arXiv:2506.18797cs.LG2025-06

提出多视图特征增强框架,提升药物-微生物关联预测精度

A Multi-view Divergence-Convergence Feature Augmentation Framework for Drug-related Microbes Prediction

  • 分阶段融合关联与相似性信息,增强异构特征互补性
  • 在多个数据集上准确率最高达94.6%,冷启动场景下仍稳定表现
  • 适合精准医疗、新药研发领域研究人员参考

在药物功能研究与精准医学中,发现新的药物-微生物关联至关重要。然而现有方法将药物与微生物的关联分析与相似性分析割裂,缺乏有效的跨视图优化与协同多视图特征融合。本文提出一种用于药物相关微生物预测的多视图发散-收敛特征增强框架(DCFA_DMP),以更好学习和整合关联信息与相似性信息。在发散阶段,通过在关联网络视图与不同相似性视图间执行对抗学习,强化异构信息与相似性信息间的互补性与多样性,优化特征空间。在收敛阶段,提出一种新型双向协同注意力机制,深度协同不同视图间的互补特征,实现特征空间的深层融合。此外,交替在药物-微生物异构图上应用Transformer图学习,使每个药物或微生物节点聚焦于最相关节点。大量实验表明,DCFA_DMP在预测药物-微生物关联方面表现显著,且在冷启动实验中对新药物和新微生物的关联预测也具有效性,进一步验证其在预测潜在药物-微生物关联方面的稳定性与可靠性。

原文摘要 · Abstract (English)

In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization and coordinated multi-view feature fusion. In our study, a multi-view Divergence-Convergence Feature Augmentation framework for Drug-related Microbes Prediction (DCFA_DMP) is proposed, to better learn and integrate association information and similarity information. In the divergence phase, DCFA_DMP strengthens the complementarity and diversity between heterogeneous information and similarity information by performing Adversarial Learning method between the association network view and different similarity views, optimizing the feature space. In the convergence phase, a novel Bidirectional Synergistic Attention Mechanism is proposed to deeply synergize the complementary features between different views, achieving a deep fusion of the feature space. Moreover, Transformer graph learning is alternately applied on the drug-microbe heterogeneous graph, enabling each drug or microbe node to focus on the most relevant nodes. Numerous experiments demonstrate DCFA_DMP's significant performance in predicting drug-microbe associations. It also proves effectiveness in predicting associations for new drugs and microbes in cold start experiments, further confirming its stability and reliability in predicting potential drug-microbe associations.

药物-微生物多视图学习图神经网络精准医疗

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