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evidential neural networks 1molecular property prediction 1neighbor fusion 1test-time adaptation 1uncertainty quantification 1

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cs.LG2026

Adapting Evidential Neural Networks to Test-Time Neighbor Fusion Improves Molecular Property Prediction

Cameron Gruich, Weichi Yao, Yixin Wang +1

The paper introduces PG‑EVIKAL, a method that refines molecular property predictions at test time by fusing predictions with labels of similar training molecules, using evidential…