289 citations
- Cornell UniversityUS7 papers
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- Asahi Kasei (Japan)JP3 papers
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- University of California, IrvineUS2 papers
- Weill Cornell MedicineUS2 papers
- Asahi Kasei Therapeutics Corporation (Japan)JP1 paper
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Showing cs.LGShow all
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cs.LG2024
Wasserstein Wormhole: Scalable Optimal Transport Distance with Transformers
Doron Haviv, Russell Zhang Kunes, Thomas Dougherty +4
Optimal transport (OT) and the related Wasserstein metric (W) are powerful and ubiquitous tools for comparing distributions. However, computing pairwise Wasserstein distances rapid…
cs.LG2023★ 45 cited
Patchwork Learning: A Paradigm Towards Integrative Analysis across Diverse Biomedical Data Sources
Suraj Rajendran, Weishen Pan, Mert R. Sabuncu +3
Machine learning (ML) in healthcare presents numerous opportunities for enhancing patient care, population health, and healthcare providers' workflows. However, the real-world clin…
cs.LG2023★ 26 cited
EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment
Yuanqing Wang, Iván Pulido, Kenichiro Takaba +4
Atomic partial charges are crucial parameters in molecular dynamics (MD) simulation, dictating the electrostatic contributions to intermolecular energies, and thereby the potential…