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LLMs as Zero-shot Graph Learners: Alignment of GNN Representations with LLM Token Embeddings

NeurIPS 2024 · Graph learning › GNN architectures · approach: Graph structure learning · 10 citations (OpenAlex)

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Proposes TEA-GLM, which pretrains a GraphSAGE encoder with instance- and feature-wise contrastive losses aligned to PCA components of Vicuna token embeddings, then trains a linear projector to map node representations into graph tokens for a frozen Vicuna-7B, enabling zero-shot cross-dataset and cross-task graph learning.

Problem

Zero-shot graph learning across datasets (differing label sets) and tasks (node classification vs. link prediction) without task-specific fine-tuning, where GNN representations transfer poorly to LLM predictors.

Approach

Align GNN node representations with the principal components of an LLM's token embedding space via a feature-wise contrastive loss during self-supervised pretraining, then map central-node representations to a fixed number of graph tokens with a linear projector and use a unified instruction that lists candidate answers, keeping the LLM frozen.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use TEA-GLM instead of the strongest listed baselineZero-shot node classification · Pubmed, Cora, Children, History, Photo, and SportsaccuracyHelped
add graph token embeddings to provide graph information to the LLM (ablation)TEA-GLM · Cross-dataset and cross-task evaluationsperformanceHelped
add feature-wise contrastive learning during GNN pretraining (ablation)TEA-GLM · Unseen datasetsperformanceHelped
add feature-wise contrastive learning during GNN pretraining (ablation)TEA-GLM · Seen datasets (Arxiv and Computer), training taskperformanceHurt
add feature-wise contrastive learning during GNN pretraining (ablation)TEA-GLM · Unseen link prediction tasksperformanceHelped
replace sum pooling with mean pooling (ablation)TEA-GLM · Arxiv link predictionAUC: 0.657 -> 0.659Helped
replace sum pooling with mean pooling (ablation)TEA-GLM · Pubmed link predictionAUC: 0.689 -> 0.690Helped
replace sum pooling with mean pooling (ablation)TEA-GLM · Cora link predictionAUC: 0.586 -> 0.588Helped
increase graph token embedding count (ablation)TEA-GLM · Training datasets, node classificationMacro F1Helped
increase graph token embedding count (ablation)TEA-GLM · Unseen datasetsMacro F1No clear effect
omit contrastive learning with principal components (ablation)TEA-GLM · Supervised training datasetsaccuracyHelped
use too few principal components (ablation)TEA-GLM · Node classificationperformanceHurt

Surprising findings

Limitations

Experimental setup

Datasets: Arxiv Computer Pubmed Cora Children History Photo Sports

Benchmarks: Arxiv Pubmed Cora Children History Photo Sports Computer

Metrics: accuracy macro F1 AUC legality rate

Baselines: MLP GCN GraphSAGE GAT DGI GKD GLNN NodeFormer DIFFormer OFA Vicuna-7B-v1.5 Vicuna-7B-SPT

Builds on: GraphSAGE GraphGPT LLaGA GraphCL Deep Graph Infomax

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