Brain large-scale dynamics is constrained by the heterogeneity of intrinsic anatomical substrate. Little is known how the spatio-temporal dynamics adapt for the heterogeneous structural connectivity (SC). Modern neuroimaging modalities make it possible to study the intrinsic brain activity at the scale of seconds to minutes. Diffusion magnetic resonance imaging (dMRI) and functional MRI reveals the large-scale SC across different brain regions. Electrophysiological methods (i.e. MEG/EEG) provide direct measures of neural activity and exhibits complex neurobiological temporal dynamics which could not be solved by fMRI. However, most of existing multimodal analytical methods collapse the brain measurements either in space or time domain and fail to capture the spatio-temporal circuit dynamics. In this paper, we propose a novel spatio-temporal graph Transformer model to integrate the structural and functional connectivity in both spatial and temporal domain. The proposed method learns the heterogeneous node and graph representation via contrastive learning and multi-head attention based graph Transformer using multimodal brain data (i.e. fMRI, MRI, MEG and behavior performance). The proposed contrastive graph Transformer representation model incorporates the heterogeneity map constrained by T1-to-T2-weighted (T1w/T2w) to improve the model fit to structure-function interactions. The experimental results with multimodal resting state brain measurements demonstrate the proposed method could highlight the local properties of large-scale brain spatio-temporal dynamics and capture the dependence strength between functional connectivity and behaviors. In summary, the proposed method enables the complex brain dynamics explanation for different modal variants.
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