Abstract. Ground-level PM_2.5 data derived from satellites with machine learning are crucial for health and climate assessments, however, uncertainties persist due to the absence of spatially covered observations. To address this, we propose a novel testbed using untraditional numerical simulations to evaluate PM_2.5 estimation across the entire spatial domain. The testbed emulates the general machine-learning approach, by training the model with grids corresponding to ground monitor sites and subsequently testing its predictive accuracy for other locations. Our approach enables comprehensive evaluation of various machine-learning methods’ performance in estimating PM_2.5 across the spatial domain for the first time. Unexpected results are shown in the application in China, with larger PM_2.5 biases found in densely populated regions with abundant ground observations across all benchmark models, challenging conventional expectations and are not explored in the recent literature. The imbalance in training samples, mostly from urban areas with high emissions, is the main reason, leading to significant overestimation due to the lack of monitors in downwind areas where PM_2.5 is transported from urban areas with varying vertical profiles. Our proposed testbed also provides an efficient strategy for optimizing model structure or training samples to enhance satellite-retrieval model performance. Integration of spatiotemporal features, especially with CNN-based deep-learning approaches like the ResNet model, successfully mitigates PM_2.5 overestimation (by 5–30 µg m^-3) and corresponding exposure (by 3 million people • µg m^-3) in the downwind area over the past nine years (2013–2021) compared to the traditional approach. Furthermore, the incorporation of 600 strategically positioned ground-measurement sites identified through the testbed is essential to achieve a more balanced distribution of training samples, thereby ensuring precise PM_2.5 estimation and facilitating the assessment of associated impacts in China. In addition to presenting the retrieved surface PM_2.5 concentrations in China from 2013 to 2021, this study provides a testbed dataset derived from physical modeling simulations which can serve to evaluate the performance of data-driven methodologies, such as machine learning, in estimating spatial PM_2.5 concentrations for the community.