Search All 2022 Events
 

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Poster
Wed 14:00 Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu · Wenhao Gao · Connor Coley · Jimeng Sun
Workshop
An Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization
Elvin Lo · Pin-Yu Chen
Workshop
Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction
Wenlin Chen · Austin Tripp · José Miguel Hernández-Lobato
Poster
Wed 9:00 Local Latent Space Bayesian Optimization over Structured Inputs
Natalie Maus · Haydn Jones · Juston Moore · Matt Kusner · John Bradshaw · Jacob Gardner
Workshop
Assessing multi-objective optimization of molecules with genetic algorithms against relevant baselines
Nathanael Kusanda · Gary Tom · Riley Hickman · AkshatKumar Nigam · Kjell Jorner · Alan Aspuru-Guzik