Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization

Wenhao Gao 0001, Tianfan Fu, Jimeng Sun 0001, Connor W. Coley. Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization. In Sanmi Koyejo, S. Mohamed, A. Agarwal, Danielle Belgrave, K. Cho, A. Oh, editors, Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, NeurIPS 2022, New Orleans, LA, USA, November 28 - December 9, 2022. 2022. [doi]

Abstract

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