Time-varying Interaction Graph ODE for Dynamic Graph Representation Learning
About
Graph neural Ordinary Differential Equations (ODE) combine neural ODE with the message passing mechanism of Graph Neural Networks (GNN), providing a continuous-time modeling method for graph representation learning. However, in dynamic graph scenarios, existing graph neural ODEs typically employ a unified message passing mechanism, assuming that inter-node interactions share the same message passing function at any time, which makes it challenging to capture the diversity and time-varying nature of inter-node interaction patterns. To address this, we propose Time-varying Interaction Graph Ordinary Differential Equations (TI-ODE). The core idea of TI-ODE is to decompose the evolution function of a graph ODE into a set of learnable interaction basis functions, where each basis function corresponds to a distinct type of inter-node interaction. These basis functions are dynamically combined through time-dependent learnable weights, enabling inter-node interaction patterns to adaptively evolve over time. Experimental results on six dynamic graph datasets demonstrate that TI-ODE consistently outperforms existing methods and achieves state-of-the-art performance on attribute prediction tasks, and experiments on the \textit{Covid} dataset further verify the interpretability and generalizability of our TI-ODE. Furthermore, we demonstrate both theoretically and empirically that TI-ODE exhibits superior robustness compared to models utilizing a unified message-passing mechanism.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Molecular Dynamics Simulation | 2N5C (test) | MSE0.31 | 24 | |
| Molecular Dynamics Simulation | 5AWL (test) | MSE0.14 | 24 | |
| Physical dynamics simulation | Spring | MSE0.16 | 24 | |
| Physical dynamics simulation | Charged | MSE1.31 | 24 | |
| Spatio-temporal forecasting | Motion | MSE0.16 | 24 | |
| Spatio-temporal forecasting | COVID | MSE2.06 | 24 |