通过自适应融合与对比学习,提升抗病毒肽识别准确率
AVP-Fusion: Adaptive Multi-Modal Fusion and Contrastive Learning for Two-Stage Antiviral Peptide Identification
- 动态调节卷积与双向LSTM特征权重,捕捉序列上下文依赖
- 在标准数据集上达95.31%准确率和90.64%MCC,显著优于现有方法
- 适用于小样本场景下的病毒亚型精准分类,适合药物研发人员
准确识别抗病毒肽(AVPs)对加速新药开发至关重要。然而,现有计算方法难以捕捉复杂的序列依赖关系,且难以处理模糊、难分类样本。为此,我们提出AVP-Fusion,一种结合自适应特征融合与对比学习的两阶段深度学习框架。不同于传统静态拼接,该框架使用10种不同描述符构建全景特征空间,并引入自适应门控机制,根据序列上下文动态调节卷积神经网络提取的局部基序与双向LSTM捕捉的全局依赖权重。此外,为应对数据分布挑战,采用基于OHEM的在线难例挖掘和BLOSUM62的数据增强策略,显著强化模型决策边界。在基准数据集Set 1上的实验表明,AVP-Fusion取得0.9531的准确率和0.9064的MCC,显著优于当前最优方法。第二阶段通过迁移学习,可在样本有限情况下实现对六类病毒家族及八种特定病毒的精确亚型预测。综上,AVP-Fusion为高通量抗病毒药物筛选提供了一种鲁棒且可解释的工具。
原文摘要 · Abstract (English)
Accurate identification of antiviral peptides (AVPs) is critical for accelerating novel drug development. However, current computational methods struggle to capture intricate sequence dependencies and effectively handle ambiguous, hard-to-classify samples. To address these challenges, we propose AVP-Fusion, a novel two-stage deep learning framework integrating adaptive feature fusion and contrastive learning. Unlike traditional static feature concatenation, we construct a panoramic feature space using 10 distinct descriptors and introduce an Adaptive Gating Mechanism.This mechanism dynamically regulates the weights of local motifs extracted by CNNs and global dependencies captured by BiLSTMs based on sequence context. Furthermore, to address data distribution challenges, we employ a contrastive learning strategy driven by Online Hard Example Mining (OHEM) and BLOSUM62-based data augmentation, which significantly sharpens the model's decision boundaries. Experimental results on the benchmark Set 1 dataset demonstrate that AVP-Fusion achieves an accuracy of 0.9531 and an MCC of 0.9064, significantly outperforming state-of-the-art methods. In the second stage, leveraging transfer learning, the model enables precise subclass prediction for six viral families and eight specific viruses, even under limited sample sizes. In summary, AVP-Fusion serves as a robust and interpretable tool for high-throughput antiviral drug screening.
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