Smart nanomaterials that integrate theranostic and regenerative properties have emerged as novel solutions in modern biomedicine. These multifunctional platforms combine targeted therapy, advanced imaging, and tissue repair processes into one single scaffold, facilitating real-time monitoring, precise drug administration, and accelerated healing. By utilizing stimulus-responsiveness such as light, pH, or temperature triggers, various nanomaterials (metallic, polymeric, carbon-based, and hybrid) may modify their therapeutic profiles while maintaining the mechanical support necessary for tissue regeneration. Meanwhile, AI-driven approaches progressively aid in rational design and manufacturing scale-up, improving reproducibility and customizing medicines to individual patient situations. Although significant in vivo achievements, long-term safety, regulatory issues, and manufacturing complexity persist as obstacles to clinical translation. This review offers a thorough examination of the approaches by which smart nanomaterials function in diagnosis and treatment, and scaffold-mediated regeneration. We will further examine prospective possibilities for standardized assessments, data methods, and interdisciplinary cooperation. These all-in-one systems have the capacity to transform regenerative medicine and oncology by providing minimally invasive, cost-effective, and patient-centered therapies that integrate diagnostics, therapy, and tissue reconstruction inside a single platform.