Rapid Exploration of Topological Band Structures Using Deep Learning

Abstract

The design of periodic nanostructures allows to tailor the transport of photons, phonons, and matter waves for specific applications. Recent years have seen a further expansion of this field by engineering topological properties. However, what is missing currently are efficient ways to rapidly explore and optimize band structures and to classify their topological characteristics for arbitrary unit-cell geometries. In this work, we show how deep learning can address this challenge. We introduce an approach where a neural network first maps the geometry to a tight-binding model. The tight-binding model encodes not only the band structure but also the symmetry properties of the Bloch waves. This allows us to rapidly categorize a large set of geometries in terms of their band representations, identifying designs for fragile topologies. We demonstrate that our method is also suitable to calculate strong topological invariants, even when (like the Chern number) they are not symmetry indicated. Engineering of domain walls and optimization are accelerated by orders of magnitude. Our method directly applies to any passive linear material, irrespective of the symmetry class and space group. It is general enough to be extended to active and nonlinear metamaterials.