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VCR-Graphormer: A Mini-batch Graph Transformer via Virtual Connections

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

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Proposes VCR-Graphormer, a mini-batch graph transformer that tokenizes each node with PPR-ranked token lists enriched by structure- and content-based virtual super-node connections, achieving scalable node classification.

Problem

Graph transformers need dense global attention, which is quadratic and unaffordable on large graphs; mini-batch training with few samples per batch cannot capture enough global topological and feature information.

Approach

Assign each node a PPR-sampled token list and apply self-attention only on it, then rewire the graph with structure-aware (METIS cluster) and content-aware (label/cluster) virtual super nodes so that PPR token lists capture global, long-range and heterophilous information at O(m + k log k) tokenization cost.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use VCR-Graphormer instead of NAGphormernode classification · PubMedaccuracy: 89.70 ± 0.19 -> 89.77 ± 0.15Helped
use VCR-Graphormer instead of NAGphormernode classification · CoraFullaccuracy: 71.51 ± 0.13 -> 71.67 ± 0.10Helped
use VCR-Graphormer instead of Exphormernode classification · Computeraccuracy: 91.59 ± 0.31 -> 91.75 ± 0.15Helped
use VCR-Graphormer instead of NAGphormernode classification · Photoaccuracy: 95.49 ± 0.11 -> 95.53 ± 0.14Helped
use VCR-Graphormer instead of Exphormernode classification · CSaccuracy: 95.77 ± 0.15 -> 95.37 ± 0.04Hurt
use VCR-Graphormer instead of NAGphormernode classification · Physicsaccuracy: 97.34 ± 0.03 -> 97.34 ± 0.04No clear effect
use VCR-Graphormer instead of NAGphormernode classification · Redditaccuracy: 93.58 ± 0.05 -> 93.69 ± 0.08Helped
use VCR-Graphormer instead of GRAND+node classification · Amineraccuracy: 54.67 ± 0.25 -> 53.59 ± 0.10Hurt
use VCR-Graphormer instead of NAGphormernode classification · Amazon2Maccuracy: 77.43 ± 0.11 -> 76.09 ± 0.16Hurt
use VCR-Graphormer instead of GloGNN++node classification without minibatching · arXiv-yearaccuracy: 54.79 ± 0.25 -> 54.15 ± 0.09Hurt
decrease the number of hops (ablation)VCR-Graphormer · Redditaccuracy: 93.36 -> 93.02Hurt
increase the number of structure-aware super nodes and sample more neighbors (ablation)VCR-Graphormer with reduced hop count · Redditaccuracy: 93.02 -> 93.16Helped

Limitations

Experimental setup

Datasets: PubMed CoraFull Computer Photo CS Physics Reddit Aminer Amazon2M Squirrel Actor Texas

Benchmarks: PubMed CoraFull Computer Photo CS Physics Reddit Aminer Amazon2M Squirrel Actor Texas

Metrics: node classification accuracy

Baselines: GCN GAT APPNP GPR-GNN GraphSAINT PPRGo GRAND+ GT Graphormer SAN GraphGPS NAGphormer

Builds on: NAGphormer personalized PageRank GPR-GNN Jumping Knowledge METIS

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