# Topological Neural Networks: Mitigating the Bottlenecks of Graph Neural Networks via Higher-Order Interactions

arXiv: https://arxiv.org/abs/2402.06908 · HTML: https://mlsanity.com/paper/2402.06908/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 74 of its 257 references that are in the map.
- First posted on arXiv 10 Feb 2024.

## Builds on (most cited first, 30 of 74)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [PyTorch: An Imperative Style, High-Performance Deep Learning Library](https://mlsanity.com/paper/1912.01703/) (2019)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Graph Attention Networks](https://mlsanity.com/paper/1710.10903/) (2017)
- [Batch Normalization: Accelerating Deep Network Training by Reducing Internal Covariate Shift](https://mlsanity.com/paper/1502.03167/) (2015)
- [Inductive Representation Learning on Large Graphs](https://mlsanity.com/paper/1706.02216/) (2017)
- [How Powerful are Graph Neural Networks?](https://mlsanity.com/paper/1810.00826/) (2018)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [Fast Graph Representation Learning with PyTorch Geometric](https://mlsanity.com/paper/1903.02428/) (2019)
- [Open Graph Benchmark: Datasets for Machine Learning on Graphs](https://mlsanity.com/paper/2005.00687/) (2020)
- [Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering](https://mlsanity.com/paper/1606.09375/) (2016)
- [Relational inductive biases, deep learning, and graph networks](https://mlsanity.com/paper/1806.01261/) (2018)
- [Representation Learning on Graphs with Jumping Knowledge Networks](https://mlsanity.com/paper/1806.03536/) (2018)
- [How Attentive are Graph Attention Networks?](https://mlsanity.com/paper/2105.14491/) (2021)
- [Link Prediction Based on Graph Neural Networks](https://mlsanity.com/paper/1802.09691/) (2018)
- [TUDataset: A collection of benchmark datasets for learning with graphs](https://mlsanity.com/paper/2007.08663/) (2020)
- [Recipe for a General, Powerful, Scalable Graph Transformer](https://mlsanity.com/paper/2205.12454/) (2022)
- [Spectrally-normalized margin bounds for neural networks](https://mlsanity.com/paper/1706.08498/) (2017)
- [Benchmarking Graph Neural Networks](https://mlsanity.com/paper/2003.00982/) (2020)
- [A Generalization of Transformer Networks to Graphs](https://mlsanity.com/paper/2012.09699/) (2020)
- [On the Bottleneck of Graph Neural Networks and its Practical Implications](https://mlsanity.com/paper/2006.05205/) (2020)
- [Principal Neighbourhood Aggregation for Graph Nets](https://mlsanity.com/paper/2004.05718/) (2020)
- [Understanding over-squashing and bottlenecks on graphs via curvature](https://mlsanity.com/paper/2111.14522/) (2021)
- [Rethinking Graph Transformers with Spectral Attention](https://mlsanity.com/paper/2106.03893/) (2021)
- [Diffusion Improves Graph Learning](https://mlsanity.com/paper/1911.05485/) (2019)
- [Residual Gated Graph ConvNets](https://mlsanity.com/paper/1711.07553/) (2017)
- [OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs](https://mlsanity.com/paper/2103.09430/) (2021)
- [Long Range Graph Benchmark](https://mlsanity.com/paper/2206.08164/) (2022)
- [Deep Learning without Poor Local Minima](https://mlsanity.com/paper/1605.07110/) (2016)
- [Learning Discrete Structures for Graph Neural Networks](https://mlsanity.com/paper/1903.11960/) (2019)

## Abstract (arXiv)

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is remarkable, the implications associated with long-range and higher-order dependencies pose considerable challenges to such models. This work starts with a theoretical framework to reveal the impact of network's width, depth, and graph topology on the over-squashing phenomena in message-passing neural networks. Then, the work drifts towards, higher-order interactions and multi-relational inductive biases via Topological Neural Networks. Such models propagate messages through higher-dimensional structures, providing shortcuts or additional routes for information flow. With this construction, the underlying computational graph is no longer coupled with the input graph structure, thus mitigating the aforementioned bottlenecks while accounting also for higher-order interactions. Inspired by Graph Attention Networks, two topological attention networks are proposed: Simplicial and Cell Attention Networks. The rationale behind these architecture is to leverage the extended notion of neighbourhoods provided by the arrangement of groups of nodes within a simplicial or cell complex to design anisotropic aggregations able to measure the importance of the information coming from different regions of the domain. By doing so, they capture dependencies that conventional Graph Neural Networks might miss. Finally, a multi-way communication scheme is introduced with Enhanced Cellular Isomorphism Networks, which augment topological message passing schemes to enable a direct interactions among groups of nodes arranged in ring-like structures.