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GFT: Graph Foundation Model with Transferable Tree Vocabulary

NeurIPS 2024 · Graph learning › Graph self-supervised learning · approach: Graph domain adaptation · 8 citations (OpenAlex)

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Proposes GFT, a graph foundation model that treats computation trees as transferable tokens in a VQ-learned tree vocabulary, pre-trained with tree reconstruction and fine-tuned via computation-tree classification.

Problem

Graph foundation models need a transferable vocabulary across tasks and domains; subgraph-based vocabularies are costly to extract and message-passing GNNs fail to capture some substructures, and graphon theory's assumptions rarely hold on real cross-domain graphs.

Approach

Use computation trees (unfolded message-passing subtrees) as the transferable vocabulary tokens: learn a discrete tree vocabulary by vector quantization during pre-training with feature, semantic, and topology tree-reconstruction losses, then unify node, link, and graph tasks as computation-tree classification with prototype and linear classifiers while keeping the vocabulary fixed.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Replace computation trees with subgraphs (ablation)GFT · Node classificationaccuracy: 75.51 -> 74.23Hurt
Replace computation trees with subgraphs (ablation)GFT · Link classificationaccuracy: 88.99 -> 86.49Hurt
Replace computation trees with subgraphs (ablation)GFT · Graph classificationaccuracy: 72.21 -> 67.89Hurt
Replace computation trees with subgraphs (ablation)GFT · Averageaccuracy: 78.06 -> 76.13Hurt
Combine semantic, feature, and topology reconstruction (ablation)GFT pre-training · Node-, link-, and graph-level tasksperformanceHelped
Add semantic reconstruction (ablation)GFT pre-training · Node-level and graph-level tasksperformanceHelped
Add feature reconstruction (ablation)GFT pre-training · Link-level tasksperformanceHelped
Combine prototype and linear classifiers (ablation)GFT fine-tuning · Graph-learning tasksperformanceHelped
Remove strategies that enhance tree-vocabulary quality (ablation)GFT · All settingsperformanceHurt
Use a tree vocabulary (ablation)GFT · Link- and graph-level tasksperformanceHelped
Increase the number of vocabulary tokens (ablation)GFT · Graph-learning tasksperformanceNo clear effect
Pre-train on datasets excluding the target dataset instead of only on the target datasetGFT · Cross-domain and cross-task transferperformanceHelped

Surprising findings

Limitations

Experimental setup

Datasets: Cora PubMed Arxiv WikiCS WN18RR FB15K237 HIV PCBA ChEMBL

Benchmarks: Cora PubMed Wiki-CS Arxiv WN18RR FB15K237 HIV PCBA

Metrics: accuracy ROC-AUC hits@1

Baselines: GCN GAT GIN DGI BGRL GraphMAE GIANT Prodigy OFA

Builds on: VQ-VAE VQGraph OFA Prodigy GraphMAE

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