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Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity.
Mohammadamin Tavakoli
Aaron Mood
David Van Vranken
Pierre Baldi
Published in:
CoRR (2021)
Keyphrases
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quantum mechanics
machine learning
neural network
pattern recognition
quantum probability
artificial neural networks
quantum computing
human decision making
particle swarm optimisation
back propagation
data mining
fuzzy logic
learning problems
genetic algorithm
expert systems
objective function
decision making