no code implementations • 4 Sep 2023 • Nathan Ng, Ji Won Park, Jae Hyeon Lee, Ryan Lewis Kelly, Stephen Ra, Kyunghyun Cho
This set embedding represents the "average" of the subreads and can be decoded into a prediction of the clean sequence.
no code implementations • 20 Jun 2023 • Michael Maser, Natasa Tagasovska, Jae Hyeon Lee, Andrew Watkins
As we train our predictive models jointly with a conformer decoder, the new latent embeddings can be mapped to their corresponding inputs, which we call \textit{MoleCLUEs}, or (molecular) counterfactual latent uncertainty explanations \citep{antoran2020getting}.
no code implementations • 15 Feb 2023 • Michael Maser, Ji Won Park, Joshua Yao-Yu Lin, Jae Hyeon Lee, Nathan C. Frey, Andrew Watkins
We investigate Siamese networks for learning related embeddings for augmented samples of molecular conformers.
no code implementations • 9 May 2022 • Daniel Berenberg, Jae Hyeon Lee, Simon Kelow, Ji Won Park, Andrew Watkins, Vladimir Gligorijević, Richard Bonneau, Stephen Ra, Kyunghyun Cho
We introduce an alternative approach to this guided sampling procedure, multi-segment preserving sampling, that enables the direct inclusion of domain-specific knowledge by designating preserved and non-preserved segments along the input sequence, thereby restricting variation to only select regions.