arXiv:2502.04034cs.LGcs.AI2025-02

用傅里叶域的非对称注意力,让药物敏感细胞聚成团,耐药细胞散开,实现跨癌种精准预测。

Fourier Asymmetric Attention on Domain Generalization for Pan-Cancer Drug Response Prediction

  • 在频域中用非对称注意力,让敏感样本聚集、耐药样本分散。
  • 仅用体外细胞系数据训练,就能准确预测未见癌种的药物反应。
  • 适合无目标域数据时的跨癌种药物响应预测场景。

药物反应的精准预测仍是重大挑战,尤其在单细胞水平和临床治疗中。现有研究多依赖迁移学习,但需目标域数据参与训练,而该数据常不可得或仅未来可得。本文提出新型领域泛化框架FourierDrug,对表达谱提取特征后进行傅里叶变换,并引入非对称注意力约束,使药物敏感样本在频域中聚集,耐药样本则被分散。实验证明,该模型能从多个源域中学习任务相关特征,在未见癌种上实现精准药物反应预测。在单细胞与患者级药物反应预测任务中,FourierDrug仅基于体外细胞系数据训练,性能持续优于或至少匹配当前最先进方法。结果表明该方法具有实际临床应用潜力。

原文摘要 · Abstract (English)

The accurate prediction of drug responses remains a formidable challenge, particularly at the single-cell level and in clinical treatment contexts. Some studies employ transfer learning techniques to predict drug responses in individual cells and patients, but they require access to target-domain data during training, which is often unavailable or only obtainable in future. In this study, we propose a novel domain generalization framework, termed FourierDrug, to address this challenge. Given the extracted feature from expression profile, we performed Fourier transforms and then introduced an asymmetric attention constraint that would cluster drug-sensitive samples into a compact group while drives resistant samples dispersed in the frequency domain. Our empirical experiments demonstrate that our model effectively learns task-relevant features from diverse source domains, and achieves accurate predictions of drug response for unseen cancer type. When evaluated on single-cell and patient-level drug response prediction tasks, FourierDrug--trained solely on in vitro cell line data without access to target-domain data--consistently outperforms or, at least, matched the performance of current state-of-the-art methods. These findings underscore the potential of our method for real-world clinical applications.

药物反应预测领域泛化傅里叶变换癌症研究

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