202 citations · 428 across the 14 of their papers we have counts for
3 papers · 1 filter
A Streaming Approach For Efficient Batched Beam Search
Kevin Yang, Violet Yao, John DeNero +1
We propose an efficient batching strategy for variable-length decoding on GPU architectures. During decoding, when candidates terminate or are pruned according to heuristics, our s…
Uncertainty Quantification Using Neural Networks for Molecular Property Prediction
Lior Hirschfeld, Kyle Swanson, Kevin Yang +2
Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental…
Improving Molecular Design by Stochastic Iterative Target Augmentation
Kevin Yang, Wengong Jin, Kyle Swanson +2
Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models…