Guangsi Shi

Zexing Zhao, Guangsi Shi, Yu Gong et al.

Graph Neural Networks (GNNs) have emerged as a cornerstone of deep learning, with most existing methods rooted in graph signal processing and diffusion equations to model message passing. However, these approaches inherently suffer from the oversmoothing problem, where node features become indistinguishable as the network depth increases. Inspired by the Navier Stokes equations, we introduce Graph Navier Stokes Networks (GNSN), a novel architecture that transcends conventional diffusion-based message passing by incorporating convection into graph structures. GNSN defines a dynamic velocity field on the graph to govern convection, enabling more efficient and direct message propagation. By adaptively balancing convection and diffusion, GNSN is able to efficiently handle datasets with varying levels of homophily. Extensive evaluations across twelve real-world datasets demonstrate that GNSN consistently outperforms state-of-the-art baselines in classification accuracy. Moreover, experimental results further emphasize its effectiveness in alleviating the oversmoothing problem.

Zexing Zhao, Guangsi Shi, Xiaopeng Wu et al.

Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning. Despite recent advances, existing methods still face challenges such as limited ability to generalize, and inadequate representation of learning from unlabeled data, especially for tasks specific to molecular structures. To address these limitations, we introduce DIG-Mol, a novel self-supervised graph neural network framework for molecular property prediction. This architecture leverages the power of contrast learning with dual interaction mechanisms and unique molecular graph enhancement strategies. DIG-Mol integrates a momentum distillation network with two interconnected networks to efficiently improve molecular characterization. The framework's ability to extract key information about molecular structure and higher-order semantics is supported by minimizing loss of contrast. We have established DIG-Mol's state-of-the-art performance through extensive experimental evaluation in a variety of molecular property prediction tasks. In addition to demonstrating superior transferability in a small number of learning scenarios, our visualizations highlight DIG-Mol's enhanced interpretability and representation capabilities. These findings confirm the effectiveness of our approach in overcoming challenges faced by traditional methods and mark a significant advance in molecular property prediction.

Hongye Cheng, Tianyu Wang, Guangsi Shi et al.

Co-speech gestures are crucial non-verbal cues that enhance speech clarity and expressiveness in human communication, which have attracted increasing attention in multimodal research. While the existing methods have made strides in gesture accuracy, challenges remain in generating diverse and coherent gestures, as most approaches assume independence among multimodal inputs and lack explicit modeling of their interactions. In this work, we propose a novel multimodal learning method named HOP for co-speech gesture generation that captures the heterogeneous entanglement between gesture motion, audio rhythm, and text semantics, enabling the generation of coordinated gestures. By leveraging spatiotemporal graph modeling, we achieve the alignment of audio and action. Moreover, to enhance modality coherence, we build the audio-text semantic representation based on a reprogramming module, which is beneficial for cross-modality adaptation. Our approach enables the trimodal system to learn each other's features and represent them in the form of topological entanglement. Extensive experiments demonstrate that HOP achieves state-of-the-art performance, offering more natural and expressive co-speech gesture generation. More information, codes, and demos are available here: https://star-uu-wang.github.io/HOP/

Ming Jin, Guangsi Shi, Yuan-Fang Li et al.

Time series forecasting has remained a focal point due to its vital applications in sectors such as energy management and transportation planning. Spectral-temporal graph neural network is a promising abstraction underlying most time series forecasting models that are based on graph neural networks (GNNs). However, more is needed to know about the underpinnings of this branch of methods. In this paper, we establish a theoretical framework that unravels the expressive power of spectral-temporal GNNs. Our results show that linear spectral-temporal GNNs are universal under mild assumptions, and their expressive power is bounded by our extended first-order Weisfeiler-Leman algorithm on discrete-time dynamic graphs. To make our findings useful in practice on valid instantiations, we discuss related constraints in detail and outline a theoretical blueprint for designing spatial and temporal modules in spectral domains. Building on these insights and to demonstrate how powerful spectral-temporal GNNs are based on our framework, we propose a simple instantiation named Temporal Graph Gegenbauer Convolution (TGGC), which significantly outperforms most existing models with only linear components and shows better model efficiency. Our findings pave the way for devising a broader array of provably expressive GNN-based models for time series.