Surface ozone has become a significant atmospheric pollutant in China, exerting a profound impact on crop production and posing a serious threat to food security. Previous studies have extensively explored the physiological mechanisms of ozone damage to plants. However, the effects of ozone interactions with other environmental factors, such as climate change, on agricultural productivity at the regional scale, particularly under natural conditions, remain insufficiently understood. In this study, we employed an interpretable machine learning framework, specifically the eXtreme Gradient Boosting (XGBoost) algorithm enhanced by SHapley Additive exPlanations (SHAP), to investigate the influence of ozone and its interactions with environmental factors on crop production in China's primary winter wheat region. Additionally, a structural equation model was developed to elucidate the mechanisms driving these interactions. Our findings demonstrate that ozone pollution exerts a significant negative effect on winter wheat productivity (r = −0.47, P < 0.001), with productivity losses escalating from −12.28 % to −22.09 % as ozone levels increase. Notably, the impact of ozone is spatially heterogeneous, with western Shandong province identified as a hotspot for ozone-induced damage. Furthermore, our results confirm the complexity of the relationship between ozone pollution and agricultural productivity, which is influenced by multiple interacting environmental factors. Specifically, we found that severe ozone pollution, when combined with high aerosol concentrations or elevated temperatures, significantly exacerbates crop productivity losses, although drought conditions can partially mitigate these adverse effects. Our study highlights the importance of incorporating the interactive effects of air pollution and climate change into future crop models. The comprehensive framework developed in this study, which integrates statistical modeling with explainable machine learning, provides a valuable methodological reference for quantitatively assessing the impact of air pollution on crop productivity at a regional scale.