# An Exploration of Conditioning Methods in Graph Neural Networks

arXiv: https://arxiv.org/abs/2305.01933 · HTML: https://mlsanity.com/paper/2305.01933/

## Key facts

- Cited by 2 papers in the map (data through 14 Oct 2026).
- Builds on 28 of its 33 references that are in the map.
- First posted on arXiv 3 May 2023.

## Builds on (most cited first, 28 of 28)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Deep Residual Learning for Image Recognition](https://mlsanity.com/paper/1512.03385/) (2015)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Graph Attention Networks](https://mlsanity.com/paper/1710.10903/) (2017)
- [Inductive Representation Learning on Large Graphs](https://mlsanity.com/paper/1706.02216/) (2017)
- [A ConvNet for the 2020s](https://mlsanity.com/paper/2201.03545/) (2022)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [FiLM: Visual Reasoning with a General Conditioning Layer](https://mlsanity.com/paper/1709.07871/) (2017)
- [Xception: Deep Learning with Depthwise Separable Convolutions](https://mlsanity.com/paper/1610.02357/) (2016)
- [E(n) Equivariant Graph Neural Networks](https://mlsanity.com/paper/2102.09844/) (2021)
- [How Attentive are Graph Attention Networks?](https://mlsanity.com/paper/2105.14491/) (2021)
- [Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds](https://mlsanity.com/paper/1802.08219/) (2018)
- [E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials](https://mlsanity.com/paper/2101.03164/) (2021)
- [SchNet: A continuous-filter convolutional neural network for modeling quantum interactions](https://mlsanity.com/paper/1706.08566/) (2017)
- [Directional Message Passing for Molecular Graphs](https://mlsanity.com/paper/2003.03123/) (2020)
- [Neural Fields in Visual Computing and Beyond](https://mlsanity.com/paper/2111.11426/) (2021)
- [General E(2)-Equivariant Steerable CNNs](https://mlsanity.com/paper/1911.08251/) (2019)
- [Equivariant message passing for the prediction of tensorial properties and molecular spectra](https://mlsanity.com/paper/2102.03150/) (2021)
- [Harmonic Networks: Deep Translation and Rotation Equivariance](https://mlsanity.com/paper/1612.04642/) (2016)
- [Cormorant: Covariant Molecular Neural Networks](https://mlsanity.com/paper/1906.04015/) (2019)
- [Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules](https://mlsanity.com/paper/2011.14115/) (2020)
- [Geometric and Physical Quantities Improve E(3) Equivariant Message Passing](https://mlsanity.com/paper/2110.02905/) (2021)
- [From data to functa: Your data point is a function and you can treat it like one](https://mlsanity.com/paper/2201.12204/) (2022)
- [SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels](https://mlsanity.com/paper/1711.08920/) (2017)
- [Scale-Equivariant Steerable Networks](https://mlsanity.com/paper/1910.11093/) (2019)
- [B-Spline CNNs on Lie Groups](https://mlsanity.com/paper/1909.12057/) (2019)
- [Rigid-Motion Scattering for Texture Classification](https://mlsanity.com/paper/1403.1687/) (2014)
- [Exploiting Redundancy: Separable Group Convolutional Networks on Lie Groups](https://mlsanity.com/paper/2110.13059/) (2021)

## Built on by (most cited first, 2 of 2)

- [Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space](https://mlsanity.com/paper/2310.02970/) (2023)
- [Grounding Continuous Representations in Geometry: Equivariant Neural Fields](https://mlsanity.com/paper/2406.05753/) (2024)

## Abstract (arXiv)

The flexibility and effectiveness of message passing based graph neural networks (GNNs) induced considerable advances in deep learning on graph-structured data. In such approaches, GNNs recursively update node representations based on their neighbors and they gain expressivity through the use of node and edge attribute vectors. E.g., in computational tasks such as physics and chemistry usage of edge attributes such as relative position or distance proved to be essential. In this work, we address not what kind of attributes to use, but how to condition on this information to improve model performance. We consider three types of conditioning; weak, strong, and pure, which respectively relate to concatenation-based conditioning, gating, and transformations that are causally dependent on the attributes. This categorization provides a unifying viewpoint on different classes of GNNs, from separable convolutions to various forms of message passing networks. We provide an empirical study on the effect of conditioning methods in several tasks in computational chemistry.