Predicting metabolite-disease associations based on dynamic adaptive feature learning architecture.

Background And Objective: In recent years, the association between metabolites and complex human diseases has increasingly been recognized as a major research focus. Traditional wet-lab experiments are considered time-consuming and labor-intensive, while computational methods have been shown to significantly enhance research efficiency. However, existing methods for predicting metabolite-disease associations primarily depend on predefined similarity metrics and static network structures, often failing to capture the complex interactions among node neighborhoods within metabolite and disease networks. This limitation hinders the capture of deeper dynamic relationships between metabolites and diseases, resulting in information loss and noise that deteriorate prediction performance.

Methods: An innovative dynamic adaptive feature learning architecture (DAF-LA) is proposed to predict metabolite-disease associations. This architecture integrates dynamic subgraph construction and an adaptive feature enhancement mechanism, enabling high-precision feature learning and association prediction through progressive optimization from initial to high-order feature representations.

Results: The architecture was evaluated through five-fold cross-validation, achieving an AUC of 0.9742 and an AUPR of 0.9734. Additionally, the case study demonstrates that DAF-LA accurately predicts metabolites associated with Alzheimer's disease, Type 2 diabetes mellitus and Parkinson's disease.

Conclusions: The results demonstrate that our method effectively uncovers potential associations between metabolites and diseases through dynamic topological modeling and multi-scale collaborative learning. It enables faster identification of likely metabolite-disease relationships, reduces the time and resource costs associated with inefficient large-scale screening in traditional wet-lab experiments, and provides more targeted guidance for subsequent biological validation.