Generative model for information metamaterial design

Abstract: Generative models such as AlphaFold and MatterGen can directly generate novel material structures with desired properties, accelerating the new materials discovery and revolutionizing the material design paradigm from traditional trial-and-error approach to intelligent on-demand generation. AlphaFold is focused on protein prediction with specific aperiodic structures; while MatterGen is focused on predicting periodic and stable crystal structures. The universal design of metamaterials is much more complicated, since it involves to design meta-atoms (similar to the periodic structures) and their arbitrarily inhomogeneous distributions in space. Here, we propose InfoMetaGen, a universal generative model for information metamaterial design, which combines a pre-trained foundation model with lightweight functional adapters to intelligently generate artificial structures on-demand spanning from meta-atoms to arbitrary space coding patterns. In contrast to conventional intelligent metamaterial design methods that require training dedicated models for specific functionalities, InfoMetaGen enables a single universal generative model capable of switching across diverse functionalities by fine-tuning the lightweight adapters, significantly improving both efficiency and generalizability. Experimental results demonstrate that InfoMetaGen can not only accelerate the diverse discovery of new metamaterials, but also achieve breakthroughs in metamaterial performance. This work fills the gap of universal generative framework in designing artificial materials, and opens up unprecedented opportunities to expand the capability of generative models from the passive discovery of microscopic natural material to the active creation of macroscopic artificial materials.