Author

Yi Zheng

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#machine learning Preprint May 2026

Learning to Select Source Domains: Proxy-Rewarded Policy Optimization for Molecular OOD Generalization

The results support adaptive source selection as a useful strategy for molecular prediction under strong structural distribution shifts and support adaptive source selection as a useful strategy for molecular prediction under strong structural distribution shifts.

Zhuo-Hao Lin, Kun Li, Jia-Meng Chen et al. · 1 citation

Conference Sep 2026

TTS-Design: Test-Time Compute Scaling for Structure-Guided Protein Design

TTS-Design is proposed, a test-time compute scaling framework that enhances protein sequence design without retraining models or relying on larger training datasets, and can consistently improve sequence recovery and structural reliability across different backbone models, without retraining or increasing model size.

Zizhe Jin, Yi Zheng, Huan Yee Koh et al. · Proceedings of the Thirty-Fi... · 0 citations