These three models form a variational autoencoder and can be trained jointly in a semi-supervised manner. The experimental results show that the regularization of the classification model based on the ...

We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder ...

Deep generative models such as the generative adversarial network (GAN) and the variational autoencoder (VAE) have obtained increasing attention in a wide variety of applications. Nevertheless, the ...