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cs.LG2025
Pretrained Joint Predictions for Scalable Batch Bayesian Optimization of Molecular Designs
Miles Wang-Henderson, Benjamin Kaufman, Edward Williams +6
Batched synthesis and testing of molecular designs is the key bottleneck of drug development. There has been great interest in leveraging biomolecular foundation models as surrogat…
quant-ph2025
Link prediction with swarms of chiral quantum walks
Gaia Forghieri, Viacheslav Dubovitskii, Matteo A. C. Rossi +1
Reconstructing protein-protein interaction networks is a central challenge in network medicine, often addressed using link prediction algorithms. Recent studies suggest that quantu…