# On Diffusion Process in SE(3)-invariant Space

arXiv: https://arxiv.org/abs/2403.01430 · HTML: https://mlsanity.com/paper/2403.01430/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 32 of its 50 references that are in the map.
- First posted on arXiv 3 Mar 2024.

## Builds on (most cited first, 30 of 32)

- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [Denoising Diffusion Implicit Models](https://mlsanity.com/paper/2010.02502/) (2020)
- [Score-Based Generative Modeling through Stochastic Differential Equations](https://mlsanity.com/paper/2011.13456/) (2020)
- [How Powerful are Graph Neural Networks?](https://mlsanity.com/paper/1810.00826/) (2018)
- [Generative Modeling by Estimating Gradients of the Data Distribution](https://mlsanity.com/paper/1907.05600/) (2019)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps](https://mlsanity.com/paper/2206.00927/) (2022)
- [Consistency Models](https://mlsanity.com/paper/2303.01469/) (2023)
- [DPM-Solver++: Fast Solver for Guided Sampling of Diffusion Probabilistic Models](https://mlsanity.com/paper/2211.01095/) (2022)
- [Diffusion Probabilistic Models for 3D Point Cloud Generation](https://mlsanity.com/paper/2103.01458/) (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)
- [Learning a Probabilistic Latent Space of Object Shapes via 3D Generative-Adversarial Modeling](https://mlsanity.com/paper/1610.07584/) (2016)
- [LION: Latent Point Diffusion Models for 3D Shape Generation](https://mlsanity.com/paper/2210.06978/) (2022)
- [3D Shape Generation and Completion through Point-Voxel Diffusion](https://mlsanity.com/paper/2104.03670/) (2021)
- [GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation](https://mlsanity.com/paper/2203.02923/) (2022)
- [Torsional Diffusion for Molecular Conformer Generation](https://mlsanity.com/paper/2206.01729/) (2022)
- [GEOM: Energy-annotated molecular conformations for property prediction and molecular generation](https://mlsanity.com/paper/2006.05531/) (2020)
- [Riemannian Score-Based Generative Modelling](https://mlsanity.com/paper/2202.02763/) (2022)
- [SE(3) diffusion model with application to protein backbone generation](https://mlsanity.com/paper/2302.02277/) (2023)
- [Learning Gradient Fields for Molecular Conformation Generation](https://mlsanity.com/paper/2105.03902/) (2021)
- [Learnable Triangulation of Human Pose](https://mlsanity.com/paper/1905.05754/) (2019)
- [DiT-3D: Exploring Plain Diffusion Transformers for 3D Shape Generation](https://mlsanity.com/paper/2307.01831/) (2023)
- [GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles](https://mlsanity.com/paper/2106.07802/) (2021)
- [Self-Supervised Learning of 3D Human Pose using Multi-view Geometry](https://mlsanity.com/paper/1903.02330/) (2019)
- [Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2205.15019/) (2022)
- [Learning Neural Generative Dynamics for Molecular Conformation Generation](https://mlsanity.com/paper/2102.10240/) (2021)
- [Generative Diffusion Models on Graphs: Methods and Applications](https://mlsanity.com/paper/2302.02591/) (2023)
- [Direct Molecular Conformation Generation](https://mlsanity.com/paper/2202.01356/) (2022)
- [Generating valid Euclidean distance matrices](https://mlsanity.com/paper/1910.03131/) (2019)

## Built on by (most cited first, 1 of 1)

- [Generating Physical Dynamics under Priors](https://mlsanity.com/paper/2409.00730/) (2024)

## Abstract (arXiv)

Sampling viable 3D structures (e.g., molecules and point clouds) with SE(3)-invariance using diffusion-based models proved promising in a variety of real-world applications, wherein SE(3)-invariant properties can be naturally characterized by the inter-point distance manifold. However, due to the non-trivial geometry, we still lack a comprehensive understanding of the diffusion mechanism within such SE(3)-invariant space. This study addresses this gap by mathematically delineating the diffusion mechanism under SE(3)-invariance, via zooming into the interaction behavior between coordinates and the inter-point distance manifold through the lens of differential geometry. Upon this analysis, we propose accurate and projection-free diffusion SDE and ODE accordingly. Such formulations enable enhancing the performance and the speed of generation pathways; meanwhile offering valuable insights into other systems incorporating SE(3)-invariance.