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.

This study, we introduce a novel Topological Cycle Graph Attention Network (CycGAT), designed to delineate a functional backbone within brain functional graphs--key pathways essential for signal transmission--from non-essential, redundant connections that form cycles around this core structure. We first introduce a cycle incidence matrix that establishes an independent cycle basis within a graph, mapping its relationship with edges. We propose a cycle graph convolution that leverages a cycle adjacency matrix, derived from the cycle incidence matrix, to specifically filter edge signals in a domain of cycles. Additionally, we strengthen the representation power of the cycle graph convolution by adding an attention mechanism, which is further augmented by the introduction of edge positional encodings in cycles, to enhance the topological awareness of CycGAT. We demonstrate CycGAT's localization through simulation and its efficacy on an ABCD study's fMRI data (n=8765), comparing it with baseline models. CycGAT outperforms these models, identifying a functional backbone with significantly fewer cycles, crucial for understanding neural circuits related to general intelligence. Our code will be released once accepted.

The concern about underlying discrimination hidden in machine learning (ML) models is increasing, as ML systems have been widely applied in more and more real-world scenarios and any discrimination hidden in them will directly affect human life. Many techniques have been developed to enhance fairness including commonly-used group fairness measures and several fairness-aware methods combining ensemble learning. However, existing fairness measures can only focus on one aspect -- either group or individual fairness, and the hard compatibility among them indicates a possibility of remaining biases even if one of them is satisfied. Moreover, existing mechanisms to boost fairness usually present empirical results to show validity, yet few of them discuss whether fairness can be boosted with certain theoretical guarantees. To address these issues, we propose a fairness quality measure named discriminative risk to reflect both individual and group fairness aspects. Furthermore, we investigate the properties of the proposed measure and propose first- and second-order oracle bounds to show that fairness can be boosted via ensemble combination with theoretical learning guarantees. The analysis is suitable for both binary and multi-class classification. A pruning method is also proposed to utilise our proposed measure and comprehensive experiments are conducted to evaluate the effectiveness of the proposed methods.

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).

We developed a convolution neural network (CNN) on semi-regular triangulated meshes whose vertices have 6 neighbours. The key blocks of the proposed CNN, including convolution and down-sampling, are directly defined in a vertex domain. By exploiting the ordering property of semi-regular meshes, the convolution is defined on a vertex domain with strong motivation from the spatial definition of classic convolution. Moreover, the down-sampling of a semi-regular mesh embedded in a 3D Euclidean space can achieve a down-sampling rate of 4, 16, 64, etc. We demonstrated the use of this vertex-based graph CNN for the classification of mild cognitive impairment (MCI) and Alzheimer's disease (AD) based on 3169 MRI scans of the Alzheimer's Disease Neuroimaging Initiative (ADNI). We compared the performance of the vertex-based graph CNN with that of the spectral graph CNN.