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• Evaluating water conservation in the Yellow River Basin in recent decades by zones. • Water conservation increased in the upstream while decreasing in the downstream. • Woodland and grassland can conserve more water in relatively steep areas. • Water conservation was affected by climate factors, soil conditions, and land use. As water quality declines and water resources become scarce, water conservation emerges as the central challenge of water resource management and sustainable development in the watershed ecosystem. The Yellow River, known as the "mother river" of China, of which the water conservation function has received significant public attention in the changing environmental conditions. In the study, the InVEST water yield model was utilized to evaluate the spatiotemporal dynamics of water conservation; the MK trend test and Sen's slope were used to examine the trends of precipitation and water conservation, respectively. Additionally, the response of water conservation to climate, land use, and soil changes during the period 1981–2020 was also discussed. The results showed that under the comprehensive influence of various factors, the water conservation of the YRB showed a decreasing and then increasing trend, which was presumed to be associated with the Grain for Green Project. Water conservation showed an increasing trend in the upstream area of the study area while decreasing in the lower reaches in recent decades. The changes in water conservation function in the YRB resulted from the comprehensive influence of climate factors, soil conditions, and land use types. Besides, woodland and grassland provide the highest water conservation capacity, which initially increased and then decreased with the increase of slope. The spatial analysis emphasized the critical role of water conservation in the Yellow River Basin, particularly highlighting the source area (above Lanzhou Station), the southern tributaries of the Wei River, and the upper reaches of the Yiluo River as significant water conservation zones. These areas should be considered crucial and given priority in regional water resource management and ecological protection efforts. The findings of this study could provide a theoretical foundation for ecological protection and water security in the YRB, which are essential for sustainable development. [ABSTRACT FROM AUTHOR]