提出新模型AVP-Pro,精准识别抗病毒肽并区分相似序列。
AVP-Pro: An Adaptive Multi-Modal Fusion and Contrastive Learning Approach for Comprehensive Two-Stage Antiviral Peptide Identification
- 分两阶段融合多模态特征与对比学习,动态加权序列局部与全局模式。
- 第一阶段准确率95.31%,第二阶段在小样本下对6类病毒精准分类。
- 适合药物研发人员快速筛选抗病毒肽,支持在线使用。
准确识别抗病毒肽(AVPs)对新药研发至关重要。现有方法在捕捉复杂序列依赖关系和区分高相似性混淆样本方面仍存局限。为此,我们提出AVP-Pro,一种结合自适应特征融合与对比学习的两阶段预测框架。为全面捕捉肽序列的理化特性与深层模式,构建包含10种描述符的全景特征空间,并设计分层融合架构,通过自注意力与自适应门控机制,动态调节卷积神经网络提取的局部基序与双向长短期记忆网络捕获的全局依赖权重。针对正负样本序列高度相似导致的决策边界模糊问题,采用基于BLOSUM62增强的在线难例挖掘(OHEM)对比学习策略,显著提升模型判别能力。评估结果显示,第一阶段通用AVP识别中,准确率达0.9531,马修斯相关系数为0.9064,优于现有最先进方法;第二阶段在迁移学习支持下,于小样本条件下实现对6类病毒及8种特定病毒的精准分类。AVP-Pro为抗病毒药物高通量筛选提供了强大且可解释的新工具。为提升可用性,已开发友好的网页界面,地址为https://wwwy1031-avp-pro.hf.space。
原文摘要 · Abstract (English)
The accurate identification of antiviral peptides (AVPs) is crucial for novel drug development. However, existing methods still have limitations in capturing complex sequence dependencies and distinguishing confusing samples with high similarity. To address these challenges, we propose AVP-Pro, a novel two-stage predictive framework that integrates adaptive feature fusion and contrastive learning. To comprehensively capture the physicochemical properties and deep-seated patterns of peptide sequences, we constructed a panoramic feature space encompassing 10 distinct descriptors and designed a hierarchical fusion architecture. This architecture integrates self-attention and adaptive gating mechanisms to dynamically modulate the weights of local motifs extracted by CNNs and global dependencies captured by BiLSTMs based on sequence context. Targeting the blurred decision boundary caused by the high similarity between positive and negative sample sequences, we adopted an Online Hard Example Mining (OHEM)-driven contrastive learning strategy enhanced by BLOSUM62. This approach significantly sharpened the model's discriminative power. Model evaluation results show that in the first stage of general AVP identification, the model achieved an accuracy of 0.9531 and an MCC of 0.9064, outperforming existing state-of-the-art (SOTA) methods. In the second stage of functional subtype prediction, combined with a transfer learning strategy, the model realized accurate classification of 6 viral families and 8 specific viruses under small-sample conditions. AVP-Pro provides a powerful and interpretable new tool for the high-throughput screening of antiviral drugs. To further enhance accessibility for users, we have developed a user-friendly web interface, which is available at https://wwwy1031-avp-pro.hf.space.
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