# On the Expressive Power of Sparse Geometric MPNNs

arXiv: https://arxiv.org/abs/2407.02025 · HTML: https://mlsanity.com/paper/2407.02025/

## Key facts

- Cited by 7 papers in the map (data through 14 Oct 2026).
- Builds on 42 of its 65 references that are in the map.
- First posted on arXiv 2 Jul 2024.

## Builds on (most cited first, 30 of 42)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (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)
- [Open Graph Benchmark: Datasets for Machine Learning on Graphs](https://mlsanity.com/paper/2005.00687/) (2020)
- [E(n) Equivariant Graph Neural Networks](https://mlsanity.com/paper/2102.09844/) (2021)
- [Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds](https://mlsanity.com/paper/1802.08219/) (2018)
- [Recipe for a General, Powerful, Scalable Graph Transformer](https://mlsanity.com/paper/2205.12454/) (2022)
- [On the Bottleneck of Graph Neural Networks and its Practical Implications](https://mlsanity.com/paper/2006.05205/) (2020)
- [SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks](https://mlsanity.com/paper/2006.10503/) (2020)
- [Directional Message Passing for Molecular Graphs](https://mlsanity.com/paper/2003.03123/) (2020)
- [MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields](https://mlsanity.com/paper/2206.07697/) (2022)
- [Equivariant message passing for the prediction of tensorial properties and molecular spectra](https://mlsanity.com/paper/2102.03150/) (2021)
- [GemNet: Universal Directional Graph Neural Networks for Molecules](https://mlsanity.com/paper/2106.08903/) (2021)
- [Learning from Protein Structure with Geometric Vector Perceptrons](https://mlsanity.com/paper/2009.01411/) (2020)
- [Vector Neurons: A General Framework for SO(3)-Equivariant Networks](https://mlsanity.com/paper/2104.12229/) (2021)
- [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)
- [GEOM: Energy-annotated molecular conformations for property prediction and molecular generation](https://mlsanity.com/paper/2006.05531/) (2020)
- [Spherical Message Passing for 3D Graph Networks](https://mlsanity.com/paper/2102.05013/) (2021)
- [Frame Averaging for Invariant and Equivariant Network Design](https://mlsanity.com/paper/2110.03336/) (2021)
- [Scalars are universal: Equivariant machine learning, structured like classical physics](https://mlsanity.com/paper/2106.06610/) (2021)
- [On the Expressive Power of Geometric Graph Neural Networks](https://mlsanity.com/paper/2301.09308/) (2023)
- [On the Universality of Rotation Equivariant Point Cloud Networks](https://mlsanity.com/paper/2010.02449/) (2020)
- [SE(3) Equivariant Graph Neural Networks with Complete Local Frames](https://mlsanity.com/paper/2110.14811/) (2021)
- [ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs](https://mlsanity.com/paper/2206.08515/) (2022)
- [Message passing all the way up](https://mlsanity.com/paper/2202.11097/) (2022)
- [A new perspective on building efficient and expressive 3D equivariant graph neural networks](https://mlsanity.com/paper/2304.04757/) (2023)
- [Low Dimensional Invariant Embeddings for Universal Geometric Learning](https://mlsanity.com/paper/2205.02956/) (2022)
- [Neural Injective Functions for Multisets, Measures and Graphs via a Finite Witness Theorem](https://mlsanity.com/paper/2306.06529/) (2023)
- [A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications](https://mlsanity.com/paper/2403.00485/) (2024)

## Built on by (most cited first, 7 of 7)

- [Spectral Graph Neural Networks are Incomplete on Graphs with a Simple Spectrum](https://mlsanity.com/paper/2506.05530/) (2025)
- [Universally Invariant Learning in Equivariant GNNs](https://mlsanity.com/paper/2510.13169/) (2025)
- [On the (Non) Injectivity of Piecewise Linear Janossy Pooling](https://mlsanity.com/paper/2505.20150/) (2025)
- [Quantitative Approximation Rates for Group Equivariant Learning](https://mlsanity.com/paper/2602.20370/) (2026)
- [GoMS: Graph of Molecule Substructure Network for Molecule Property Prediction](https://mlsanity.com/paper/2512.12489/) (2025)
- [SymDrift: One-Shot Generative Modeling under Symmetries](https://mlsanity.com/paper/2605.06140/) (2026)
- [Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials](https://mlsanity.com/paper/2609.00528/) (2026)

## Abstract (arXiv)

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.