Introduction of HSG-12M, a large-scale dataset of spatial multigraphs embedded in a metric space.
HSG-12M contains 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes.
The dataset is derived from 177 TB of spectral potential data, encoding the full geometry of a 1-D crystal's energy spectrum on the complex plane.
Release of Poly2Graph pipeline allows mapping of arbitrary 1-D crystal Hamiltonians to spectral graphs, presenting new challenges and opportunities in graph learning.