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braceal / molecules

Machine learning for molecular dynamics.
MIT License
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Additional unsupervised models #12

Open braceal opened 4 years ago

braceal commented 4 years ago

Variational Autoencoders with Inverse Autoregressive Flows: Allows modelling multi-modal latent distributions as could be present in contact matrix datasets. https://bjlkeng.github.io/posts/variational-autoencoders-with-inverse-autoregressive-flows/

braceal commented 4 years ago

Current CVAE uses ConvTranspose2d, may lead to checkerboard artifacts. Consider using upsampling modules instead. https://distill.pub/2016/deconv-checkerboard/

braceal commented 4 years ago

Sparsity https://arxiv.org/pdf/1812.07238.pdf

braceal commented 4 years ago

Arbitrary posterior distribution for vae: https://arxiv.org/pdf/1702.07904.pdf