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Even Sparser Graph Transformers

NeurIPS 2024 · Graph learning › GNN architectures · approach: GNN generalization theory · 3 citations (OpenAlex)

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Proposes Spexphormer, a two-stage method that trains a narrow attention-score estimator on the full expander-augmented graph, then samples a sparse per-layer attention graph from its scores to train a wider final Transformer with much lower memory.

Problem

Graph Transformers need quadratic memory in nodes and sparse variants like Exphormer still need many edges (high-degree expanders, dense input graphs), limiting scalability to large graphs.

Approach

Attention scores are consistent across network widths, so a narrow network (width 4-8) trained on the full augmented graph can identify important neighbors; a wide network is then trained on a layer-wise sampled sparse graph (fixed degree per node, reservoir sampling by attention scores), enabling regular batched matrix operations.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use estimated-attention sampling instead of uniform sampling (ablation)Spexphormer · Computer, Photo, Minesweeper, Tolokersaccuracy / ROC-AUC (×100): 86.65 ± 0.46 vs 91.09 ± 0.08; 94.21 ± 0.22 vs 95.33 ± 0.49; 84.15 ± 0.22 vs 90.71 ± 0.17; 82.56 ± 0.17 vs 83.34 ± 0.31Helped
select highest-attention edges instead of sampling (ablation)Spexphormer · Computer, Photo, Minesweeper, Tolokersaccuracy / ROC-AUC (×100): 89.31 ± 0.31 vs 91.09 ± 0.08; 95.07 ± 0.20 vs 95.33 ± 0.49; 87.92 ± 0.26 vs 90.71 ± 0.17; 80.85 ± 0.23 vs 83.34 ± 0.31Mixed
anneal estimator temperature instead of keeping it at 1 (ablation)Spexphormer · Computer and Photoaccuracy: 89.05 ± 0.35 vs 91.09 ± 0.08; 95.30 ± 0.16 vs 95.33 ± 0.49Helped
add layer normalization to the estimator (ablation)Spexphormer · Computer, Photo, Minesweeper, Tolokersaccuracy / ROC-AUC (×100): 89.70 ± 0.25 vs 91.09 ± 0.08; 94.91 ± 0.18 vs 95.33 ± 0.49; 89.65 ± 0.10 vs 90.71 ± 0.17; 84.06 ± 0.10 vs 83.34 ± 0.13Mixed
use Spexphormer rather than Exphormer+GCNSpexphormer · Computer, CS, Physics, ogbn-arxivaccuracy: 91.59 ± 0.31 -> 91.09 ± 0.08; 95.77 ± 0.15 -> 95.00 ± 0.15; 97.16 ± 0.13 -> 96.70 ± 0.05; 72.44 ± 0.28 -> 70.82 ± 0.24Hurt
use Spexphormer rather than the strongest listed baselineSpexphormer · Photo, WikiCS, Actor, Minesweeper, Tolokers, Roman-Empire, Amazon-Ratings, Questionsaccuracy / ROC-AUC (×100): 95.36 ± 0.17 -> 95.33 ± 0.49; 78.66 ± 0.49 -> 78.2 ± 0.14; 39.01 ± 0.69 -> 38.59 ± 0.81; 92.26 ± 0.56 -> 90.71 ± 0.17; 8Mixed
use Spexphormer rather than the strongest listed baselineSpexphormer · ogbn-proteins, Amazon2M, PokecROC-AUC (×100) / accuracy: 79.53 ± 0.38 -> 80.65 ± 0.07; 89.09 ± 0.10 -> 90.40 ± 0.03; 73.76 ± 0.24 -> 74.73 ±0.04Helped

Surprising findings

Limitations

Experimental setup

Datasets: Amazon Photo Amazon Computer Coauthor CS Coauthor Physics WikiCS ogbn-arxiv Actor Minesweeper Tolokers Roman-Empire Amazon-Ratings Questions

Benchmarks: Amazon Photo Amazon Computer Coauthor CS Coauthor Physics WikiCS ogbn-arxiv Actor Minesweeper Tolokers Roman-Empire Amazon-Ratings Questions

Metrics: accuracy ROC-AUC GPU memory (MB) energy distance

Baselines: GCN GraphSAGE GAT GraphSAINT NodeFormer SGFormer GraphGPS NAGphormer GOAT GloGNN Exphormer SIGN

Builds on: Exphormer GraphSAGE GraphGPS Johnson-Lindenstrauss lemma

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