Information bottleneck-guided heterogeneous graph learning for interpretable neurodevelopmental disorder diagnosis

Developing interpretable models for neurodevelopmental disorders (NDDs) diagnosis presents significant challenges in effectively encoding, decoding, and integrating multimodal neuroimaging data. While many existing machine learning approaches have shown promise in brain network analysis, they typically suffer from limited interpretability, particularly in extracting meaningful biomarkers from functional magnetic resonance imaging (fMRI) data and establishing clear relationships between imaging features and demographic characteristics. Moreover, current graph neural network methodologies face limitations in capturing both local and global functional connectivity patterns while simultaneously achieving theoretically principled multimodal data fusion. To address these challenges, we propose the Interpretable Information Bottleneck Heterogeneous Graph Neural Network (I²B-HGNN), a unified framework that applies information bottleneck principles to guide both brain connectivity modeling and cross-modal feature integration. This framework comprises two complementary components. The first is the Information Bottleneck Graph Transformer (IBGraphFormer), which combines transformer-based global attention mechanisms with graph neural networks through information bottleneck-guided pooling to identify sufficient biomarkers. The second is the Information Bottleneck Heterogeneous Graph Attention Network (IB-HGAN), which employs meta-path-based heterogeneous graph learning with structural consistency constraints to achieve interpretable fusion of neuroimaging and demographic data. The experimental results demonstrate that I²B-HGNN achieves superior performance in diagnosing NDDs, exhibiting both high classification accuracy and the ability to provide interpretable biomarker identification while effectively analyzing non-imaging data. The official implementation code is published at https://github.com/RyanLi-X/I2B-HGNN.