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基于图神经网络和社区检测的 ncRNA-蛋白质相互作用预测模型。

A model for predicting ncRNA-protein interactions based on graph neural networks and community detection.

机构信息

School of Data Science and Artificial Intelligence, Wenzhou University of Technology, Wenzhou, Zhejiang 325035, China; College of Computer Science and Electronic Engineering, Hunan University, Changsha 410082, China.

College of Computer Science and Electronic Engineering, Hunan University, Changsha 410082, China.

出版信息

Methods. 2022 Nov;207:74-80. doi: 10.1016/j.ymeth.2022.09.001. Epub 2022 Sep 13.

DOI:10.1016/j.ymeth.2022.09.001
PMID:36108992
Abstract

Non-coding RNA (ncRNA) s play an considerable role in the current biological sciences, such as gene transcription, gene expression, etc. Exploring the ncRNA-protein interactions(NPI) is of great significance, while some experimental techniques are very expensive in terms of time consumption and labor cost. This has promoted the birth of some computational algorithms related to traditional statistics and artificial intelligence. However, these algorithms usually require the sequence or structural feature vector of the molecule. Although graph neural network (GNN) s has been widely used in recent academic and industrial researches, its potential remains unexplored in the field of detecting NPI. Hence, we present a novel GNN-based model to detect NPI in this paper, where the detecting problem of NPI is transformed into the graph link prediction problem. Specifically, the proposed method utilizes two groups of labels to distinguish two different types of nodes: ncRNA and protein, which alleviates the problem of over-coupling in graph network. Subsequently, ncRNA and protein embedding is initially optimized based on the cluster ownership relationship of nodes in the graph. Moreover, the model applies a self-attention mechanism to preserve the graph topology to reduce information loss during pooling. The experimental results indicate that the proposed model indeed has superior performance.

摘要

非编码 RNA(ncRNA)在当前的生物科学中发挥着重要作用,例如基因转录、基因表达等。探索 ncRNA-蛋白质相互作用(NPI)具有重要意义,而一些实验技术在时间消耗和劳动力成本方面非常昂贵。这促进了一些与传统统计学和人工智能相关的计算算法的诞生。然而,这些算法通常需要分子的序列或结构特征向量。尽管图神经网络(GNN)在最近的学术和工业研究中得到了广泛应用,但它在检测 NPI 领域的潜力仍未得到探索。因此,我们在本文中提出了一种基于 GNN 的新模型来检测 NPI,其中将 NPI 的检测问题转化为图链接预测问题。具体来说,该方法利用两组标签来区分两种不同类型的节点:ncRNA 和蛋白质,从而缓解了图网络中的过耦合问题。随后,根据图中节点的聚类归属关系对 ncRNA 和蛋白质的嵌入进行初步优化。此外,该模型应用自注意力机制来保留图拓扑结构,以减少池化过程中的信息丢失。实验结果表明,所提出的模型确实具有优越的性能。

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