Enhancing agricultural green total factor productivity (AGTFP) under ecological and environmental constraints is essential for advancing green agricultural development in the Beijing–Tianjin–Hebei (BTH) region. Using panel data from 13 prefecture-level cities from 2001 to 2022, this study applies a super-efficiency EBM model incorporating undesirable outputs together with the Malmquist–Luenberger index to measure AGTFP. Global and local Moran’s I indices as well as the spatial Durbin model are then employed to examine the temporal evolution, spatial disparities, and spatial interaction effects of AGTFP during 2001–2022. The findings indicate that: (1) From 2001 to 2022, the AGTFP in the BTH region grew at an average annual rate of 7.7%. This trend reflects a growth pattern primarily driven by green technological progress in agriculture, while substantial disparities in AGTFP persist across different subregions. (2) the global Moran’s I values show frequent shifts between positive and negative spatial autocorrelation, suggesting that a stable and effective regional coordination mechanism for green agricultural development has yet to be formed; (3) the determinants of AGTFP exhibit pronounced spatiotemporal heterogeneity, and the fundamental drivers of the region’s green agricultural transition increasingly rely on endogenous growth generated by technological innovation and rural human capital; (4) policy recommendations include strengthening benefit-sharing and policy coordination mechanisms, promoting cross-regional cooperation in agricultural science and technology, and implementing differentiated industrial layouts to support green agricultural development in the BTH region. These results provide valuable insights for promoting coordinated and sustainable green agricultural development across regions.

Arid region ecosystems are among the most fragile ecological types worldwide. They depend heavily on limited water resources and are strongly influenced by intensive human activities, leading their ecosystem services to exhibit nonlinear and threshold responses to driving factors. Identifying the thresholds of ecosystem services under the combined influence of natural and socio-economic interactive drivers is of great significance for regional ecological risk warning and differentiated management. Taking the Tarim River Basin as a case study, this research establishes an integrated analytical framework that combines causal inference, interaction term construction, interpretable machine learning (XGBoost-SHAP), and piecewise linear regression. The framework is used to evaluate the variations in four types of ecosystem services in 2000, 2010, and 2023, to analyze the interactive effects of driving factors, and to identify their thresholds influencing ecosystem service functions. The results indicate that (1) different types of ecosystem service functions exhibited distinct trends from 2000 to 2023, with habitat quality and water yield showing declining tendencies, while soil conservation and Windbreak and sand fixation demonstrated gradual increases; (2) Causal Screening and interaction modeling revealed that the interaction between precipitation and population density (Pre × Pop) served as the key synergistic driver of changes in the four ecosystem service functions. Both the ecosystem services and the coupled natural–social driving processes exhibited pronounced nonlinear characteristics, with evident trend shifts occurring within specific threshold intervals. (3) The precise coupling thresholds of different ecosystem services under natural–social drivers were identified, intuitively revealing the coupling threshold characteristics of various ecosystem services; (4) The integration of causal inference with interpretable machine learning enhances the reliability of threshold identification, revealing the heterogeneous response mechanisms of different services and providing a quantitative basis for the zoning regulation and differentiated management of regional ecosystems. The findings offer a transferable methodological framework to support ecological governance in arid regions.