Author

Jin-Bo Bi

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#machine learning Preprint Sep 2026

Budgeted Quotient-Residual Guidance for Frozen Pocket-Conditioned Molecular Diffusion

QRG provides a lightweight route to quotient-aware inference for frozen molecular samplers with explicit runtime accounting, and Controlled quotient tasks confirm that sampler-relative delivery activates signals that raw local quotient gradients leave dormant.

Xin-Yu Wang, Jin-Bo Bi, Ming-Hu Song · 0 citations

#machine learning Preprint Sep 2026

PocketVE: Stable and Property-Guided Structure-Based Drug Design with Variance-Exploding Diffusion

The results suggest that geometric stability and inference-time property guidance should be considered as coupled design objectives, whereas stronger guidance can degrade geometry and distributional fidelity.

Pei-Ning Zhang, Jin-Bo Bi · 0 citations