# Graph-level representations using ensemble-based readout functions

arXiv: https://arxiv.org/abs/2303.02023 · HTML: https://mlsanity.com/paper/2303.02023/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 22 of its 35 references that are in the map.
- First posted on arXiv 3 Mar 2023.

## Builds on (most cited first, 22 of 22)

- [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)
- [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)
- [Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering](https://mlsanity.com/paper/1606.09375/) (2016)
- [On the Properties of Neural Machine Translation: Encoder-Decoder Approaches](https://mlsanity.com/paper/1409.1259/) (2014)
- [Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges](https://mlsanity.com/paper/2104.13478/) (2021)
- [Spectral Networks and Locally Connected Networks on Graphs](https://mlsanity.com/paper/1312.6203/) (2013)
- [Hierarchical Graph Representation Learning with Differentiable Pooling](https://mlsanity.com/paper/1806.08804/) (2018)
- [Benchmarking Graph Neural Networks](https://mlsanity.com/paper/2003.00982/) (2020)
- [Principal Neighbourhood Aggregation for Graph Nets](https://mlsanity.com/paper/2004.05718/) (2020)
- [Order Matters: Sequence to sequence for sets](https://mlsanity.com/paper/1511.06391/) (2015)
- [On the Limitations of Representing Functions on Sets](https://mlsanity.com/paper/1901.09006/) (2019)
- [Rethinking pooling in graph neural networks](https://mlsanity.com/paper/2010.11418/) (2020)
- [Memory-Based Graph Networks](https://mlsanity.com/paper/2002.09518/) (2020)
- [Hybrid Approach of Relation Network and Localized Graph Convolutional Filtering for Breast Cancer Subtype Classification](https://mlsanity.com/paper/1711.05859/) (2017)
- [Graph Neural Networks with Adaptive Readouts](https://mlsanity.com/paper/2211.04952/) (2022)
- [A Two-Step Graph Convolutional Decoder for Molecule Generation](https://mlsanity.com/paper/1906.03412/) (2019)

## Abstract (arXiv)

Graph machine learning models have been successfully deployed in a variety of application areas. One of the most prominent types of models - Graph Neural Networks (GNNs) - provides an elegant way of extracting expressive node-level representation vectors, which can be used to solve node-related problems, such as classifying users in a social network. However, many tasks require representations at the level of the whole graph, e.g., molecular applications. In order to convert node-level representations into a graph-level vector, a so-called readout function must be applied. In this work, we study existing readout methods, including simple non-trainable ones, as well as complex, parametrized models. We introduce a concept of ensemble-based readout functions that combine either representations or predictions. Our experiments show that such ensembles allow for better performance than simple single readouts or similar performance as the complex, parametrized ones, but at a fraction of the model complexity.