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Sequential Signal Mixing Aggregation for Message Passing Graph Neural Networks

About

Message Passing Graph Neural Networks (MPGNNs) have emerged as the preferred method for modeling complex interactions across diverse graph entities. While the theory of such models is well understood, their aggregation module has not received sufficient attention. Sum-based aggregators have solid theoretical foundations regarding their separation capabilities. However, practitioners often prefer using more complex aggregations and mixtures of diverse aggregations. In this work, we unveil a possible explanation for this gap. We claim that sum-based aggregators fail to "mix" features belonging to distinct neighbors, preventing them from succeeding at downstream tasks. To this end, we introduce Sequential Signal Mixing Aggregation (SSMA), a novel plug-and-play aggregation for MPGNNs. SSMA treats the neighbor features as 2D discrete signals and sequentially convolves them, inherently enhancing the ability to mix features attributed to distinct neighbors. By performing extensive experiments, we show that when combining SSMA with well-established MPGNN architectures, we achieve substantial performance gains across various benchmarks, achieving new state-of-the-art results in many settings. We published our code at \url{https://almogdavid.github.io/SSMA/}

Mitchell Keren Taraday, Almog David, Chaim Baskin• 2024

Related benchmarks

TaskDatasetResultRank
Graph ClassificationMUTAG (10-fold cross-validation)
Accuracy96.32
206
Graph RegressionZINC (test)
MAE0.096
204
Graph ClassificationPROTEINS (10-fold cross-validation)
Accuracy80.69
197
Node ClassificationOgbn-arxiv
Accuracy66.71
191
Graph ClassificationIMDB-B (10-fold cross-validation)
Accuracy80.6
148
Graph ClassificationENZYMES (10-fold cross-validation)
Accuracy56.67
64
Node ClassificationOGBN-Products
Accuracy72.3
62
Graph RegressionPeptides-struct LRGB
MAE0.26
29
Graph ClassificationPeptides-func LRGB
AP63.7
29
Graph ClassificationPTC MR (10-fold cross val)
Accuracy77.89
21
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