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Chemical Sequence Design on QM9

21.591ELBOTB
21.5868421.5879221.58921.59008Oct 13, 2025

Evaluation results

MethodLinks
TBAlgorithm=Trajectory Balance2025.1021.59121.6050.951
TB + ϵ-expl.Algorithm=Trajectory Balance, Exploration=ϵ-exploration2025.1021.5921.6060.948
TB + BufAlgorithm=Trajectory Balance, Buffer=Standard2025.1021.5921.6070.946
TB + IW-BufAlgorithm=Trajectory Balance, Buffer=Importance-weighted2025.1021.5921.6040.946
TB + L-BufAlgorithm=Trajectory Balance, Buffer=Learned prioritisation2025.1021.58921.6060.943
TB + R-BufAlgorithm=Trajectory Balance, Buffer=Random prioritisation2025.1021.58721.6070.944