Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast.
Yuyang WangRishikesh MagarChen LiangAmir Barati FarimaniPublished in: CoRR (2022)
Keyphrases
- online learning
- learning systems
- learning algorithm
- incremental learning
- supervised learning
- unsupervised learning
- knowledge acquisition
- drug discovery
- learning scheme
- learning problems
- learning tasks
- positive and negative
- fault diagnosis
- database
- active learning
- prior knowledge
- learning process
- information retrieval
- neural network