Protein function prediction remains a critical and challenging task in the field of bioinformatics. Despite various existing computational methods, most focus on predicting functions for novel proteins, often overlooking those with incomplete annotations. Predicting missing Gene Ontology (GO) terms for these partially annotated proteins is also important for gaining a comprehensive understanding of their biological roles. To address this gap, we introduce DualGOFiller, a dual-channel graph neural network (GNN) model, which is a novel method specifically focused on predicting missing GO terms for partially annotated proteins. DualGOFiller integrates heterogeneous (protein-GO bipartite graph) and homogeneous (protein-protein interaction network and GO directed acyclic graph) network information, enriched with attribute data from protein sequences and GO term descriptions. It further employs graph contrastive learning (GCL) to strengthen the alignment across different views. Experiments demonstrate the superiority of DualGOFiller over state-of-the-art methods, including traditional recommendation system approaches and several protein function prediction methods. The ablation study further confirms the significant contributions of key component in DualGOFiller for boosting predictive performance. The source code is available at https://github.com/ZhuLab-Fudan/DualGOFiller .

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DualGOFiller: A Dual-Channel Graph Neural Network with Contrastive Learning for Enhancing Function Prediction in Partially Annotated Proteins

  • Shaojun Wang,
  • Hancheng Liu,
  • Weiqi Zhai,
  • Shanfeng Zhu

摘要

Protein function prediction remains a critical and challenging task in the field of bioinformatics. Despite various existing computational methods, most focus on predicting functions for novel proteins, often overlooking those with incomplete annotations. Predicting missing Gene Ontology (GO) terms for these partially annotated proteins is also important for gaining a comprehensive understanding of their biological roles. To address this gap, we introduce DualGOFiller, a dual-channel graph neural network (GNN) model, which is a novel method specifically focused on predicting missing GO terms for partially annotated proteins. DualGOFiller integrates heterogeneous (protein-GO bipartite graph) and homogeneous (protein-protein interaction network and GO directed acyclic graph) network information, enriched with attribute data from protein sequences and GO term descriptions. It further employs graph contrastive learning (GCL) to strengthen the alignment across different views. Experiments demonstrate the superiority of DualGOFiller over state-of-the-art methods, including traditional recommendation system approaches and several protein function prediction methods. The ablation study further confirms the significant contributions of key component in DualGOFiller for boosting predictive performance. The source code is available at https://github.com/ZhuLab-Fudan/DualGOFiller .