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Transfer learning on graphs drawn from varied distributions (domains) is in great demand across many applications. Emerging methods attempt to learn domain-invariant representations using graph neural networks (GNNs), yet the empirical performances vary and the theoretical foundation is limited. This paper aims at designing theory-grounded algorithms for graph domain adaptation (GDA). (i) As the first attempt, we derive a model-based GDA bound closely related to two GNN spectral properties: spectral smoothness (SS) and maximum frequency response (MFR). This is achieved by cross-pollinating between the OT-based (optimal transport) DA and graph filter theories. (ii) Inspired by the theoretical results, we propose algorithms regularizing spectral properties of SS and MFR to improve GNN transferability. We further extend the GDA theory into the more challenging scenario of conditional shift, where spectral regularization still applies. (iii) More importantly, our analyses of the theory reveal which regularization would improve performance of what transfer learning scenario, (iv) with numerical agreement with extensive real-world experiments: SS and MFR regularizations bring more benefits to the scenarios of node transfer and link transfer, respectively. In a nutshell, our study paves the way toward explicitly constructing and training GNNs that can capture more transferable representations across graph domains. Codes are released at https://github.com/Shen-Lab/GDA-SpecReg.
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Structural Re-weighting Improves Graph Domain Adaptation
In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.
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- Award ID(s):
- 2117997
- PAR ID:
- 10477693
- Publisher / Repository:
- https://proceedings.mlr.press/v202/liu23u.html
- Date Published:
- Journal Name:
- International Conference on Machine Learning Big Data and Business Intelligence
- ISSN:
- 2994-2977
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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