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基于属性有向图嵌入的蛋白质-蛋白质相互作用的图预测。

Graph-based prediction of Protein-protein interactions with attributed signed graph embedding.

机构信息

School of Computer Science and Technology, Beijing Institute of Technology, 5 South Zhongguancun Street, Haidian District, Beijing, 100081, China.

Department of Biomedical Informatics, College of Medicine, The Ohio State University, Ohio, Columbus, 43210, USA.

出版信息

BMC Bioinformatics. 2020 Jul 21;21(1):323. doi: 10.1186/s12859-020-03646-8.

Abstract

BACKGROUND

Protein-protein interactions (PPIs) are central to many biological processes. Considering that the experimental methods for identifying PPIs are time-consuming and expensive, it is important to develop automated computational methods to better predict PPIs. Various machine learning methods have been proposed, including a deep learning technique which is sequence-based that has achieved promising results. However, it only focuses on sequence information while ignoring the structural information of PPI networks. Structural information of PPI networks such as their degree, position, and neighboring nodes in a graph has been proved to be informative in PPI prediction.

RESULTS

Facing the challenge of representing graph information, we introduce an improved graph representation learning method. Our model can study PPI prediction based on both sequence information and graph structure. Moreover, our study takes advantage of a representation learning model and employs a graph-based deep learning method for PPI prediction, which shows superiority over existing sequence-based methods. Statistically, Our method achieves state-of-the-art accuracy of 99.15% on Human protein reference database (HPRD) dataset and also obtains best results on Database of Interacting Protein (DIP) Human, Drosophila, Escherichia coli (E. coli), and Caenorhabditis elegans (C. elegan) datasets.

CONCLUSION

Here, we introduce signed variational graph auto-encoder (S-VGAE), an improved graph representation learning method, to automatically learn to encode graph structure into low-dimensional embeddings. Experimental results demonstrate that our method outperforms other existing sequence-based methods on several datasets. We also prove the robustness of our model for very sparse networks and the generalization for a new dataset that consists of four datasets: HPRD, E.coli, C.elegan, and Drosophila.

摘要

背景

蛋白质-蛋白质相互作用(PPIs)是许多生物过程的核心。鉴于鉴定 PPIs 的实验方法既耗时又昂贵,因此开发自动化计算方法来更好地预测 PPIs 非常重要。已经提出了各种机器学习方法,包括一种基于序列的深度学习技术,该技术取得了有希望的结果。然而,它仅关注序列信息,而忽略了 PPI 网络的结构信息。已经证明 PPI 网络的结构信息(例如其在图中的度、位置和相邻节点)在 PPI 预测中是有用的。

结果

面对表示图信息的挑战,我们引入了一种改进的图表示学习方法。我们的模型可以基于序列信息和图结构研究 PPI 预测。此外,我们的研究利用了表示学习模型,并采用基于图的深度学习方法进行 PPI 预测,该方法优于现有的基于序列的方法。从统计学上看,我们的方法在人类蛋白质参考数据库(HPRD)数据集上实现了 99.15%的最新精度,并且在数据库相互作用蛋白(DIP)人类、果蝇、大肠杆菌(E.coli)和秀丽隐杆线虫(C.elegans)数据集上也获得了最佳结果。

结论

在这里,我们引入了有符号变分图自动编码器(S-VGAE),这是一种改进的图表示学习方法,可自动学习将图结构编码为低维嵌入。实验结果表明,我们的方法在几个数据集上优于其他现有的基于序列的方法。我们还证明了我们的模型对非常稀疏的网络具有鲁棒性,并且可以推广到由 HPRD、E.coli、C.elegans 和 Drosophila 四个数据集组成的新数据集。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3d2/7372763/0c55e5e84b66/12859_2020_3646_Fig1_HTML.jpg

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