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Author

Wooyeol Lee

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#artificial intelligence Preprint Oct 2026

Risk-Calibrated Proposal Transport for Finite-Particle Diffusion Steering

Inference-time steering combines pretrained diffusion experts or rewards without retraining by changing the dynamics that transport noise to data. Feynman-Kac correction compensates for proposal mismatch through importance-weighted sequential Monte Carlo (SMC), whose finite-particle behavior depends on the proposal. Va...

Ziseok Lee, JaeHyeong Kim, Seungwon Kim et al. · 0 citations
#machine learning Preprint Sep 2026

SurfSpec: Enhancing Off-Target-Agnostic Specificity by Bounding Pocket-Ligand Geometric Mismatch

SurfSpec is introduced, an off-target-agnostic lead optimization framework that iteratively grows ligands toward under-occupied regions of the target pocket surface that reduces geometric mismatch and outperforms evaluated off-target-agnostic lead optimization baselines in empirical specificity, while maintaining compe...

Mi-Nyeong Hwang, Yoorim Gang, Ziseok Lee et al. · 0 citations

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