Data efficiency and extrapolation trends in neural network interatomic potentials.

Joshua A. Vita Daniel Schwalbe-Koda

Published in: Mach. Learn. Sci. Technol. (2023)

Keyphrases

neural network
data sets
database
raw data
data analysis
complex data
input data
high quality
data sources
computer systems
data structure
data collection
statistical analysis
synthetic data
experimental data
pattern recognition
xml documents
prior knowledge
data points
missing data
data acquisition
genetic algorithm