融合文献与网络知识,提升微生物相互作用建模精度
Knowledge-Inclusive Adaptive Physics-Informed Neural Network for Microbial Interaction Modelling

- 引入文本与网络结构知识增强PINN对微生物互作的参数推断
- 在真实与模拟数据上准确率提升最高达53%,生态指标改善47%
- 适合微生物生态学、系统生物学研究者使用
物理信息神经网络(PINN)通过将方程形式的知识融入机器学习。除方程外,知识还以文本和网络结构等形式存在。现有基于PINN的方法仅依赖实验测量数据来发现方程参数。本文提出一种新框架,通过引入辅助知识源丰富参数推断过程。针对微生物学领域,以广义洛特卡-沃尔泰拉模型(gLV)为基础建模微生物群落。我们利用同行评审的宏基因组文献文本,补充了gLV无法捕捉的外部影响生物背景信息,并结合微生物丰度实验数据,采用数据驱动方法进行融合。同时,显式建模微生物互作网络结构,实现网络推断并揭示生态规律。结果与文献记载的生态角色一致。在人类与植物相关微生物群落的真实及模拟数据集上验证,本框架在无知识情况下仍比当前最优方法提升53%;加入知识后,在基于Bray-Curtis差异度的准确率上提升23%,在R²上提升47%。
原文摘要 · Abstract (English)
Physics-Informed Neural Network (PINN) is a way of including knowledge in the form of equations in Machine Learning methods. Beyond equations, knowledge exists in other forms, such as text and network structure. While existing PINN-based approaches discover equation parameters from data, they rely solely on experimental measurements. We propose a new PINN framework that enriches parameter discovery by incorporating auxiliary knowledge sources. We instantiate our framework for microbiology, where generalised Lotka-Volterra (gLV) serves as a biological foundation for modelling microbial communities. We demonstrate that incorporating knowledge improves microbial community modelling. Our framework enriches the gLV parameters using peer-reviewed metagenomics literature, as text provides biological context on external influences that gLV alone cannot capture. We combine this knowledge with experimental measurements of microbial abundance using a data-driven integration approach. We integrate network-based structural knowledge by explicitly modelling microbial interactions. Our knowledge-inclusive framework infers microbial networks, revealing ecological insights. We validate these findings against ecological roles documented in the literature. We evaluate on real and simulated datasets spanning human- and plant-associated microbial communities. Our framework improves over the state-of-the-art by up to 53%, even without knowledge. Knowledge addition yields gains of up to 23% in Bray-Curtis Dissimilarity-based accuracy and 47% in $\mathrm{R}^2$.
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