This research examines the distribution features of 4960 caves across Guizhou Province, while probing the relationship between the caves’ spatial patterns and geographic elements. This study is based on hydrogeological and topographic maps of Guizhou. Arc GIS software was used to process the adjacent index, spatial analysis, and coupling analysis of the caves altitude and longitude, as well as the rock properties, lithology, drainage and tectonic division of almost 5000 caves. Based on a point pattern analysis of Guizhou caves, the adjacent index is 0.53, and the coefficient of variation verified by Tyson polygon reached 72.469%. This figure reflects the clustered distribution pattern of the caves. Across the entire province, caves are divided into four concentrated areas and one weakly affected area. The four concentrated areas are Zunyi-Tongren, Bijie, Qianxinan-Liupanshui, and Guiyang-Anshun-Qinan. The one weakly affected zone is Qiandongnan. The most concentrated among them is the Guiyang-Anshun-Qiannan area, which covers 24.67% of the total province area, and accounts for 36.63% of the total province’s caves. Cave distribution in Guizhou is characterized as dense in the western part and sparse in the eastern part. Under this study background, the natural elements of formation, including lithology, structure, climate, hydrology, and altitude, and their effects on the distribution, number, and spatial pattern of cave development is analyzed.