SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials.
Simon L. BatznerTess E. SmidtLixin SunJonathan P. MailoaMordechai KornbluthNicola MolinariBoris KozinskyPublished in: CoRR (2021)
Keyphrases
- neural network
- data sets
- high quality
- database
- data collection
- data quality
- raw data
- pattern recognition
- graph representation
- data sources
- computationally efficient
- knowledge discovery
- accurate models
- data analysis
- data structure
- end users
- data processing
- training data
- missing data
- spatial data
- valued data
- data objects
- network structure
- data distribution
- high dimensional data
- input data
- data mining techniques
- prior knowledge
- artificial neural networks
- databases