Graph neural networks (GNNs) have proven effective in capturing relationships among nodes in a graph. This study introduces a novel perspective by considering a graph as a simplicial complex, encompassing nodes, edges, triangles, and $k$-simplices, enabling the definition of graph-structured data on any $k$-simplices. Our contribution is the Hodge-Laplacian heterogeneous graph attention network (HL-HGAT), designed to learn heterogeneous signal representations across $k$-simplices. The HL-HGAT incorporates three key components: HL convolutional filters (HL-filters), simplicial projection (SP), and simplicial attention pooling (SAP) operators, applied to $k$-simplices. HL-filters leverage the unique topology of $k$-simplices encoded by the Hodge-Laplacian (HL) operator, operating within the spectral domain of the $k$-th HL operator. To address computation challenges, we introduce a polynomial approximation for HL-filters, exhibiting spatial localization properties. Additionally, we propose a pooling operator to coarsen $k$-simplices, combining features through simplicial attention mechanisms of self-attention and cross-attention via transformers and SP operators, capturing topological interconnections across multiple dimensions of simplices. The HL-HGAT is comprehensively evaluated across diverse graph applications, including NP-hard problems, graph multi-label and classification challenges, and graph regression tasks in logistics, computer vision, biology, chemistry, and neuroscience. The results demonstrate the model's efficacy and versatility in handling a wide range of graph-based scenarios.

The paper introduces a new data-driven topological data analysis (TDA) method for studying dynamically changing human functional brain networks obtained from the resting-state functional magnetic resonance imaging (rs-fMRI). Leveraging persistent homology, a multiscale topological approach, we present a framework that incorporates the temporal dimension of brain network data. This allows for a more robust estimation of the topological features of dynamic brain networks. The method employs the Wasserstein distance to measure the topological differences between networks and demonstrates greater efficiency and performance than the commonly used -means clustering in defining the state spaces of dynamic brain networks. Our method maintains robust performance across different scales and is especially suited for dynamic brain networks. In addition to the methodological advancement, the paper applies the proposed technique to analyze the heritability of overall brain network topology using a twin study design. The study investigates whether the dynamic pattern of brain networks is a genetically influenced trait, an area previously underexplored. By examining the state change patterns in twin brain networks, we make significant strides in understanding the genetic factors underlying dynamic brain network features. Furthermore, the paper makes its method accessible by providing MATLAB codes, contributing to reproducibility and broader application.

Topological data analysis, including persistent homology, has undergone significant development in recent years. However, due to heterogenous nature of persistent homology features that do not have one-to-one correspondence across measurements, it is still difficult to build a coherent statistical inference procedure. The paired data structure in persistent homology as birth and death events of topological features add further complexity to conducting inference. To address these current problems, we propose to analyze the birth and death events using lattice paths. The proposed lattice path method is implemented to characterize the topological features of the protein structures of corona viruses. This demonstrates new insights to building a coherent statistical inference procedure in persistent homology.

July 29, 2020 For random field theory based multiple comparison corrections In brain imaging, it is often necessary to compute the distribution of the supremum of a random field. Unfortunately, computing the distribution of the supremum of the random field is not easy and requires satisfying many distributional assumptions that may not be true in real data. Thus, there is a need to come up with a different framework that does not use the traditional statistical hypothesis testing paradigm that requires to compute p-values. With this as a motivation, we can use a different approach called the logistic regression that does not require computing the p-value and still be able to localize the regions of brain network differences (Flury 1997, Hastie et al. 2003, Chung et al. 2008). Unlike other discriminant and classification techniques that tried to classify preselected feature vectors, the method here does not require any preselected feature vectors and performs the classification at each edge level (Higdon et al. 2004, Shen et al. 2004, Thomaz et al. 2006).

This paper revisits spectral graph convolutional neural networks (graph-CNNs) given in Defferrard (2016) and develops the Laplace-Beltrami CNN (LB-CNN) by replacing the graph Laplacian with the LB operator. We then define spectral filters via the LB operator on a graph. We explore the feasibility of Chebyshev, Laguerre, and Hermite polynomials to approximate LB-based spectral filters and define an update of the LB operator for pooling in the LBCNN. We employ the brain image data from Alzheimer's Disease Neuroimaging Initiative (ADNI) and demonstrate the use of the proposed LB-CNN. Based on the cortical thickness of the ADNI dataset, we showed that the LB-CNN didn't improve classification accuracy compared to the spectral graph-CNN. The three polynomials had a similar computational cost and showed comparable classification accuracy in the LB-CNN or spectral graph-CNN. Our findings suggest that even though the shapes of the three polynomials are different, deep learning architecture allows us to learn spectral filters such that the classification performance is not dependent on the type of the polynomials or the operators (graph Laplacian and LB operator).

In many human brain network studies, we do not have sufficient number (n) of images relative to the number (p) of voxels due to the prohibitively expensive cost of scanning enough subjects. Thus, brain network models usually suffer the small-n large-p problem. Such a problem is often remedied by sparse network models, which are usually solved numerically by optimizing L1-penalties. Unfortunately, due to the computational bottleneck associated with optimizing L1-penalties, it is not practical to apply such methods to construct large-scale brain networks at the voxel-level. In this paper, we propose a new scalable sparse network model using cross-correlations that bypass the computational bottleneck. Our model can build sparse brain networks at the voxel level with p > 25000. Instead of using a single sparse parameter that may not be optimal in other studies and datasets, the computational speed gain enables us to analyze the collection of networks at every possible sparse parameter in a coherent mathematical framework via persistent homology. The method is subsequently applied in determining the extent of heritability on a functional brain network at the voxel-level for the first time using twin fMRI.