Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization.
Onur BoyarYanheng GuYuji TanakaShunsuke TonogaiTomoya ItakuraIchiro TakeuchiPublished in: CoRR (2024)
Keyphrases
- automated design
- latent space
- evolutionary design
- engineering design
- security protocols
- low dimensional
- gaussian processes
- latent variables
- matrix factorization
- mechanism design
- manifold learning
- support vector
- gaussian process
- lower dimensional
- high dimensional
- machine learning
- parameter space
- generative model
- maximum likelihood