Zhang Zhen, Deng Zhaohong, Li Ruibo, Zhang Wei, Lou Qiongdan, Choi Kup-Sze, Wang Shitong
IEEE/ACM Trans Comput Biol Bioinform. 2024 Nov-Dec;21(6):2011-2024. doi: 10.1109/TCBB.2024.3434399. Epub 2024 Dec 10.
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 high-order 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-of-the-art networks on four benchmark datasets.
预测生物分子相互作用对于理解生物系统具有重要意义。大多数现有的链接预测方法都是基于图卷积的。尽管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,但仍然存在两个关键挑战。一个是如何同时考虑直接邻居和高阶邻居。另一个是在聚合高阶邻居时如何减少噪声。为了解决这些挑战,我们提出了一种新颖的方法,称为基于长短期记忆网络(LSTM)和通道注意力的带滤波器网络的混合高阶图卷积(HGLA),用于预测生物分子相互作用。首先,分别通过传统图卷积网络(GCN)和基于稀疏邻域混合的两层高阶图卷积架构(MixHop)提取基本特征和高阶特征。其次,将这些特征混合并输入由层归一化(LayerNorm)、SENet和LSTM组成的滤波器网络,以生成经过滤波的特征,这些特征被连接起来用于链接预测。HGLA的优点包括:1)HGLA分别处理高阶特征,而不是简单地将它们连接起来;2)HGLA能更好地平衡基本特征和高阶特征;3)HGLA有效地过滤了来自高阶邻居的噪声。它在四个基准数据集上的表现优于当前的先进网络。