In southwest China, vegetation restoration is widely used in karst rocky desertification control projects. This technology can effectively fix the easily lost soil, gradually restore the plant community and improve soil fertility. However, the change law of soil heavy metals in the restoration process remains to be further studied. Therefore, in this work, Guizhou Caohai Nature Reserve as a typical karst area was taken as the research object to investigate the influence of vegetation restoration technology on repairing soil heavy metal pollution. The spatial distribution characteristics of soil heavy metals (chromium, nickel, arsenic, zinc, lead) before and after vegetation restoration in karst area were studied by comparative analysis and linear stepwise regression analysis. The main influencing factors and spatial distribution characteristics of heavy metals in karst area were further discussed. The results showed that: (1) heavy metals in karst soils are affected by surface vegetation, root exudates, microorganisms and leaching. Only heavy metals nickel (Ni) and lead (Pb) showed the tendency of surface enrichment and bottom precipitation enrichment in non-karst soils. Path analysis suggested that non-metallic soil factors such as soil bulk density (BD), total nitrogen (TN) and ammonium nitrogen (NH4+-N) had direct effect on the content of heavy metals in soil. (2) The proportion of 0.25–2 mm aggregates in the surface soil of vegetation restoration belt was more than 40%, and the proportion of surface soil ≤2 mm aggregates in this increased to 83% and 88%, respectively, which could improve the soil structure and properties effectively. (3) Vegetation restoration effectively restored the nutrient elements such as carbon and nitrogen in the soil, and enhanced the soil material circulation. Furthermore the content of heavy metals in the surface soil higher than that in the 10–20 cm soil layer. Plant absorption, biosorption mechanism of microorganisms, coupling of root exudates, dissolution of soil soluble organic carbon and pH make the contents of heavy metals Cr, Ni and Pb in vegetation restoration belt slightly lower than those in karst soil. At the same time, affected by vegetation coverage, residual heavy metals in soil are further leached by surface runoff. Therefore, the content of heavy metals in soil could reduce combined heavy metal enrichment plants for extraction with remediation. This study elucidates the advantages and remedy mechanism of vegetation restoration in the remediation of heavy metal contaminated soils in Caohai area of Guizhou, and this plant activation and enrichment extraction remediation technology would be popularized and applied in the remediation of heavy metal contaminated soils in other karst areas.