HGLA: Biomolecular Interaction Prediction based on Mixed High-Order Graph Convolution with Filter Network via LSTM and Channel Attention.

IF 3.6 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS IEEE/ACM Transactions on Computational Biology and Bioinformatics Pub Date : 2024-07-26 DOI:10.1109/TCBB.2024.3434399
Zhen Zhang, Zhaohong Deng, Ruibo Li, Wei Zhang, Qiongdan Lou, Kup-Sze Choi, Shitong Wang
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Abstract

Predicting biomolecular interactions is significant for understanding biological systems. Most existing methods for link prediction are based on graph convolution. Although graph convolution methods are advantageous in extracting structure information of biomolecular interactions, two key challenges still remain. One is how to consider both the immediate and highorder neighbors. Another is how to reduce noise when aggregating high-order neighbors. To address these challenges, we propose a novel method, called mixed high-order graph convolution with filter network via LSTM and channel attention (HGLA), to predict biomolecular interactions. Firstly, the basic and high-order features are extracted respectively through the traditional graph convolutional network (GCN) and the two-layer Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing (MixHop). Secondly, these features are mixed and input into the filter network composed of LayerNorm, SENet and LSTM to generate filtered features, which are concatenated and used for link prediction. The advantages of HGLA are: 1) HGLA processes high-order features separately, rather than simply concatenating them; 2) HGLA better balances the basic features and high-order features; 3) HGLA effectively filters the noise from high-order neighbors. It outperforms state-ofthe-art networks on four benchmark datasets. The codes are available at https://github.com/zznb123/HGLA.

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HGLA:通过 LSTM 和通道注意,基于混合高阶图卷积与滤波网络的生物分子相互作用预测。
预测生物分子相互作用对于了解生物系统意义重大。现有的链接预测方法大多基于图卷积。虽然图卷积方法在提取生物分子相互作用的结构信息方面具有优势,但仍存在两个关键挑战。一个是如何同时考虑近邻和高阶相邻。另一个挑战是如何在聚合高阶邻域时减少噪音。为了解决这些难题,我们提出了一种新方法,即通过 LSTM 和通道注意(channel attention,HGLA)与滤波网络的混合高阶图卷积(mixed high-order graph convolution with filter network)来预测生物分子相互作用。首先,通过传统的图卷积网络(GCN)和双层高阶图卷积架构(Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing,MixHop)分别提取基本特征和高阶特征。其次,将这些特征混合后输入由 LayerNorm、SENet 和 LSTM 组成的滤波网络,生成滤波后的特征,并将其连接起来用于链接预测。HGLA 的优势在于1) HGLA 单独处理高阶特征,而不是简单地将它们串联起来;2) HGLA 更好地平衡了基本特征和高阶特征;3) HGLA 有效地过滤了来自高阶邻域的噪声。在四个基准数据集上,它的表现优于最先进的网络。代码见 https://github.com/zznb123/HGLA。
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来源期刊
CiteScore
7.50
自引率
6.70%
发文量
479
审稿时长
3 months
期刊介绍: IEEE/ACM Transactions on Computational Biology and Bioinformatics emphasizes the algorithmic, mathematical, statistical and computational methods that are central in bioinformatics and computational biology; the development and testing of effective computer programs in bioinformatics; the development of biological databases; and important biological results that are obtained from the use of these methods, programs and databases; the emerging field of Systems Biology, where many forms of data are used to create a computer-based model of a complex biological system
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