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5 Results
Poster
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Wed 14:00 |
Reinforced Genetic Algorithm for Structure-based Drug Design Tianfan Fu · Wenhao Gao · Connor Coley · Jimeng Sun |
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Workshop
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An Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization Elvin Lo · Pin-Yu Chen |
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Workshop
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Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction Wenlin Chen · Austin Tripp · José Miguel Hernández-Lobato |
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Poster
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Wed 9:00 |
Local Latent Space Bayesian Optimization over Structured Inputs Natalie Maus · Haydn Jones · Juston Moore · Matt Kusner · John Bradshaw · Jacob Gardner |
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Workshop
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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 |