Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces.
Yoona YangMichael S. EldredJudit ZádorHabib N. NajmPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- neural network
- prediction model
- three dimensional
- prediction accuracy
- pattern recognition
- free form
- neural network ensemble
- artificial neural networks
- energy consumption
- elman network
- prediction algorithm
- drug design
- predictive model
- bp neural network
- energy minimization
- neural network is trained
- fault diagnosis
- fuzzy logic
- image segmentation
- protein function prediction
- neural nets
- surface registration
- protein structure prediction
- smooth surfaces
- multi layer perceptron
- prediction error
- radial basis function
- genetic algorithm