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Luke Taylor

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Open access Sep 2026

ActiveFusion: Fused Representations Improve Active Learning for Molecular Property Prediction

This work introduces ActiveFusion, a framework for integrating heterogeneous molecular representations within active learning workflows for molecular property prediction and offers practical guidance for designing active learning pipelines that balance prediction accuracy with chemical space exploration.

Nelson Evbarunegbe, Shiyun Wa, Luke Taylor et al. · 0 citations

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