Guorong Wu

LG
h-index42
22papers
87citations
Novelty53%
AI Score55

22 Papers

LGJun 2
Multi-Modal Graph Neural Network with Transformer-Guided Adaptive Diffusion for Preclinical Alzheimer Classification

Jaeyoon Sim, Minjae Lee, Guorong Wu et al.

The graphical representation of the brain offers critical insights into diagnosing and prognosing neurodegenerative disease via relationships between regions of interest (ROIs). Despite recent emergence of various Graph Neural Networks (GNNs) to effectively capture the relational information, there remain inherent limitations in interpreting the brain networks. Specifically, convolutional approaches ineffectively aggregate information from distant neighborhoods, while attention-based methods exhibit deficiencies in capturing node-centric information, particularly in retaining critical characteristics from pivotal nodes. These shortcomings reveal challenges for identifying disease-specific variation from diverse features from different modalities. In this regard, we propose an integrated framework guiding diffusion process at each node by a downstream transformer where both short- and long-range properties of graphs are aggregated via diffusion-kernel and multi-head attention respectively. We demonstrate the superiority of our model by improving performance of pre-clinical Alzheimer's disease (AD) classification with various modalities. Also, our model adeptly identifies key ROIs that are closely associated with the preclinical stages of AD, marking a significant potential for early diagnosis and prevision of the disease.

LGJun 2
Learning Multi-Scale Hypergraph for High-Order Brain Connectivity Analysis

Jaeyoon Sim, Soojin Hwang, Seunghun Baek et al.

Understanding complex interactions between brain regions is critical for early neurodegenerative disease classification such as Alzheimer's Disease (AD) and Parkinson's Disease (PD). While graph-based models are widely used to analyze brain networks, most existing approaches primarily focus on pairwise interactions between directly connected nodes, limiting their ability to capture higher-order dependencies across multiple regions. Although hypergraph-based methods have been proposed to model higher-order relations, many rely on predefined hyperedges or restrict learning to hyperedge weights, reducing flexibility and limiting their capacity to capture multi-resolution structural patterns. In this regard, we introduce an adaptive multi-scale hyperedge learning framework, i.e., MuHL, which constructs hierarchical node features and dynamically learns high-order interactions through continuous hyperedge construction over multi-resolution graph signals. Extensive experiments on multiple brain network benchmarks demonstrate that MuHL consistently improves disease classification performance across different stages, and further identifies key regions of interest (ROIs) and their group-wise interactions from the learned hyperedges that are associated with disease progression, highlighting its potential as a powerful tool for brain network analysis in neurodegenerative disorders.

AIJun 5, 2023
DeepGraphDMD: Interpretable Spatio-Temporal Decomposition of Non-linear Functional Brain Network Dynamics

Md Asadullah Turja, Martin Styner, Guorong Wu

Functional brain dynamics is supported by parallel and overlapping functional network modes that are associated with specific neural circuits. Decomposing these network modes from fMRI data and finding their temporal characteristics is challenging due to their time-varying nature and the non-linearity of the functional dynamics. Dynamic Mode Decomposition (DMD) algorithms have been quite popular for solving this decomposition problem in recent years. In this work, we apply GraphDMD -- an extension of the DMD for network data -- to extract the dynamic network modes and their temporal characteristics from the fMRI time series in an interpretable manner. GraphDMD, however, regards the underlying system as a linear dynamical system that is sub-optimal for extracting the network modes from non-linear functional data. In this work, we develop a generalized version of the GraphDMD algorithm -- DeepGraphDMD -- applicable to arbitrary non-linear graph dynamical systems. DeepGraphDMD is an autoencoder-based deep learning model that learns Koopman eigenfunctions for graph data and embeds the non-linear graph dynamics into a latent linear space. We show the effectiveness of our method in both simulated data and the HCP resting-state fMRI data. In the HCP data, DeepGraphDMD provides novel insights into cognitive brain functions by discovering two major network modes related to fluid and crystallized intelligence.

LGJul 1, 2023
Re-Think and Re-Design Graph Neural Networks in Spaces of Continuous Graph Diffusion Functionals

Tingting Dan, Jiaqi Ding, Ziquan Wei et al.

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture long-range dependencies and global patterns in graphs. To address this, we propose a new inductive bias based on variational analysis, drawing inspiration from the Brachistochrone problem. Our framework establishes a mapping between discrete GNN models and continuous diffusion functionals. This enables the design of application-specific objective functions in the continuous domain and the construction of discrete deep models with mathematical guarantees. To tackle over-smoothing in GNNs, we analyze the existing layer-by-layer graph embedding models and identify that they are equivalent to l2-norm integral functionals of graph gradients, which cause over-smoothing. Similar to edge-preserving filters in image denoising, we introduce total variation (TV) to align the graph diffusion pattern with global community topologies. Additionally, we devise a selective mechanism to address the trade-off between model depth and over-smoothing, which can be easily integrated into existing GNNs. Furthermore, we propose a novel generative adversarial network (GAN) that predicts spreading flows in graphs through a neural transport equation. To mitigate vanishing flows, we customize the objective function to minimize transportation within each community while maximizing inter-community flows. Our GNN models achieve state-of-the-art (SOTA) performance on popular graph learning benchmarks such as Cora, Citeseer, and Pubmed.

QMOct 12, 2022
Pathology Steered Stratification Network for Subtype Identification in Alzheimer's Disease

Enze Xu, Jingwen Zhang, Jiadi Li et al.

Alzheimer's disease (AD) is a heterogeneous, multifactorial neurodegenerative disorder characterized by beta-amyloid, pathologic tau, and neurodegeneration. There are no effective treatments for Alzheimer's disease at a late stage, urging for early intervention. However, existing statistical inference approaches of AD subtype identification ignore the pathological domain knowledge, which could lead to ill-posed results that are sometimes inconsistent with the essential neurological principles. Integrating systems biology modeling with machine learning, we propose a novel pathology steered stratification network (PSSN) that incorporates established domain knowledge in AD pathology through a reaction-diffusion model, where we consider non-linear interactions between major biomarkers and diffusion along brain structural network. Trained on longitudinal multimodal neuroimaging data, the biological model predicts long-term trajectories that capture individual progression pattern, filling in the gaps between sparse imaging data available. A deep predictive neural network is then built to exploit spatiotemporal dynamics, link neurological examinations with clinical profiles, and generate subtype assignment probability on an individual basis. We further identify an evolutionary disease graph to quantify subtype transition probabilities through extensive simulations. Our stratification achieves superior performance in both inter-cluster heterogeneity and intra-cluster homogeneity of various clinical scores. Applying our approach to enriched samples of aging populations, we identify six subtypes spanning AD spectrum, where each subtype exhibits a distinctive biomarker pattern that is consistent with its clinical outcome. PSSN provides insights into pre-symptomatic diagnosis and practical guidance on clinical treatments, which may be further generalized to other neurodegenerative diseases.

NCSep 26, 2024
NeuroPath: A Neural Pathway Transformer for Joining the Dots of Human Connectomes

Ziquan Wei, Tingting Dan, Jiaqi Ding et al.

Although modern imaging technologies allow us to study connectivity between two distinct brain regions in-vivo, an in-depth understanding of how anatomical structure supports brain function and how spontaneous functional fluctuations emerge remarkable cognition is still elusive. Meanwhile, tremendous efforts have been made in the realm of machine learning to establish the nonlinear mapping between neuroimaging data and phenotypic traits. However, the absence of neuroscience insight in the current approaches poses significant challenges in understanding cognitive behavior from transient neural activities. To address this challenge, we put the spotlight on the coupling mechanism of structural connectivity (SC) and functional connectivity (FC) by formulating such network neuroscience question into an expressive graph representation learning problem for high-order topology. Specifically, we introduce the concept of topological detour to characterize how a ubiquitous instance of FC (direct link) is supported by neural pathways (detour) physically wired by SC, which forms a cyclic loop interacted by brain structure and function. In the cliché of machine learning, the multi-hop detour pathway underlying SC-FC coupling allows us to devise a novel multi-head self-attention mechanism within Transformer to capture multi-modal feature representation from paired graphs of SC and FC. Taken together, we propose a biological-inspired deep model, coined as NeuroPath, to find putative connectomic feature representations from the unprecedented amount of neuroimages, which can be plugged into various downstream applications such as task recognition and disease diagnosis. We have evaluated NeuroPath on large-scale public datasets including HCP and UK Biobank under supervised and zero-shot learning, where the state-of-the-art performance by our NeuroPath indicates great potential in network neuroscience.

LGSep 17, 2024
Machine Learning on Dynamic Functional Connectivity: Promise, Pitfalls, and Interpretations

Jiaqi Ding, Tingting Dan, Ziquan Wei et al.

An unprecedented amount of existing functional Magnetic Resonance Imaging (fMRI) data provides a new opportunity to understand the relationship between functional fluctuation and human cognition/behavior using a data-driven approach. To that end, tremendous efforts have been made in machine learning to predict cognitive states from evolving volumetric images of blood-oxygen-level-dependent (BOLD) signals. Due to the complex nature of brain function, however, the evaluation on learning performance and discoveries are not often consistent across current state-of-the-arts (SOTA). By capitalizing on large-scale existing neuroimaging data (34,887 data samples from six public databases), we seek to establish a well-founded empirical guideline for designing deep models for functional neuroimages by linking the methodology underpinning with knowledge from the neuroscience domain. Specifically, we put the spotlight on (1) What is the current SOTA performance in cognitive task recognition and disease diagnosis using fMRI? (2) What are the limitations of current deep models? and (3) What is the general guideline for selecting the suitable machine learning backbone for new neuroimaging applications? We have conducted a comprehensive evaluation and statistical analysis, in various settings, to answer the above outstanding questions.

NCNov 10, 2025
De-Individualizing fMRI Signals via Mahalanobis Whitening and Bures Geometry

Aaron Jacobson, Tingting Dan, Martin Styner et al.

Functional connectivity has been widely investigated to understand brain disease in clinical studies and imaging-based neuroscience, and analyzing changes in functional connectivity has proven to be valuable for understanding and computationally evaluating the effects on brain function caused by diseases or experimental stimuli. By using Mahalanobis data whitening prior to the use of dimensionality reduction algorithms, we are able to distill meaningful information from fMRI signals about subjects and the experimental stimuli used to prompt them. Furthermore, we offer an interpretation of Mahalanobis whitening as a two-stage de-individualization of data which is motivated by similarity as captured by the Bures distance, which is connected to quantum mechanics. These methods have potential to aid discoveries about the mechanisms that link brain function with cognition and behavior and may improve the accuracy and consistency of Alzheimer's diagnosis, especially in the preclinical stage of disease progression.

LGJan 20
GeoDynamics: A Geometric State-Space Neural Network for Understanding Brain Dynamics on Riemannian Manifolds

Tingting Dan, Jiaqi Ding, Guorong Wu

State-space models (SSMs) have become a cornerstone for unraveling brain dynamics, revealing how latent neural states evolve over time and give rise to observed signals. By combining the flexibility of deep learning with the principled dynamical structure of SSMs, recent studies have achieved powerful fits to functional neuroimaging data. However, most existing approaches still view the brain as a set of loosely connected regions or impose oversimplified network priors, falling short of a truly holistic and self-organized dynamical system perspective. Brain functional connectivity (FC) at each time point naturally forms a symmetric positive definite (SPD) matrix, which resides on a curved Riemannian manifold rather than in Euclidean space. Capturing the trajectories of these SPD matrices is key to understanding how coordinated networks support cognition and behavior. To this end, we introduce GeoDynamics, a geometric state-space neural network that tracks latent brain-state trajectories directly on the high-dimensional SPD manifold. GeoDynamics embeds each connectivity matrix into a manifold-aware recurrent framework, learning smooth and geometry-respecting transitions that reveal task-driven state changes and early markers of Alzheimer's disease, Parkinson's disease, and autism. Beyond neuroscience, we validate GeoDynamics on human action recognition benchmarks (UTKinect, Florence, HDM05), demonstrating its scalability and robustness in modeling complex spatiotemporal dynamics across diverse domains.

AIMay 10
Marrying Generative Model of Healthcare Events with Digital Twin of Social Determinants of Health for Disease Reasoning

Ziquan Wei, Tingting Dan, Guorong Wu

Despite the central role of sensor-derived measurements such as imaging traits and plasma biomarkers in biomedical research and clinical practice, existing generative models for disease prediction largely depend on event-level representations from hospital and registry data. Given the multi-factorial nature of human disease, the absence of explicit modeling of social determinants of health (SDoH), even in the limited form of ICD-coded proxies (chapters Z and V--Y in ICD-10), limits the capacity for personalized disease modeling and clinical decision support. To address this limitation, we propose a generative model with ICD-coded proxies of SDoH for \textit{in silico} modeling of disease reasoning, a conditioned latent diffusion framework that establishes the connection between multi-organ sensor data with tokenized healthcare events. Specifically, we introduce a novel geometric diffusion model to characterize the temporal evolution of complex data representation such as brain networks (region-to-region connectivity encoded in a graph), in parallel with diffusion models for tabular data from other organ systems. Together, we integrate the generative model with digitalized SDoH proxies (coined \modelname{}) for simulated intervention and reasoning of future disease trajectories. We conduct extensive experiments on the UK Biobank (UKB) dataset, which contains organ-specific imaging traits, including brain (44,834), heart (23,987), liver (28,722), and kidney (32,155), along with nearly 500k medical history sequences (age range: 25$\sim$89 years). Our \modelname{} achieves significant improvements over state-of-the-art human disease autoregressive models and imaging trait generative baselines.

AIDec 23, 2024Code
BrainMAP: Learning Multiple Activation Pathways in Brain Networks

Song Wang, Zhenyu Lei, Zhen Tan et al.

Functional Magnetic Resonance Image (fMRI) is commonly employed to study human brain activity, since it offers insight into the relationship between functional fluctuations and human behavior. To enhance analysis and comprehension of brain activity, Graph Neural Networks (GNNs) have been widely applied to the analysis of functional connectivities (FC) derived from fMRI data, due to their ability to capture the synergistic interactions among brain regions. However, in the human brain, performing complex tasks typically involves the activation of certain pathways, which could be represented as paths across graphs. As such, conventional GNNs struggle to learn from these pathways due to the long-range dependencies of multiple pathways. To address these challenges, we introduce a novel framework BrainMAP to learn Multiple Activation Pathways in Brain networks. BrainMAP leverages sequential models to identify long-range correlations among sequentialized brain regions and incorporates an aggregation module based on Mixture of Experts (MoE) to learn from multiple pathways. Our comprehensive experiments highlight BrainMAP's superior performance. Furthermore, our framework enables explanatory analyses of crucial brain regions involved in tasks. Our code is provided at https://github.com/LzyFischer/Graph-Mamba.

NCMay 3
From Cortical Synchronous Rhythm to Brain Inspired Learning Mechanism: An Oscillatory Spiking Neural Network with Time-Delayed Coordination

Tingting Dan, Guorong Wu

Human cognition emerges from coordinated spiking dynamics in distributed neural circuits, where information is encoded via both firing rates and precise spike timing determined by brain rhythms. Inspired by this notion, we propose a brain-inspired learning primitive in which cognition-level neural synchrony emerges through iterative bottom-up and top-down interactions between micro-scale dynamics of spiking neurons and a macro-scale mechanism of oscillatory synchronization. Specifically, we model each parcel (e.g., a cortical region or an image pixel) in the target system as a spiking neuron embedded in a predefined connectivity scaffold. Low-level information is encoded in a spatiotemporal domain, where neurons are selectively grouped and fire spontaneously over time through self-organized dynamics. In the bottom-up route, oscillatory synchronization is formed from past spiking activity accumulated over a finite memory window. Since brain dynamics operate in a regime of partial and transient synchronization rather than global phase locking, we model oscillatory coordination using a time-delayed synchronization formulation, which enables a top-down modulation of heterogeneous neural spiking for a large-scale distributed system. Together, we devise a spiking-by-synchronization neural network (S2-Net) that uses rhythmic timing as a control mechanism for efficient information processing. Promising results have been achieved across a broad range of tasks, including neural activity decoding, energy-efficient signal processing, temporal binding and semantic reasoning.

LGJan 22, 2024
Learning to Approximate Adaptive Kernel Convolution on Graphs

Jaeyoon Sim, Sooyeon Jeon, InJun Choi et al.

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers increases. The issue stems from the intrinsic formulation of conventional graph convolution where the nodal features are aggregated from a direct neighborhood per layer across the entire nodes in the graph. As setting different number of hidden layers per node is infeasible, recent works leverage a diffusion kernel to redefine the graph structure and incorporate information from farther nodes. Unfortunately, such approaches suffer from heavy diagonalization of a graph Laplacian or learning a large transform matrix. In this regards, we propose a diffusion learning framework, where the range of feature aggregation is controlled by the scale of a diffusion kernel. For efficient computation, we derive closed-form derivatives of approximations of the graph convolution with respect to the scale, so that node-wise range can be adaptively learned. With a downstream classifier, the entire framework is made trainable in an end-to-end manner. Our model is tested on various standard datasets for node-wise classification for the state-of-the-art performance, and it is also validated on a real-world brain network data for graph classifications to demonstrate its practicality for Alzheimer classification.

LGMar 3, 2025
Learning Covariance-Based Multi-Scale Representation of Neuroimaging Measures for Alzheimer Classification

Seunghun Baek, Injun Choi, Mustafa Dere et al.

Stacking excessive layers in DNN results in highly underdetermined system when training samples are limited, which is very common in medical applications. In this regard, we present a framework capable of deriving an efficient high-dimensional space with reasonable increase in model size. This is done by utilizing a transform (i.e., convolution) that leverages scale-space theory with covariance structure. The overall model trains on this transform together with a downstream classifier (i.e., Fully Connected layer) to capture the optimal multi-scale representation of the original data which corresponds to task-specific components in a dual space. Experiments on neuroimaging measures from Alzheimer's Disease Neuroimaging Initiative (ADNI) study show that our model performs better and converges faster than conventional models even when the model size is significantly reduced. The trained model is made interpretable using gradient information over the multi-scale transform to delineate personalized AD-specific regions in the brain.

IVMar 3, 2025
OCL: Ordinal Contrastive Learning for Imputating Features with Progressive Labels

Seunghun Baek, Jaeyoon Sim, Guorong Wu et al.

Accurately discriminating progressive stages of Alzheimer's Disease (AD) is crucial for early diagnosis and prevention. It often involves multiple imaging modalities to understand the complex pathology of AD, however, acquiring a complete set of images is challenging due to high cost and burden for subjects. In the end, missing data become inevitable which lead to limited sample-size and decrease in precision in downstream analyses. To tackle this challenge, we introduce a holistic imaging feature imputation method that enables to leverage diverse imaging features while retaining all subjects. The proposed method comprises two networks: 1) An encoder to extract modality-independent embeddings and 2) A decoder to reconstruct the original measures conditioned on their imaging modalities. The encoder includes a novel {\em ordinal contrastive loss}, which aligns samples in the embedding space according to the progression of AD. We also maximize modality-wise coherence of embeddings within each subject, in conjunction with domain adversarial training algorithms, to further enhance alignment between different imaging modalities. The proposed method promotes our holistic imaging feature imputation across various modalities in the shared embedding space. In the experiments, we show that our networks deliver favorable results for statistical analysis and classification against imputation baselines with Alzheimer's Disease Neuroimaging Initiative (ADNI) study.

IVMar 3, 2025
Modality-Agnostic Style Transfer for Holistic Feature Imputation

Seunghun Baek, Jaeyoon Sim, Mustafa Dere et al.

Characterizing a preclinical stage of Alzheimer's Disease (AD) via single imaging is difficult as its early symptoms are quite subtle. Therefore, many neuroimaging studies are curated with various imaging modalities, e.g., MRI and PET, however, it is often challenging to acquire all of them from all subjects and missing data become inevitable. In this regards, in this paper, we propose a framework that generates unobserved imaging measures for specific subjects using their existing measures, thereby reducing the need for additional examinations. Our framework transfers modality-specific style while preserving AD-specific content. This is done by domain adversarial training that preserves modality-agnostic but AD-specific information, while a generative adversarial network adds an indistinguishable modality-specific style. Our proposed framework is evaluated on the Alzheimer's Disease Neuroimaging Initiative (ADNI) study and compared with other imputation methods in terms of generated data quality. Small average Cohen's $d$ $< 0.19$ between our generated measures and real ones suggests that the synthetic data are practically usable regardless of their modality type.

LGOct 23, 2025
Understanding Mechanistic Role of Structural and Functional Connectivity in Tau Propagation Through Multi-Layer Modeling

Tingting Dan, Xinwei Huang, Jiaqi Ding et al.

Emerging neuroimaging evidence shows that pathological tau proteins build up along specific brain networks, suggesting that large-scale network architecture plays a key role in the progression of Alzheimer's disease (AD). However, how structural connectivity (SC) and functional connectivity (FC) interact to influence tau propagation remains unclear. Leveraging an unprecedented volume of longitudinal neuroimaging data, we examine SC-FC interactions through a multi-layer graph diffusion model. Beyond showing that connectome architecture constrains tau spread, our model reveals a regionally asymmetric contribution of SC and FC. Specifically, FC predominantly drives tau spread in subcortical areas, the insula, frontal and temporal cortices, whereas SC plays a larger role in occipital, parietal, and limbic regions. The relative dominance of SC versus FC shifts over the course of disease, with FC generally prevailing in early AD and SC becoming primary in later stages. Spatial patterns of SC- and FC-dominant regions strongly align with the regional expression of AD-associated genes involved in inflammation, apoptosis, and lysosomal function, including CHUK (IKK-alpha), TMEM106B, MCL1, NOTCH1, and TH. In parallel, other non-modifiable risk factors (e.g., APOE genotype, sex) and biological mechanisms (e.g., amyloid deposition) selectively reshape tau propagation by shifting dominant routes between anatomical and functional pathways in a region-specific manner. Findings are validated in an independent AD cohort.

LGOct 21, 2025
Large Connectome Model: An fMRI Foundation Model of Brain Connectomes Empowered by Brain-Environment Interaction in Multitask Learning Landscape

Ziquan Wei, Tingting Dan, Guorong Wu

A reliable foundation model of functional neuroimages is critical to promote clinical applications where the performance of current AI models is significantly impeded by a limited sample size. To that end, tremendous efforts have been made to pretraining large models on extensive unlabeled fMRI data using scalable self-supervised learning. Since self-supervision is not necessarily aligned with the brain-to-outcome relationship, most foundation models are suboptimal to the downstream task, such as predicting disease outcomes. By capitalizing on rich environmental variables and demographic data along with an unprecedented amount of functional neuroimages, we form the brain modeling as a multitask learning and present a scalable model architecture for (i) multitask pretraining by tokenizing multiple brain-environment interactions (BEI) and (ii) semi-supervised finetuning by assigning pseudo-labels of pretrained BEI. We have evaluated our foundation model on a variety of applications, including sex prediction, human behavior recognition, and disease early diagnosis of Autism, Parkinson's disease, Alzheimer's disease, and {Schizophrenia}, where promising results indicate the great potential to facilitate current neuroimaging applications in clinical routines.

IVMar 1, 2025
NeuroSymAD: A Neuro-Symbolic Framework for Interpretable Alzheimer's Disease Diagnosis

Yexiao He, Ziyao Wang, Yuning Zhang et al.

Alzheimer's disease (AD) diagnosis is complex, requiring the integration of imaging and clinical data for accurate assessment. While deep learning has shown promise in brain MRI analysis, it often functions as a black box, limiting interpretability and lacking mechanisms to effectively integrate critical clinical data such as biomarkers, medical history, and demographic information. To bridge this gap, we propose NeuroSymAD, a neuro-symbolic framework that synergizes neural networks with symbolic reasoning. A neural network percepts brain MRI scans, while a large language model (LLM) distills medical rules to guide a symbolic system in reasoning over biomarkers and medical history. This structured integration enhances both diagnostic accuracy and explainability. Experiments on the ADNI dataset demonstrate that NeuroSymAD outperforms state-of-the-art methods by up to 2.91% in accuracy and 3.43% in F1-score while providing transparent and interpretable diagnosis.

LGFeb 12, 2024
Message Detouring: A Simple Yet Effective Cycle Representation for Expressive Graph Learning

Ziquan Wei, Tingting Dan, Guorong Wu

Graph learning is crucial in the fields of bioinformatics, social networks, and chemicals. Although high-order graphlets, such as cycles, are critical to achieving an informative graph representation for node classification, edge prediction, and graph recognition, modeling high-order topological characteristics poses significant computational challenges, restricting its widespread applications in machine learning. To address this limitation, we introduce the concept of \textit{message detouring} to hierarchically characterize cycle representation throughout the entire graph, which capitalizes on the contrast between the shortest and longest pathways within a range of local topologies associated with each graph node. The topological feature representations derived from our message detouring landscape demonstrate comparable expressive power to high-order \textit{Weisfeiler-Lehman} (WL) tests but much less computational demands. In addition to the integration with graph kernel and message passing neural networks, we present a novel message detouring neural network, which uses Transformer backbone to integrate cycle representations across nodes and edges. Aside from theoretical results, experimental results on expressiveness, graph classification, and node classification show message detouring can significantly outperform current counterpart approaches on various benchmark datasets.

IVJul 1, 2020
Learning Common Harmonic Waves on Stiefel Manifold -- A New Mathematical Approach for Brain Network Analyses

Jiazhou Chen, Guoqiang Han, Hongmin Cai et al.

Converging evidence shows that disease-relevant brain alterations do not appear in random brain locations, instead, its spatial pattern follows large scale brain networks. In this context, a powerful network analysis approach with a mathematical foundation is indispensable to understand the mechanism of neuropathological events spreading throughout the brain. Indeed, the topology of each brain network is governed by its native harmonic waves, which are a set of orthogonal bases derived from the Eigen-system of the underlying Laplacian matrix. To that end, we propose a novel connectome harmonic analysis framework to provide enhanced mathematical insights by detecting frequency-based alterations relevant to brain disorders. The backbone of our framework is a novel manifold algebra appropriate for inference across harmonic waves that overcomes the limitations of using classic Euclidean operations on irregular data structures. The individual harmonic difference is measured by a set of common harmonic waves learned from a population of individual Eigen systems, where each native Eigen-system is regarded as a sample drawn from the Stiefel manifold. Specifically, a manifold optimization scheme is tailored to find the common harmonic waves which reside at the center of Stiefel manifold. To that end, the common harmonic waves constitute the new neuro-biological bases to understand disease progression. Each harmonic wave exhibits a unique propagation pattern of neuro-pathological burdens spreading across brain networks. The statistical power of our novel connectome harmonic analysis approach is evaluated by identifying frequency-based alterations relevant to Alzheimer's disease, where our learning-based manifold approach discovers more significant and reproducible network dysfunction patterns compared to Euclidian methods.

CVDec 3, 2019
Learning Multi-resolution Graph Edge Embedding for Discovering Brain Network Dysfunction in Neurological Disorders

Xin Ma, Guorong Wu, Seong Jae Hwang et al.

Tremendous recent literature show that associations between different brain regions, i.e., brain connectivity, provide early symptoms of neurological disorders. Despite significant efforts made for graph neural network (GNN) techniques, their focus on graph nodes makes the state-of-the-art GNN methods not suitable for classifying brain connectivity as graphs where the objective is to characterize disease-relevant network dysfunction patterns on graph links. To address this issue, we propose Multi-resolution Edge Network (MENET) to detect disease-specific connectomic benchmarks with high discrimination power across diagnostic categories. The core of MENET is a novel graph edge-wise transform that we propose, which allows us to capture multi-resolution ``connectomic'' features. Using a rich set of the connectomic features, we devise a graph learning framework to jointly select discriminative edges and assign diagnostic labels for graphs. Experiments on two real datasets show that MENET accurately predicts diagnostic labels and identify brain connectivities highly associated with neurological disorders such as Alzheimer's Disease and Attention-Deficit/Hyperactivity Disorder.