Abstract: Dentomaxillofacial deformities are highly prevalent oral diseases that exhibit pronounced temporal variation, and their occurrence and progression are closely associated with human evolution, lifestyle transitions, and genetic background. Archaeological research provides critical evidence for tracing the origin and evolutionary trajectory of dentomaxillofacial deformities. This review systematically summarizes archaeological findings of dentomaxillofacial deformities from prehistoric to historical periods, focusing on occlusal types, prevalence, and their spatiotemporal distribution patterns. By integrating morphological data from teeth and jawbones, the study further explores the relationships between malocclusion and dietary structure, economic modes, and population migration. The results indicate that dentomaxillofacial deformities were relatively rare in early human populations but increased markedly following the advent of agriculture and the refinement of food processing, particularly manifesting as higher frequencies of dental crowding and deep overbite, suggesting a pivotal role of environmental factors in their development. Meanwhile, variations in malocclusion patterns across different populations reflect the combined influence of genetic background and cultural factors. These archaeological findings reveal that dentomaxillofacial deformities demonstrate clear temporal variability and environmental dependence, and they provide a historical framework for understanding the high prevalence and etiological mechanisms of modern malocclusion, as well as a theoretical basis for optimizing orthodontic prevention and treatment strategies.