仅用序列信息,用大模型预测RNA碱基间距离。
Predicting Distance matrix with large language models
- 用预训练RNA语言模型+下游Transformer预测距离图
- 在RNAStructure2023数据集上达到0.819的Pearson相关系数
- 适合需快速获取结构约束的生物研究者
结构预测在RNA研究中至关重要,尤其在AlphaFold2成功推动蛋白质研究后更受关注。尽管机器学习和数据积累已解决诸多生物任务,但受限于数据稀缺,RNA三维结构预测仍具挑战。传统方法如核磁共振、X射线晶体学和电子显微镜成本高且耗时。虽已有多种RNA 3D结构预测方法,准确率仍有限。在更高级别预测如距离图方面仍有价值。距离图以简化形式表示核苷酸间的空间约束,捕捉关键关系而无需完整3D模型,计算开销小,可指导更精确的3D建模。本研究证明,仅凭初级序列信息,通过大型预训练RNA语言模型与训练良好的下游Transformer,即可准确推断RNA碱基间距离。在RNAStructure2023数据集上,模型在预测距离矩阵上取得0.819的皮尔逊相关系数。
原文摘要 · Abstract (English)
Structural prediction has long been considered critical in RNA research, especially following the success of AlphaFold2 in protein studies, which has drawn significant attention to the field. While recent advances in machine learning and data accumulation have effectively addressed many biological tasks, particularly in protein related research. RNA structure prediction remains a significant challenge due to data limitations. Obtaining RNA structural data is difficult because traditional methods such as nuclear magnetic resonance spectroscopy, Xray crystallography, and electron microscopy are expensive and time consuming. Although several RNA 3D structure prediction methods have been proposed, their accuracy is still limited. Predicting RNA structural information at another level, such as distance maps, remains highly valuable. Distance maps provide a simplified representation of spatial constraints between nucleotides, capturing essential relationships without requiring a full 3D model. This intermediate level of structural information can guide more accurate 3D modeling and is computationally less intensive, making it a useful tool for improving structural predictions. In this work, we demonstrate that using only primary sequence information, we can accurately infer the distances between RNA bases by utilizing a large pretrained RNA language model coupled with a well trained downstream transformer.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。