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Raising crop yields and quality through plant ecological research has become an important approach to sustainably improving crop products. Stevia rebaudiana is widely introduced and cultivated around the world because of the continuous increase in demand for steviol glycosides. When selecting regions or plots suitable for high-yield and high-quality cultivation, it is necessary to understand the main ecological factors that contribute to the formation of S. rebaudiana yield and quality. In this study, sampling plots from different geographic and climatic regions in Xinjiang and Jiangsu were selected for S. rebaudiana cultivation. The geographic, climatic and soil ecological factors were analyzed based on a PLSR (partial least squares regression) model to discover the potentially influential factors in the yield and quality formation of the crop. The results suggest that not all geographic and climatic ecological factors contributed to yield formation; however, these factors, such as latitude, altitude and annual sunshine duration, had high or moderate influences on the concentration of each steviol glycoside and total steviol glycoside. Soil organic matter (OM), total potassium (TK), available potassium (AK), zinc (Zn), and catalase (CAT) had high or moderate effects on the concentrations of each steviol glycoside and total steviol glycoside. However, the other soil factors showed variability in the extent to which they drove the steviol glycosides. The study contributes to a more profound understanding of the ecological driving mechanisms of S. rebaudiana yield and quality formation. The yield or steviol glycoside concentrations of sweetleaf may be improved by modifying certain key ecological factors. • Application of PLSR model found potential drivers of sweetleaf yield and quality. • Some key ecological factors driving yield and steviol glycoside formation. • The PLSR model provide explanations and predictions for sweetleaf cultivation. • Sweetleaf yield and quality can be improved based on PLSR model results. [ABSTRACT FROM AUTHOR]