Tingting Dan

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.

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.

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.