Rethink GraphODE Generalization within Coupled Dynamical System

Guancheng Wan, Zijie Huang, Wanjia Zhao, Xiao Luo, Yizhou Sun, Wei Wang
Proceedings of the 42nd International Conference on Machine Learning, PMLR 267:61913-61928, 2025.

Abstract

Coupled dynamical systems govern essential phenomena across physics, biology, and engineering, where components interact through complex dependencies. While Graph Ordinary Differential Equations (GraphODE) offer a powerful framework to model these systems, their generalization capabilities degrade severely under limited observational training data due to two fundamental flaws: (i) the entanglement of static attributes and dynamic states in the initialization process, and (ii) the reliance on context-specific coupling patterns during training, which hinders performance in unseen scenarios. In this paper, we propose a Generalizable GraphODE with disentanglement and regularization (GREAT) to address these challenges. Through systematic analysis via the Structural Causal Model, we identify backdoor paths that undermine generalization and design two key modules to mitigate their effects. The Dynamic-Static Equilibrium Decoupler (DyStaED) disentangles static and dynamic states via orthogonal subspace projections, ensuring robust initialization. Furthermore, the Causal Mediation for Coupled Dynamics (CMCD) employs variational inference to estimate latent causal factors, reducing spurious correlations and enhancing universal coupling dynamics. Extensive experiments across diverse dynamical systems demonstrate that ours outperforms state-of-the-art methods within both in-distribution and out-of-distribution.

Cite this Paper


BibTeX
@InProceedings{pmlr-v267-wan25a, title = {Rethink {G}raph{ODE} Generalization within Coupled Dynamical System}, author = {Wan, Guancheng and Huang, Zijie and Zhao, Wanjia and Luo, Xiao and Sun, Yizhou and Wang, Wei}, booktitle = {Proceedings of the 42nd International Conference on Machine Learning}, pages = {61913--61928}, year = {2025}, editor = {Singh, Aarti and Fazel, Maryam and Hsu, Daniel and Lacoste-Julien, Simon and Berkenkamp, Felix and Maharaj, Tegan and Wagstaff, Kiri and Zhu, Jerry}, volume = {267}, series = {Proceedings of Machine Learning Research}, month = {13--19 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v267/main/assets/wan25a/wan25a.pdf}, url = {https://proceedings.mlr.press/v267/wan25a.html}, abstract = {Coupled dynamical systems govern essential phenomena across physics, biology, and engineering, where components interact through complex dependencies. While Graph Ordinary Differential Equations (GraphODE) offer a powerful framework to model these systems, their generalization capabilities degrade severely under limited observational training data due to two fundamental flaws: (i) the entanglement of static attributes and dynamic states in the initialization process, and (ii) the reliance on context-specific coupling patterns during training, which hinders performance in unseen scenarios. In this paper, we propose a Generalizable GraphODE with disentanglement and regularization (GREAT) to address these challenges. Through systematic analysis via the Structural Causal Model, we identify backdoor paths that undermine generalization and design two key modules to mitigate their effects. The Dynamic-Static Equilibrium Decoupler (DyStaED) disentangles static and dynamic states via orthogonal subspace projections, ensuring robust initialization. Furthermore, the Causal Mediation for Coupled Dynamics (CMCD) employs variational inference to estimate latent causal factors, reducing spurious correlations and enhancing universal coupling dynamics. Extensive experiments across diverse dynamical systems demonstrate that ours outperforms state-of-the-art methods within both in-distribution and out-of-distribution.} }
Endnote
%0 Conference Paper %T Rethink GraphODE Generalization within Coupled Dynamical System %A Guancheng Wan %A Zijie Huang %A Wanjia Zhao %A Xiao Luo %A Yizhou Sun %A Wei Wang %B Proceedings of the 42nd International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2025 %E Aarti Singh %E Maryam Fazel %E Daniel Hsu %E Simon Lacoste-Julien %E Felix Berkenkamp %E Tegan Maharaj %E Kiri Wagstaff %E Jerry Zhu %F pmlr-v267-wan25a %I PMLR %P 61913--61928 %U https://proceedings.mlr.press/v267/wan25a.html %V 267 %X Coupled dynamical systems govern essential phenomena across physics, biology, and engineering, where components interact through complex dependencies. While Graph Ordinary Differential Equations (GraphODE) offer a powerful framework to model these systems, their generalization capabilities degrade severely under limited observational training data due to two fundamental flaws: (i) the entanglement of static attributes and dynamic states in the initialization process, and (ii) the reliance on context-specific coupling patterns during training, which hinders performance in unseen scenarios. In this paper, we propose a Generalizable GraphODE with disentanglement and regularization (GREAT) to address these challenges. Through systematic analysis via the Structural Causal Model, we identify backdoor paths that undermine generalization and design two key modules to mitigate their effects. The Dynamic-Static Equilibrium Decoupler (DyStaED) disentangles static and dynamic states via orthogonal subspace projections, ensuring robust initialization. Furthermore, the Causal Mediation for Coupled Dynamics (CMCD) employs variational inference to estimate latent causal factors, reducing spurious correlations and enhancing universal coupling dynamics. Extensive experiments across diverse dynamical systems demonstrate that ours outperforms state-of-the-art methods within both in-distribution and out-of-distribution.
APA
Wan, G., Huang, Z., Zhao, W., Luo, X., Sun, Y. & Wang, W.. (2025). Rethink GraphODE Generalization within Coupled Dynamical System. Proceedings of the 42nd International Conference on Machine Learning, in Proceedings of Machine Learning Research 267:61913-61928 Available from https://proceedings.mlr.press/v267/wan25a.html.

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