Search Results for author: Andrew Watkins

Found 4 papers, 0 papers with code

MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models

no code implementations20 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}.

counterfactual Decoder

Multi-segment preserving sampling for deep manifold sampler

no code implementations9 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.

Language Modelling

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