NeurIPS 2023

Graph Convolutions Enrich the Self-Attention in Transformers!

Jeongwhan Choi, Hyowon Wi, Jayoung Kim, Yehjin Shin, Kookjin Lee, Nathaniel Trask, Noseong Park

Main figure for Graph Convolutions Enrich the Self-Attention in Transformers!

Abstract

Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep Transformer models is the oversmoothing problem, where representations across layers converge to indistinguishable values, leading to significant performance degradation. We interpret the original self-attention as a simple graph filter and redesign it from a graph signal processing (GSP) perspective. We propose a graph-filter-based self-attention (GFSA) to learn a general yet effective one, whose complexity, however, is slightly larger than that of the original self-attention mechanism. We demonstrate that GFSA improves the performance of Transformers in various fields, including computer vision, natural language processing, graph-level tasks, speech recognition, and code classification.

Benchmark Results

Tested on 2 datasets Non-standard metric on 2 datasets

Tables show presented results in global context (best 3 papers + GCN + MLP).

OGB

PCQM4Mv2

Global leaderboard →
Non-default metric. This paper reports MAE (↓), Validate; the dataset default is MAE. Values below use MAE (↓), Validate only.

Sorted by MAE (↓), Validate. Highlighted rows are from other papers.

#ModelMAE (↓), Validate ↓Paper
1
Graphormer + GFSA
0.0860
This paper
2
Graphormer
0.0862
This paper

MoleculeNet

Tox21

Global leaderboard →
Non-default metric. This paper reports ROCAUC; the dataset default is ROC-AUC. Values below use ROCAUC only.

Sorted by ROCAUC. Highlighted rows are from other papers.

#ModelROCAUC ↑Paper
1
Graph-ViT + GFSA
0.7895 ±0.0069
This paper
2
Graph-ViT
0.7851 ±0.0077
This paper
SOTA performance (not significantly different from the best) Baseline / comparison (this paper)