PDE-GCN: Novel Architectures for Graph Neural Networks Motivated by Partial Differential Equations
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Abstract (arXiv)
Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional neural networks, deep graph networks do not necessarily yield better performance than shallow graph networks. This behavior usually stems from the over-smoothing phenomenon. In this work, we propose a family of architectures to control this behavior by design. Our networks are motivated by numerical methods for solving Partial Differential Equations (PDEs) on manifolds, and as such, their behavior can be explained by similar analysis. Moreover, as we demonstrate using an extensive set of experiments, our PDE-motivated networks can generalize and be effective for various types of problems from different fields. Our architectures obtain better or on par with the current state-of-the-art results for problems that are typically approached using different architectures.
Key facts. Cited by 106 papers in the map (data through 7 Oct 2026). Builds on 44 of its 65 references that are in the map. First posted on arXiv 4 Aug 2021.
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44 of 65 references.
References · 44
- 2015Deep Residual Learning for Image Recognitioncited by 51,809
- 2014Adam: A Method for Stochastic Optimizationcited by 36,960
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- 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
- 2017Graph Attention Networkscited by 8,854
- 2017Inductive Representation Learning on Large Graphscited by 6,284
- 2018Neural Ordinary Differential Equationscited by 3,733
- 2017Neural Message Passing for Quantum Chemistrycited by 3,460
- 2018Dynamic Graph CNN for Learning on Point Cloudscited by 2,220
- 2016Convolutional Neural Networks on Graphs with Fast Localized Spectral Filteringcited by 2,085
- 2018Graph Convolutional Neural Networks for Web-Scale Recommender Systemscited by 1,133
- 2013Spectral Networks and Locally Connected Networks on Graphscited by 1,097
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