4 papers
SynQP: A Framework and Metrics for Evaluating the Quality and Privacy Risk of Synthetic Data
Bing Hu, Yixin Li, Asma Bahamyirou +1
The use of synthetic data in health applications raises privacy concerns, yet the lack of open frameworks for privacy evaluations has slowed its adoption. A major challenge is the…
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…
Drug Discovery SMILES-to-Pharmacokinetics Diffusion Models with Deep Molecular Understanding
Bing Hu, Anita Layton, Helen Chen
Artificial intelligence (AI) is increasingly used in every stage of drug development. One challenge facing drug discovery AI is that drug pharmacokinetic (PK) datasets are often co…
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…