The development of Neolithic cultures in the Yellow River valley promoted the emergence of Chinese ancient civilization. Three phases of the temporal-spatial variation of Neolithic culture evolution can be decerned based on archaeological survey, the distribution range of Neolithic sites was mainly limited to foothills during the pre-Yangshao period (9 000~7 000 BP), which widely expanded to the valleys of the Yellow River and its tributaries during the Yangshao period (7 000~5 000 BP), and further extended to hilly areas during the Longshan period (5 000~4 000 BP). With the comparison to the results of palaeoclimate and archaeometry studies, we argue that the spatial expansion of Neolithic cultures was primarily facilitated by the development of millet-based agriculture in the Yellow River valley, which was further affected by the climate changes.