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Author

Nasser R. Sabar

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Jul 2026

M-JEPA: Predictive Self-Supervised Learning for Molecular Graphs with Scaffold-Shift Evaluation on Tox21.

M-JEPA (Molecular Joint Embedding Predictive Architectures), a predictive self-supervised method for molecular graphs based on connected-subgraph masking and an exponential-moving-average (EMA) teacher, is evaluated with a compute-matched three-phase protocol that screens objectives on ESOL and tests transfer on Tox21 under Bemis-Murcko scaffold splits.

Karthik Iyer, Nasser R. Sabar · 1 citation

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