Atomistic Line Graph Neural Network for improved materials property predictions
Abstract Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models for atomistic predictions are based on atomic distance inform...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2021
|
| Subjects: | |
| Online Access: | https://doaj.org/article/61a150a846574ac2a1dffb7b2b7fc925 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|