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cs.LG2026
Disentangling Marginal Capacity from Geometry in Optimal-Transport Label Transfer
Ali Khodabandeh Yalabadi, Azim Dehghani Amirabad, Artem Moskalev +4
Optimal transport (OT) is widely used to align distributions and transfer labels between unpaired source and target data, but source-target composition shifts can cause rare classe…
cs.LG2026
ConRetroBert: EMA Stabilized Dual Encoders for Template-Based Single-Step Retrosynthesis
Mohammad Jahid Ibna Basher, Ali Khodabandeh Yalabadi, Ivan Garibay +1
Template based single step retrosynthesis predicts reactants by selecting and applying an explicit reaction template, making each prediction traceable to a chemical transformation…