Inference-Time Steering Across Scaffolds and Epitopes for Sample-Efficient De Novo Nanobody Design

Paper recorded by Signals 4 on 2026-10-09 in cs.LG. Abstract reproduced from arXiv; link to the original below.

Published 2026-10-09 on arXiv · recorded by Signals 4 on 2026-10-12

Category: cs.LG · 机器学习 · first seen 2026-10-12

Abstract

Generative molecular design typically relies on over-generation and post-hoc filtering. Inference-time steering methods like Feynman-Kac (FK) steering improve efficiency by biasing trajectories toward high-reward candidates, yet they optimize within a single fixed configuration. In de novo nanobody design, upfront commitment to conditioning choices like scaffold identity or target epitope creates

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