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5 months ago

PANDA: Expanded Width-Aware Message Passing Beyond Rewiring

Jeongwhan Choi; Sumin Park; Hyowon Wi; Sung-Bae Cho; Noseong Park

PANDA: Expanded Width-Aware Message Passing Beyond Rewiring

Abstract

Recent research in the field of graph neural network (GNN) has identified a critical issue known as "over-squashing," resulting from the bottleneck phenomenon in graph structures, which impedes the propagation of long-range information. Prior works have proposed a variety of graph rewiring concepts that aim at optimizing the spatial or spectral properties of graphs to promote the signal propagation. However, such approaches inevitably deteriorate the original graph topology, which may lead to a distortion of information flow. To address this, we introduce an expanded width-aware (PANDA) message passing, a new message passing paradigm where nodes with high centrality, a potential source of over-squashing, are selectively expanded in width to encapsulate the growing influx of signals from distant nodes. Experimental results show that our method outperforms existing rewiring methods, suggesting that selectively expanding the hidden state of nodes can be a compelling alternative to graph rewiring for addressing the over-squashing.

Code Repositories

jeongwhanchoi/panda
Official
pytorch
Mentioned in GitHub

Benchmarks

BenchmarkMethodologyMetrics
graph-classification-on-collabR-GIN + PANDA
Accuracy: 77.8%
graph-classification-on-collabR-GCN + PANDA
Accuracy: 71.4%
graph-classification-on-collabGCN + PANDA
Accuracy: 68.4%
graph-classification-on-collabGIN + PANDA
Accuracy: 75.11%
graph-classification-on-enzymesGIN + PANDA
Accuracy: 46.2
graph-classification-on-enzymesR-GCN + PANDA
Accuracy: 43.9
graph-classification-on-enzymesR-GIN + PANDA
Accuracy: 53.1
graph-classification-on-enzymesGCN + PANDA
Accuracy: 31.55
graph-classification-on-imdb-binaryR-GIN + PANDA
Accuracy: 72.09
graph-classification-on-imdb-binaryGIN + PANDA
Accuracy: 72.56
graph-classification-on-imdb-binaryGCN + PANDA
Accuracy: 63.76
graph-classification-on-imdb-binaryR-GCN + PANDA
Accuracy: 66.79
graph-classification-on-mutagR-GIN + PANDA
Accuracy: 88.2%
graph-classification-on-mutagGCN + PANDA
Accuracy: 85.75%
graph-classification-on-mutagR-GCN + PANDA
Accuracy: 90.05%
graph-classification-on-mutagGIN + PANDA
Accuracy: 88.75%
graph-classification-on-peptides-funcGCN + PANDA
AP: 0.6028±0.0031
graph-classification-on-proteinsR-GCN + PANDA
Accuracy: 76
graph-classification-on-proteinsGCN + PANDA
Accuracy: 76
graph-classification-on-proteinsR-GIN + PANDA
Accuracy: 76.17
graph-classification-on-proteinsGIN + PANDA
Accuracy: 75.759
graph-classification-on-reddit-binaryGIN + PANDA
Accuracy: 91.055
graph-classification-on-reddit-binaryR-GCN + PANDA
Accuracy: 80.2
graph-classification-on-reddit-binaryGCN + PANDA
Accuracy: 80.69
graph-classification-on-reddit-binaryR-GIN + PANDA
Accuracy: 91.36
graph-regression-on-peptides-structGCN + PANDA
MAE: 0.3272±0.0001

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