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Leveraging Contrastive Learning for Enhanced Node Representations in Tokenized Graph Transformers

NeurIPS 2024 · Graph learning › Graph self-supervised learning · approach: Semi-supervised node representation learning · 3 citations (OpenAlex)

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Proposes GCFormer, a tokenized graph Transformer that builds both positive (top-k similar) and negative (sampled dissimilar) node token sequences in attribute and topology feature spaces, fuses them with signed attention, and adds a contrastive loss for node classification.

Problem

Tokenized graph Transformers build node token sequences only from a small set of high-similarity nodes, discarding information from dissimilar nodes that could help learn distinguishable node representations for node classification.

Approach

A hybrid token generator produces positive tokens (top-k similar nodes) and negative tokens (uniformly sampled from the rest) in both attribute and topology feature spaces; a Transformer backbone processes each sequence separately with a virtual token, fuses target and virtual outputs via signed subtraction, and a contrastive loss pulls the target toward positive tokens and pushes it from negative

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use GCFormer instead of the strongest reported baselineNode classification · Photoaccuracy: 95.47 -> 95.65Helped
Use GCFormer instead of the strongest reported baselineNode classification · ACMaccuracy: 93.92 -> 94.32Helped
Use GCFormer instead of the strongest reported baselineNode classification · Computeraccuracy: 91.31 -> 92.09Helped
Use GCFormer instead of the strongest reported baselineNode classification · Corafullaccuracy: 69.34 -> 69.53Helped
Use GCFormer instead of the strongest reported baselineNode classification · BlogCatalogaccuracy: 94.77 -> 96.03Helped
Use GCFormer instead of the strongest reported baselineNode classification · UAI2010accuracy: 76.94 -> 77.57Helped
Use GCFormer instead of the strongest reported baselineNode classification · Flickraccuracy: 86.85 -> 87.90Helped
Use GCFormer instead of the strongest reported baselineNode classification · Romanempireaccuracy: 74.94 -> 75.38Helped
Add negative token sequences while omitting contrastive loss (ablation)GCFormer-N · Most datasets; three citation networks differaccuracyMixed
Add contrastive learning loss (ablation)GCFormer · All datasetsaccuracyHelped
Pass negative tokens through Transformer layers before contrastive learning (ablation)GCFormer · All datasetsaccuracyHelped
Use negative-token representations in signed aggregation as well as contrastive learning (ablation)GCFormer · All datasetsaccuracyHelped

Surprising findings

Limitations

Experimental setup

Datasets: Photo ACM Computer Corafull BlogCatalog UAI2010 Flickr Romanempire

Benchmarks: Photo ACM Computer Corafull BlogCatalog UAI2010 Flickr Romanempire

Metrics: accuracy (mean ± stdev)

Baselines: APPNP SGC GPRGNN FAGCN ACM-GCN SGFormer ANS-GT Specformer VCR-Graphormer GraphGPS NAGphormer ClusterSCL

Builds on: NAGphormer signed attention graph contrastive learning

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