Authors introduce Orb, a family of universal interatomic potentials for atomistic modeling of materials. Orb models are 3-6 times faster than existing universal potentials, stable under simulation for a range of out of distribution materials and, upon release, represented a 31% reduction in error over other methods on the Matbench Discovery benchmark. https://arxiv.org/abs/2410.22570
The paper is somewhat basic (and probably still in preprint), but this contribution is nonetheless great!
After reading the MatterSim paper, the authors proposed the idea of using the MLFF's latent space as a direct property prediction feature set. Earlier, and I had been thinking about using a VAE (or s