Uncertainty Quantification Using Neural Networks for Molecular Property Prediction.
Lior HirschfeldKyle SwansonKevin YangRegina BarzilayConnor W. ColeyPublished in: CoRR (2020)
Keyphrases
- neural network
- prediction model
- prediction accuracy
- pattern recognition
- artificial neural networks
- artificial neural networks to predict
- prediction algorithm
- three dimensional
- fuzzy logic
- multi layer perceptron
- prediction error
- prediction intervals
- neural network ensemble
- drug design
- data sets
- protein function prediction
- radial basis function network
- radial basis function neural network
- training process
- fuzzy systems
- machine learning
- uncertain data
- multilayer perceptron
- feed forward
- regression model
- back propagation
- network architecture
- neural network model
- fault diagnosis
- genetic algorithm
- chaotic time series
- decision making
- expert systems