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Doyeong Hwang

2 accepted papers

2025

Score-informed Neural Operator for Enhancing Ordering-based Causal Discovery

NeurIPS 2025poster

Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Noise Models (ANMs) assumption, recent causal ordering methods based on score matching require an accurate estimation of the…

Cited by 0SourceScholar
2021

Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation

NeurIPS 2021poster

Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. Molecular docking program -- a physical simulation that estimates protein-small molecule binding affinity -- can be an ideal reward scoring func…

Cited by 78SourcePDFScholar