Learning Substructure Invariance for Out-of-Distribution Molecular Representations.

Nianzu Yang Kaipeng Zeng Qitian Wu Xiaosong Jia Junchi Yan

Published in: NeurIPS (2022)

Keyphrases

learning process
genetic algorithm
learning algorithm
knowledge acquisition
case study
supervised learning
online learning
background knowledge
incremental learning
three dimensional
probability distribution
maximum likelihood
mobile learning
multiple representations