Metamaterials are artificial structures with the ability to efficiently control light‐field, attracting intensive attention in the past few decades. People have studied the working principles, design strategies, and fabrication methods of metamaterials, making this field cross and combine with many disciplines, including physics, material science, electronics, and chemistry. In recent years, with the rapid development of high‐efficiency and multifunctional metasurfaces, which are a two‐dimensional version of metamaterials, great efforts have been made to push this material to practical applications. In particular, the introduction of artificial intelligent (AI) algorithms enables metamaterials‐based photonic devices that exhibit excellent performances and intelligent functionalities. In this review, we first introduce the basic concepts, working principles, design methods, and applications of metamaterials, and then focus on the rapidly developing metamaterials research combined with AI algorithms. Finally, we conclude this review with personal perspectives on the current problems and future directions of metamaterials research and developments.