Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the 1-dimensional Weisfeiler-Lehman (1-WL) test. Although a number of k-WL-based GNNs have been proposed to overcome this limitation, their computational cost increases rapidly with k, significantly restricting the practical applicability. Moreover, since the k-WL models mainly operate on node tuples, these k-WL-based GNNs cannot retain fine-grained node- or edge-level semantics required by attribution methods (e.g., Integrated Gradients), leading to the less interpretable problem. To overcome the above shortcomings, in this paper, we propose a novel Line Graph Aggregation Network (LGAN), that constructs a line graph from the induced subgraph centered at each node to perform the higher-order aggregation. We theoretically prove that the LGAN not only possesses the greater expressive power than the 2-WL under injective aggregation assumptions, but also has lower time complexity. Empirical evaluations on benchmarks demonstrate that the LGAN outperforms state-of-the-art k-WL-based GNNs, while offering better interpretability.

Magnetic resonance imaging (MRI) is an indispensable tool for clinical knee examination, which often scans 2D stacked slices from multiple views. Radiologists typically locate lesion regions in one view, and then refer to other views to formulate a comprehensive diagnosis. However, existing computer-aided diagnosis methods fall short of identifying and fusing local regions in multi-view scans, leading to a decline in diagnostic performance and a heavy reliance on extensively annotated data. This paper introduces a novel framework that represents multi-view MRI scans as a knee graph, and conducts diagnosis using the proposed Knee Graph Network (KGNet). Moreover, KGNet is greatly enhanced by multi-task pre-training, which requires KGNet to reconstruct masked knee local patches and segment unmasked ones working alongside corresponding decoders. Experimental evaluations on public and in-house clinical datasets confirm that our framework outperforms existing approaches in diagnosing cartilage defects, anterior cruciate ligament tears, and knee abnormalities. In conclusion, our framework demonstrates the potential of enhancing knee disease diagnosis by representing multi-view MRI scans as a graph and employing multi-task pre-training in the graph network. The code is publicly available at https://github.com/zixuzhuang/KGNet.

This paper proposes a family of Aligned Entropic Graph Kernels (AEGK) for graph classification, based on the Averaged Mixing Matrix (AMM) of Continuous-time Quantum Walks (CTQWs). Specifically, we show how the AMM matrix allows us to compute a quantum Shannon entropy of each vertex for either un-attributed or attributed graphs. For pairwise graphs, the proposed AEGK kernels are defined by computing the kernel-based similarity between the quantum Shannon entropies of their pairwise aligned vertices. Theoretical analysis reveals that the AEGK kernels can not only integrate the structural correspondence information between graphs, but also discriminate the structural differences between aligned vertices. Moreover, the AEGK kernels can simultaneously capture both global and local structural characteristics through the quantum Shannon entropies. These theoretical properties explain the effectiveness.

In this work, we develop a family of Aligned Entropic Graph Kernels (AEGK) for graph classification. We commence by performing the Continuous-time Quantum Walk (CTQW) on each graph structure, and compute the Averaged Mixing Matrix (AMM) to describe how the CTQW visits all vertices from a starting vertex. More specifically, we show how this AMM matrix allows us to compute a quantum Shannon entropy of each vertex for either un-attributed or attributed graphs. For pairwise graphs, the proposed AEGK kernels are defined by computing the kernel-based similarity between the quantum Shannon entropies of their pairwise aligned vertices. The analysis of theoretical properties reveals that the proposed AEGK kernels cannot only address the shortcoming of neglecting the structural correspondence information between graphs arising in most existing R-convolution graph kernels, but also overcome the problems of neglecting the structural differences and vertex-attributed information arising in existing vertex-based matching kernels. Moreover, unlike most existing classical graph kernels that only focus on the global or local structural information of graphs, the proposed AEGK kernels can simultaneously capture both global and local structural characteristics through the quantum Shannon entropies, reflecting more precise kernel-based similarity measures between pairwise graphs. The above theoretical properties explain the effectiveness of the proposed AEGK kernels. Experimental evaluations demonstrate that the proposed kernels can outperform state-of-the-art graph kernels and deep learning models for graph classification.

Brain serves as a critical cornerstone of human intelligence, which involves a series of complex neuropsychological activities that lead to the coordination of various functions in the brain network. In recent years, brain network analysis methods based on graph neural networks (GNNs) have attracted increasing attention for the identification of brain disorders. However, these methods generally assume that the brain network is a homogeneous graph while ignoring its heterogeneity among human brain activities, which is reflected in both the complex connectivity of the brain network and distinctive brain functions. To overcome this problem, we propose a heterogeneous subdivision GNN (HSGNN), which captures the heterogeneous connections and functions of the brain network simultaneously. Specifically, we first employ two fundamental brain connectivity patterns to capture both statistical dependency and directional information flow among different brain regions and construct a heterogeneous brain connectivity network for each subject. Then, we develop a functional subdivision method that encodes brain networks into multiple latent feature subspaces corresponding to heterogeneous brain functions and extracts features of brain networks accordingly. Considering the intricate interactions of brain functions to facilitate cognitive activities within the brain network, we further employ the self-attention mechanism to obtain comprehensive representations of brain networks in a joint latent space. Finally, we propose a composite loss function to train the model for obtaining the heterogeneous brain network representation, which can be utilized for disease classification. The experimental results in the Alzheimer's Disease Neuroimaging Initiative (ADNI) and Autism Brain Imaging Data Exchange (ABIDE) datasets demonstrate that our method outperforms several state-of-the-art (SOTA) methods to identify different types of brain cognitive-related disorders.

Depression is a serious mental disorder with complex etiology, exhibiting strong heterogeneity in clinical manifestations such as various subtypes. Research on depression subtypes may deepen the understanding of the disease, contributing to the diagnosis and prognosis. While brain functional network and graph neural networks (GNNs) provide such a means, the task is still challenged by limited feature encoding from the informative fMRI data, ineffective information fusion of brain functional network, and small size of the recruited subjects. Therefore, we propose a hierarchical encoding and fusion framework of brain functions. First, we pre-train a model to extract the features from individual brain regions, which signify nodes in the brain functional network. Then, distinct graphs are constructed to link the nodes within each subject, resulting in multi-view graphs of the brain functional network. We further develop a graph fusion strategy to integrate the multi-view information, by referring to the local encoding of the nodes and their interactions across multiple graph instances. Finally, we attain the classification of depression subtypes based on the fused graph representation. The experimental results demonstrate that our method can superiorly distinguish major depression subtypes and outperform the state-of-the-art methods.

Medical image segmentation methods are generally designed as fully-supervised to guarantee model performance, which requires a significant amount of expert annotated samples that are high-cost and laborious. Semi-supervised image segmentation can alleviate the problem by utilizing a large number of unlabeled images along with limited labeled images. However, learning a robust representation from numerous unlabeled images remains challenging due to potential noise in pseudo labels and insufficient class separability in feature space, which undermines the performance of current semi-supervised segmentation approaches. To address the issues above, we propose a novel semi-supervised segmentation method named as Rectified Contrastive Pseudo Supervision (RCPS), which combines a rectified pseudo supervision and voxel-level contrastive learning to improve the effectiveness of semi-supervised segmentation. Particularly, we design a novel rectification strategy for the pseudo supervision method based on uncertainty estimation and consistency regularization to reduce the noise influence in pseudo labels. Furthermore, we introduce a bidirectional voxel contrastive loss in the network to ensure intra-class consistency and inter-class contrast in feature space, which increases class separability in the segmentation. The proposed RCPS segmentation method has been validated on two public datasets and an in-house clinical dataset. Experimental results reveal that the proposed method yields better segmentation performance compared with the state-of-the-art methods in semi-supervised medical image segmentation. The source code is available at https://github.com/hsiangyuzhao/RCPS.

Resting-state fMRI (rs-fMRI) is an effective tool for quantifying functional connectivity (FC), which plays a crucial role in exploring various brain diseases. Due to the high dimensionality of fMRI data, FC is typically computed based on the region of interest (ROI), whose parcellation relies on a pre-defined atlas. However, utilizing the brain atlas poses several challenges including 1) subjective selection bias in choosing from various brain atlases, 2) parcellation of each subject's brain with the same atlas yet disregarding individual specificity; 3) lack of interaction between brain region parcellation and downstream ROI-based FC analysis. To address these limitations, we propose a novel randomizing strategy for generating brain function representation to facilitate neural disease diagnosis. Specifically, we randomly sample brain patches, thus avoiding ROI parcellations of the brain atlas. Then, we introduce a new brain function representation framework for the sampled patches. Each patch has its function description by referring to anchor patches, as well as the position description. Furthermore, we design an adaptive-selection-assisted Transformer network to optimize and integrate the function representations of all sampled patches within each brain for neural disease diagnosis. To validate our framework, we conduct extensive evaluations on three datasets, and the experimental results establish the effectiveness and generality of our proposed method, offering a promising avenue for advancing neural disease diagnosis beyond the confines of traditional atlas-based methods. Our code is available at https://github.com/mjliu2020/RandomFR.

Knee osteoarthritis (OA) is the most common osteoarthritis and a leading cause of disability. Cartilage defects are regarded as major manifestations of knee OA, which are visible by magnetic resonance imaging (MRI). Thus early detection and assessment for knee cartilage defects are important for protecting patients from knee OA. In this way, many attempts have been made on knee cartilage defect assessment by applying convolutional neural networks (CNNs) to knee MRI. However, the physiologic characteristics of the cartilage may hinder such efforts: the cartilage is a thin curved layer, implying that only a small portion of voxels in knee MRI can contribute to the cartilage defect assessment; heterogeneous scanning protocols further challenge the feasibility of the CNNs in clinical practice; the CNN-based knee cartilage evaluation results lack interpretability. To address these challenges, we model the cartilages structure and appearance from knee MRI into a graph representation, which is capable of handling highly diverse clinical data. Then, guided by the cartilage graph representation, we design a non-Euclidean deep learning network with the self-attention mechanism, to extract cartilage features in the local and global, and to derive the final assessment with a visualized result. Our comprehensive experiments show that the proposed method yields superior performance in knee cartilage defect assessment, plus its convenient 3D visualization for interpretability.

In clinical practice, multi-modal magnetic resonance imaging (MRI) with different contrasts is usually acquired in a single study to assess different properties of the same region of interest in the human body. The whole acquisition process can be accelerated by having one or more modalities under-sampled in the k -space. Recent research has shown that, considering the redundancy between different modalities, a target MRI modality under-sampled in the k -space can be more efficiently reconstructed with a fully-sampled reference MRI modality. However, we find that the performance of the aforementioned multi-modal reconstruction can be negatively affected by subtle spatial misalignment between different modalities, which is actually common in clinical practice. In this paper, we improve the quality of multi-modal reconstruction by compensating for such spatial misalignment with a spatial alignment network. First, our spatial alignment network estimates the displacement between the fully-sampled reference and the under-sampled target images, and warps the reference image accordingly. Then, the aligned fully-sampled reference image joins the multi-modal reconstruction of the under-sampled target image. Also, considering the contrast difference between the target and reference images, we have designed a cross-modality-synthesis-based registration loss in combination with the reconstruction loss, to jointly train the spatial alignment network and the reconstruction network. The experiments on both clinical MRI and multi-coil k -space raw data demonstrate the superiority and robustness of the multi-modal MRI reconstruction empowered with our spatial alignment network. Our code is publicly available at https://github.com/woxuankai/SpatialAlignmentNetwork.

Limb salvage surgery of malignant pelvic tumors is the most challenging procedure in musculoskeletal oncology due to the complex anatomy of the pelvic bones and soft tissues. It is crucial to accurately resect the pelvic tumors with appropriate margins in this procedure. However, there is still a lack of efficient and repetitive image planning methods for tumor identification and segmentation in many hospitals. In this paper, we present a novel deep learning-based method to accurately segment pelvic bone tumors in MRI. Our method uses a multi-view fusion network to extract pseudo-3D information from two scans in different directions and improves the feature representation by learning a relational context. In this way, it can fully utilize spatial information in thick MRI scans and reduce over-fitting when learning from a small dataset. Our proposed method was evaluated on two independent datasets collected from 90 and 15 patients, respectively. The segmentation accuracy of our method was superior to several comparing methods and comparable to the expert annotation, while the average time consumed decreased about 100 times from 1820.3 seconds to 19.2 seconds. In addition, we incorporate our method into an efficient workflow to improve the surgical planning process. Our workflow took only 15 minutes to complete surgical planning in a phantom study, which is a dramatic acceleration compared with the 2-day time span in a traditional workflow.

Semantic segmentation is essentially important to biomedical image analysis. Many recent works mainly focus on integrating the Fully Convolutional Network (FCN) architecture with sophisticated convolution implementation and deep supervision. Such complex networks need large training datasets, a requirement which is challenging for medical image analysis. In this paper, we propose to decompose the single segmentation task into three subsequent sub-tasks, including (1) pixel-wise image semantic segmentation, (2) prediction of the instance class labels of the objects within the image, and (3) classification of the scene the image belonging to. While these three sub-tasks are trained to optimize their individual loss functions at different perceptual levels, we propose to allow their interaction within the task-task context ensemble. Moreover, we propose a novel sync-regularization to penalize the deviation between the outputs of the pixel-wise semantic segmentation and the instance class prediction tasks. These effective regularizations help FCN utilize context information comprehensively and attain accurate segmentation, even though the number of images for training may be limited in many biomedical applications. We have successfully applied our framework to three diverse 2D/3D medical image datasets, including Robotic Scene Segmentation Challenge 18 (ROBOT18), Brain Tumor Segmentation Challenge 18 (BRATS18), and Retinal Fundus Glaucoma Challenge (REFUGE18). We have achieved outperformed or comparable performance in all the three challenges. Our code, typical data and trained models are available athttps://github.com/xuhuaren/TDSNet.

The resting-state functional magnetic resonance imaging (rs-fMRI) reflects functional activity of brain regions by blood-oxygen-level dependent (BOLD) signals. Up to now, many computer-aided diagnosis methods based on rs-fMRI have been developed for Autism Spectrum Disorder (ASD). These methods are mostly the binary classification approaches to determine whether a subject is an ASD patient or not. However, the disease often consists of several sub-categories, which are complex and thus still confusing to many automatic classification methods. Besides, existing methods usually focus on the functional connectivity (FC) features in grey matter regions, which only account for a small portion of the rs-fMRI data. Recently, the possibility to reveal the connectivity information in the white matter regions of rs-fMRI has drawn high attention. To this end, we propose to use the patch-based functional correlation tensor (PBFCT) features extracted from rs-fMRI in white matter, in addition to the traditional FC features from gray matter, to develop a novel multi-class ASD diagnosis method in this work. Our method has two stages. Specifically, in the first stage of multi-source domain adaptation (MSDA), the source subjects belonging to multiple clinical centers (thus called as source domains) are all transformed into the same target feature space. Thus each subject in the target domain can be linearly reconstructed by the transformed subjects. In the second stage of multi-view sparse representation (MVSR), a multi-view classifier for multi-class ASD diagnosis is developed by jointly using both views of the FC and PBFCT features. The experimental results using the ABIDE dataset verify the effectiveness of our method, which is capable of accurately classifying each subject into a respective ASD sub-category.