Sep 28, 2023 · We introduce a new autoencoder called the MHG-GNN, which combines graph neural network (GNN) with Molecular Hypergraph Grammar (MHG).

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 ...

Oct 27, 2023 · As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which ...

Sep 28, 2023 · As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which ...

We present MHG-GNN, an autoencoder architecture that has an encoder based on GNN and a decoder based on a sequential model with MHG.

MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network ... Property prediction plays an important role in material discovery. Graph Neural ...

"MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network." arXiv preprint arXiv:2309.16374 (2023). [6] Takeda, Seiji, Lisa Hamada ...

MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network ... Property prediction plays an important role in material discovery. Graph Neural ...

et al. 2024; ICML 2024. MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network. Akihiro Kishimoto; Hiroshi Kajino; et al. 2023; NeurIPS ...

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 ...