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ResearchFormerly WizWand

Multi-objective Optimization on ZINC-250k (logP-TPSA)

2,589.04HypervolumeqPMHI (GA/BGNN)
1,513.14961,792.46732,071.7852,351.1027Dec 19, 2025
Updated 8mo ago

Evaluation results

MethodLinks
qPMHI (GA/BGNN)Run=52025.122,589.04
qPMHI (GA/BGNN)Run=22025.122,550.96
qPMHI (GA/BGNN)Run=42025.122,427.67
qPMHI (GA/BGNN)Run=12025.122,349.8
JANUSRun=52025.122,302.93
qPMHI (GA/BGNN)Run=32025.122,282.03
Graph-GARun=22025.122,270.73
JANUSRun=12025.122,240.83
JANUSRun=22025.122,207.73
Graph-GARun=12025.122,198.67
Graph-GARun=42025.122,137.94
JANUSRun=42025.122,133.12
Graph-GARun=52025.122,132.93
JANUSRun=32025.122,115.02
qPMHI (VAE/GP)Run=52025.122,112.75
qPMHI (VAE/GP)Run=22025.122,109.19
VAE+BORun=22025.122,094.25
VAE+BORun=52025.122,089.06
Graph-GARun=32025.122,086.6
qPMHI (VAE/GP)Run=42025.121,998.18
VAE+BORun=42025.121,934.12
qPMHI (VAE/GP)Run=12025.121,893.88
qPMHI (VAE/GP)Run=32025.121,863.34
VAE+BORun=12025.121,796.12
VAE+BORun=32025.121,795.88
MolDQNRun=52025.121,784.74
MolDQNRun=42025.121,743.25
MolDQNRun=22025.121,720.63
MolDQNRun=12025.121,586.77
MolDQNRun=32025.121,554.53