HCLAMCMI: Prediction of circRNA-miRNA Interactions Based on Hypergraph Contrastive Learning and an Attention Mechanism.

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Lei Chen,Ying Chen,Bo Zhou
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引用次数: 0

Abstract

Circular RNA (circRNA)-microRNA (miRNA) interactions (CMIs) play important roles in regulating gene expression, cell proliferation, and tumorigenesis. Accurate identification of CMIs is critical for understanding disease pathogenesis and for advancing diagnostic and therapeutic strategies. However, conventional biological experiments are time-consuming and labor-intensive, and existing computational models, although effective, still provide suboptimal circRNA and miRNA representations. Here, we propose HCLAMCMI, a computational model for the CMI prediction. Three types of raw features of circRNAs and miRNAs were extracted from the adjacency matrix, similarity matrix, and heterogeneous network comprising circRNAs, miRNAs, and diseases. Hypergraphs were then constructed from two complementary views to capture high-order relational information. These hypergraphs were processed by using hypergraph convolutional networks, contrastive learning, and a channel attention mechanism to generate high-level feature representations. The features were subsequently refined through two-layer fully connected neural networks, and interaction scores were obtained by the inner product to construct the recommendation matrix. HCLAMCMI was evaluated on two benchmark CMI data sets, achieving AUC and AUPR values above 0.98 on training data sets and approximately 0.97 on independent test data sets, consistently outperforming all existing models. Additional analyses confirmed the rationality of its architecture and highlighted the advantages of integrating hypergraph-based learning with attention mechanisms.
HCLAMCMI:基于超图对比学习和注意机制的circRNA-miRNA相互作用预测
环状RNA (circRNA)-microRNA (miRNA)相互作用(CMIs)在调节基因表达、细胞增殖和肿瘤发生中发挥重要作用。准确识别CMIs对于了解疾病发病机制和推进诊断和治疗策略至关重要。然而,传统的生物学实验既耗时又费力,现有的计算模型虽然有效,但仍然提供了次优的circRNA和miRNA表示。本文提出了CMI预测的计算模型HCLAMCMI。从邻接矩阵、相似矩阵和由circRNAs、miRNAs和疾病组成的异质网络中提取出circRNAs和miRNAs的三种原始特征。然后从两个互补的视图构建超图来捕获高阶关系信息。使用超图卷积网络、对比学习和通道注意机制对这些超图进行处理,以生成高级特征表示。然后通过两层全连接神经网络对特征进行细化,通过内积得到交互评分,构建推荐矩阵。HCLAMCMI在两个基准CMI数据集上进行了评估,在训练数据集上实现了0.98以上的AUC和AUPR值,在独立测试数据集上实现了约0.97的AUC和AUPR值,始终优于所有现有模型。进一步的分析证实了其架构的合理性,并强调了将基于超图的学习与注意机制相结合的优势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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