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cs.LG2024
Dynamic Information Sub-Selection for Decision Support
Hung-Tien Huang, Maxwell Lennon, Shreyas Bhat Brahmavar +2
We introduce Dynamic Information Sub-Selection (DISS), a novel framework of AI assistance designed to enhance the performance of black-box decision-makers by tailoring their inform…
cs.LG2024
Reliable OOD Virtual Screening with Extrapolatory Pseudo-Label Matching
Yunni Qu, Bhargav Vaduri, Karthikeya Jatoth +6
Machine learning (ML) models are increasingly deployed for virtual screening in drug discovery, where the goal is to identify novel, chemically diverse scaffolds while minimizing e…