用AI量化中医诊疗逻辑,打通传统医学与现代生物机制的桥梁。
An Interpretable AI framework Quantifying Traditional Chinese Medicine Principles Towards Enhancing and Integrating with Modern Biomedicine
- 构建可解释的中医嵌入空间(TCM-ES),量化症状与药方的对应关系。
- 发现中医诊断与AI编码解码过程一致,且与代谢、免疫等生物功能显著相关。
- 生成整合中西医知识图谱,助力疾病分析与新药研发。
中医诊断治疗原则源于千年的临床实践,将患者特定症状模式映射为个性化草药疗法。这些经验性整体映射策略为应对现代生物医学还原论方法的局限提供了宝贵思路。然而,缺乏定量框架与分子层面证据,限制了其可解释性与可靠性。本文提出一个基于古代经典中医方剂记录训练的AI框架,量化症状模式与草药疗法的映射关系。有趣的是,我们发现中医诊疗经验与AI模型中的编码-解码过程高度一致,从而构建出可解释的中医嵌入空间(TCM-ES)。通过大量中医患者数据验证,该空间实现了对中医实践与疗效的通用量化。进一步通过对应对齐,将生物医学实体映射至TCM-ES。结果显示,TCM-ES的主要方向显著关联关键生物学功能(如代谢、免疫、稳态),且疾病与草药嵌入距离与其在人类蛋白互作网络中的遗传关系一致,揭示了中医原则的生物学意义。此外,TCM-ES揭示了潜在疾病关联,并为现代疾病-药物对提供新的疗效评估指标。最后,我们构建了一个全面集成的中医知识图谱,预测疾病与靶点、药物、草药成分及疗法间的潜在关联,为疾病分析和药物开发提供中医引导的新路径。
原文摘要 · Abstract (English)
Traditional Chinese Medicine diagnosis and treatment principles, established through centuries of trial-and-error clinical practice, directly maps patient-specific symptom patterns to personalised herbal therapies. These empirical holistic mapping principles offer valuable strategies to address remaining challenges of reductionism methodologies in modern biomedicine. However, the lack of a quantitative framework and molecular-level evidence has limited their interpretability and reliability. Here, we present an AI framework trained on ancient and classical TCM formula records to quantify the symptom pattern-herbal therapy mappings. Interestingly, we find that empirical TCM diagnosis and treatment are consistent with the encoding-decoding processes in the AI model. This enables us to construct an interpretable TCM embedding space (TCM-ES) using the model's quantitative representation of TCM principles. Validated through broad and extensive TCM patient data, the TCM-ES offers universal quantification of the TCM practice and therapeutic efficacy. We further map biomedical entities into the TCM-ES through correspondence alignment. We find that the principal directions of the TCM-ES are significantly associated with key biological functions (such as metabolism, immune, and homeostasis), and that the disease and herb embedding proximity aligns with their genetic relationships in the human protein interactome, which demonstrate the biological significance of TCM principles. Moreover, the TCM-ES uncovers latent disease relationships, and provides alternative metric to assess clinical efficacy for modern disease-drug pairs. Finally, we construct a comprehensive and integrative TCM knowledge graph, which predicts potential associations between diseases and targets, drugs, herbal compounds, and herbal therapies, providing TCM-informed opportunities for disease analysis and drug development.
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