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arXiv 提交日期: 2026-02-18
📄 Abstract - RIDER: 3D RNA Inverse Design with Reinforcement Learning-Guided Diffusion

The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and evaluated using native sequence recovery, which is a limited surrogate for structural fidelity, since different sequences can fold into similar 3D structures and high recovery does not necessarily indicate correct folding. To address this limitation, we propose RIDER, an RNA Inverse DEsign framework with Reinforcement learning that directly optimizes for 3D structural similarity. First, we develop and pre-train a GNN-based generative diffusion model conditioned on the target 3D structure, achieving a 9% improvement in native sequence recovery over state-of-the-art methods. Then, we fine-tune the model with an improved policy gradient algorithm using four task-specific reward functions based on 3D self-consistency metrics. Experimental results show that RIDER improves structural similarity by over 100% across all metrics and discovers designs that are distinct from native sequences.

顶级标签: biology model training machine learning
详细标签: rna inverse design reinforcement learning diffusion models 3d structure graph neural networks 或 搜索:

RIDER:基于强化学习引导扩散模型的3D RNA逆向设计 / RIDER: 3D RNA Inverse Design with Reinforcement Learning-Guided Diffusion


1️⃣ 一句话总结

这篇论文提出了一种名为RIDER的新方法,它利用强化学习来指导扩散模型,直接根据目标三维结构来设计RNA序列,从而大幅提升了生成结构的准确性,并找到了与天然序列不同的新设计。

源自 arXiv: 2602.16548