Conference paper
Adaptive Online Replanning with Diffusion Models
Siyuan Zhou, Yilun Du, et al.
NeurIPS 2023
Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which combines graph neural network (GNN) with Molecular Hypergraph Grammar (MHG). Results on a variety of property prediction tasks with diverse materials show that MHG-GNN is promising.
Siyuan Zhou, Yilun Du, et al.
NeurIPS 2023
Erik Miehling, Rahul Nair, et al.
NeurIPS 2023
C.A. Micchelli, W.L. Miranker
Journal of the ACM
Kenneth L. Clarkson, Elad Hazan, et al.
Journal of the ACM