PANDA: Expanded Width-Aware Message Passing Beyond Rewiring

6 Jun 2024  ·  Jeongwhan Choi, Sumin Park, Hyowon Wi, Sung-Bae Cho, Noseong Park ·

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.

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Results from the Paper


Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Graph Classification COLLAB GIN + PANDA Accuracy 75.11% # 24
Graph Classification COLLAB R-GIN + PANDA Accuracy 77.8% # 20
Graph Classification COLLAB GCN + PANDA Accuracy 68.4% # 33
Graph Classification COLLAB R-GCN + PANDA Accuracy 71.4% # 30
Graph Classification ENZYMES GIN + PANDA Accuracy 46.2 # 36
Graph Classification ENZYMES R-GIN + PANDA Accuracy 53.1 # 31
Graph Classification ENZYMES R-GCN + PANDA Accuracy 43.9 # 37
Graph Classification ENZYMES GCN + PANDA Accuracy 31.55 # 41
Graph Classification IMDB-BINARY GCN + PANDA Accuracy 63.76 # 7
Graph Classification IMDB-BINARY R-GCN + PANDA Accuracy 66.79 # 6
Graph Classification IMDB-BINARY R-GIN + PANDA Accuracy 72.09 # 2
Graph Classification IMDB-BINARY GIN + PANDA Accuracy 72.56 # 1
Graph Classification MUTAG R-GCN + PANDA Accuracy 90.05% # 23
Graph Classification MUTAG GCN + PANDA Accuracy 85.75% # 60
Graph Classification MUTAG R-GIN + PANDA Accuracy 88.2% # 42
Graph Classification MUTAG GIN + PANDA Accuracy 88.75% # 34
Graph Classification Peptides-func GCN + PANDA AP 0.6028±0.0031 # 31
Graph Regression Peptides-struct GCN + PANDA MAE 0.3272±0.0001 # 27
Graph Classification PROTEINS GCN + PANDA Accuracy 76 # 50
Graph Classification PROTEINS R-GCN + PANDA Accuracy 76 # 50
Graph Classification PROTEINS R-GIN + PANDA Accuracy 76.17 # 49
Graph Classification PROTEINS GIN + PANDA Accuracy 75.759 # 53
Graph Classification REDDIT-BINARY GCN + PANDA Accuracy 80.69 # 3
Graph Classification REDDIT-BINARY R-GCN + PANDA Accuracy 80.2 # 4
Graph Classification REDDIT-BINARY GIN + PANDA Accuracy 91.055 # 2
Graph Classification REDDIT-BINARY R-GIN + PANDA Accuracy 91.36 # 1

Methods