# Universally Invariant Learning in Equivariant GNNs

arXiv: https://arxiv.org/abs/2510.13169 · HTML: https://mlsanity.com/paper/2510.13169/

## Key facts

- Cited by 3 papers in the map (data through 14 Oct 2026).
- Builds on 61 of its 108 references that are in the map.
- First posted on arXiv 15 Oct 2025.

## Builds on (most cited first, 30 of 61)

- [Deep Sets](https://mlsanity.com/paper/1703.06114/) (2017)
- [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)
- [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)
- [Spherical CNNs](https://mlsanity.com/paper/1801.10130/) (2018)
- [Equivariant message passing for the prediction of tensorial properties and molecular spectra](https://mlsanity.com/paper/2102.03150/) (2021)
- [3D Steerable CNNs: Learning Rotationally Equivariant Features in Volumetric Data](https://mlsanity.com/paper/1807.02547/) (2018)
- [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)
- [Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs](https://mlsanity.com/paper/2206.11990/) (2022)
- [Geometric and Physical Quantities Improve E(3) Equivariant Message Passing](https://mlsanity.com/paper/2110.02905/) (2021)
- [EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations](https://mlsanity.com/paper/2306.12059/) (2023)
- [e3nn: Euclidean Neural Networks](https://mlsanity.com/paper/2207.09453/) (2022)
- [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)
- [Crystal Structure Prediction by Joint Equivariant Diffusion](https://mlsanity.com/paper/2309.04475/) (2023)
- [Scalars are universal: Equivariant machine learning, structured like classical physics](https://mlsanity.com/paper/2106.06610/) (2021)
- [Equivariance with Learned Canonicalization Functions](https://mlsanity.com/paper/2211.06489/) (2022)
- [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)
- [Conditional Antibody Design as 3D Equivariant Graph Translation](https://mlsanity.com/paper/2208.06073/) (2022)
- [FAENet: Frame Averaging Equivariant GNN for Materials Modeling](https://mlsanity.com/paper/2305.05577/) (2023)
- [ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs](https://mlsanity.com/paper/2206.08515/) (2022)
- [Equivariant Graph Mechanics Networks with Constraints](https://mlsanity.com/paper/2203.06442/) (2022)
- [Molecule Generation by Principal Subgraph Mining and Assembling](https://mlsanity.com/paper/2106.15098/) (2021)
- [End-to-End Full-Atom Antibody Design](https://mlsanity.com/paper/2302.00203/) (2023)
- [Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs](https://mlsanity.com/paper/2207.08824/) (2022)
- [A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications](https://mlsanity.com/paper/2403.00485/) (2024)
- [SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases](https://mlsanity.com/paper/2308.13212/) (2023)

## Built on by (most cited first, 3 of 3)

- [Identifiable Equivariant Networks are Layerwise Equivariant](https://mlsanity.com/paper/2601.21645/) (2026)
- [Geometric Mixture Models for Electrolyte Conductivity Prediction](https://mlsanity.com/paper/2510.15403/) (2025)
- [Reducing Symmetry Increase in Equivariant Neural Networks](https://mlsanity.com/paper/2608.12010/) (2026)

## Abstract (arXiv)

Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must effectively capture the intricate multi-body interactions among different nodes. Prior methods attain this via deeper architectures, augmented body orders, or increased degrees of steerable features, often at high computational cost and without polynomial-time solutions. In this work, we present a theoretically grounded framework for constructing complete equivariant GNNs that is both efficient and practical. We prove that a complete equivariant GNN can be achieved through two key components: 1) a complete scalar function, referred to as the canonical form of the geometric graph; and 2) a full-rank steerable basis set. Leveraging this finding, we propose an efficient algorithm for constructing complete equivariant GNNs based on two common models: EGNN and TFN. Empirical results demonstrate that our model demonstrates superior completeness and excellent performance with only a few layers, thereby significantly reducing computational overhead while maintaining strong practical efficacy.