optuna. GAM captures the temporal and spatial variation trends of XCO2 and provides an initial background estimation; the ERT model effectively learns complex interactions among high-dimensional features to enhance prediction accuracy; Optuna automates hyperparameter tuning, thereby improving model robustness. Using OCO-2 satellite observations in conjunction with multi-source driving variables—including meteorological factors, vegetation indices, carbon emission inventories, and population density—we reconstruct monthly, seasonal, and annual XCO2 distributions over mainland China from 2015 to 2020 at a spatial resolution of 0.05° × 0.05°. Validation against TCCON, WDCGG, and CAMS datasets demonstrates the model's high accuracy and stability. Furthermore, quantitative analysis using the Geodetector method reveals that the synergistic effects of vegetation photosynthesis and anthropogenic activities are key drivers of the spatial heterogeneity in XCO2. This study provides a technical foundation for high-resolution XCO2 reconstruction and offers strong support for carbon monitoring and policymaking under China's “dual carbon” strategy.
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