BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models

Item #:

085713-4245

Details

DOI: https://doi.org/10.52202/085713-4245
Author(s): Evan Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Sahin, Obadiah Smolenski, Everett Grethel, Tim Hsu, Anna Hiszpanski, Kenneth Chiu, Bhavya Kailkhura, Brian Van Essen
Pages: 141311-141362 (52 pages)
Format: PDF Paper Download
Conference: Advances in Neural Information Processing Systems 38
Date/Location: Held 2-7 December 2025, San Diego, California, USA and 30 November - 5 December 2025, Mexico City, Mexico.
Series: Advances in Neural Information Processing Systems 38
Publisher: Neural Information Processing Systems Foundation, Inc. (NeurIPS)

DOI: https://doi.org/10.52202/085713-4245
Author(s): Evan Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Sahin, Obadiah Smolenski, Everett Grethel, Tim Hsu, Anna Hiszpanski, Kenneth Chiu, Bhavya Kailkhura, Brian Van Essen
Pages: 141311-141362 (52 pages)
Format: PDF Paper Download
Conference: Advances in Neural Information Processing Systems 38
Date/Location: Held 2-7 December 2025, San Diego, California, USA and 30 November - 5 December 2025, Mexico City, Mexico.
Series: Advances in Neural Information Processing Systems 38
Publisher: Neural Information Processing Systems Foundation, Inc. (NeurIPS)