MPGVAE: improved generation of small organic molecules using message passing neural nets.
Daniel Flam-ShepherdTony C. WuAlán Aspuru-GuzikPublished in: Mach. Learn. Sci. Technol. (2021)
Keyphrases
- message passing
- neural nets
- belief propagation
- feed forward
- distributed systems
- shared memory
- sum product algorithm
- markov random field
- back propagation
- factor graphs
- approximate inference
- inference in graphical models
- neural network
- graphical models
- artificial neural networks
- distributed shared memory
- maximum likelihood
- learning tasks
- high quality
- artificial intelligence
- active learning
- learning process
- expert systems
- support vector
- genetic algorithm