Graph neural bandits scale drug screening to million molecules, accepted at KDD 2027
jiank_uiuc · x · 2026-11-15
A UIUC-led paper, "Scaling Graph Neural Bandits to Million-Molecule Virtual Screening," has been accepted to the KDD 2027 AI4Science track (Cycle 1). The work scales graph-based drug virtual screening to practical million-molecule levels.
- Led by students Zakaria Siam and Yongchan Hong, in collaboration with Vsevolod Katritch, Yan Liu, and Chong Liu (UIUC)
- The acceptance notification is dated Nov 12, 2026
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