Kernel-elastic autoencoder
AssigneeYale University
InventorsHaote Li, Yu Shee, Victor Batista
Life of this patent
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Abstract
Aspects of the present invention relate to a system including a transformer encoder with a compression layer, a transformer decoder with an expansion layer, the transformer encoder configured to transform one or more inputs into a control latent vector, a noise injection element configured to add noise to the control latent vector to create a noisy latent vector, a weighting element configured to add one or more weightings to the control latent vector to create an exact latent vector, and the transformer decoder configured to transform the noisy latent vector and exact latent vector into an output.
Claims12
A system, comprising:
- a transformer encoder with a compression layer;
- a transformer decoder with an expansion layer;
- the transformer encoder configured to transform one or more inputs into a control latent vector;
- a noise injection element configured to add noise to the control latent vector to create a noisy latent vector;
- a weighting element configured to add one or more weightings to the control latent vector to create an exact latent vector;
- and
- the transformer decoder configured to transform the noisy latent vector and exact latent vector into an output.
A method for retrosynthetic planning comprising:
- providing one or more target molecules;
- specifying one or more reaction centers on the one or more target molecules;
- comparing the one or more target molecules to a database of reference reactions;
- measuring a similarity between at least one of the one or more target molecules and a molecule in the reference reactions;
- and
- generating one or more site-specific templates based on the measured similarity.
Dependencies are inferred from the claim text.