arXiv:2410.02647cs.LGcs.CL2024-10ICLR被引 16

用双注意力机制提升疫苗靶点预测准确率

Immunogenicity Prediction with Dual Attention Enables Vaccine Target Selection

  • 融合蛋白序列与结构的预训练表征,设计双注意力模型
  • 在超7000个抗原数据上验证,显著优于现有方法
  • 适合疫苗研发人员和计算免疫学研究者使用

免疫原性预测是反向疫苗学中寻找能引发保护性免疫反应候选疫苗的核心问题。现有方法通常依赖高度压缩的特征和简单模型架构,导致预测精度有限且泛化能力差。为此,我们提出VenusVaccine,一种基于双注意力机制的深度学习新方法,整合了蛋白质序列与结构的预训练潜在表征。同时,我们构建了迄今最全面的免疫原性数据集,涵盖来自细菌、病毒和肿瘤的超过7000个抗原序列、结构及免疫原性标签。大量实验表明,VenusVaccine在多种评估指标上均优于现有方法。此外,我们建立后验验证协议,评估深度学习模型在疫苗设计中的实际意义。本工作为疫苗设计提供有效工具,并为未来研究设立重要基准。代码开源:https://github.com/songleee/VenusVaccine。

原文摘要 · Abstract (English)

Immunogenicity prediction is a central topic in reverse vaccinology for finding candidate vaccines that can trigger protective immune responses. Existing approaches typically rely on highly compressed features and simple model architectures, leading to limited prediction accuracy and poor generalizability. To address these challenges, we introduce VenusVaccine, a novel deep learning solution with a dual attention mechanism that integrates pre-trained latent vector representations of protein sequences and structures. We also compile the most comprehensive immunogenicity dataset to date, encompassing over 7000 antigen sequences, structures, and immunogenicity labels from bacteria, virus, and tumor. Extensive experiments demonstrate that VenusVaccine outperforms existing methods across a wide range of evaluation metrics. Furthermore, we establish a post-hoc validation protocol to assess the practical significance of deep learning models in tackling vaccine design challenges. Our work provides an effective tool for vaccine design and sets valuable benchmarks for future research. The implementation is at https://github.com/songleee/VenusVaccine.

疫苗设计深度学习免疫原性双注意力

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