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q-bio.QM2025
Domain Knowledge Infused Conditional Generative Models for Accelerating Drug Discovery
Bing Hu, Jong-Hoon Park, Helen Chen +2
The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and…
cs.LG2025★ 1 cited
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching
Aaron Havens, Benjamin Kurt Miller, Bing Yan +10
We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the fi…