A Gaussian Parameterization for Direct Atomic Structure Identification in Electron Tomography
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914205301473280 |
|---|---|
| author | Singh, Nalini M. Chien, Tiffany McCray, Arthur R. C. Ophus, Colin Waller, Laura |
| author_facet | Singh, Nalini M. Chien, Tiffany McCray, Arthur R. C. Ophus, Colin Waller, Laura |
| contents | Atomic electron tomography (AET) enables the determination of 3D atomic structures by acquiring a sequence of 2D tomographic projection measurements of a particle and then computationally solving for its underlying 3D representation. Classical tomography algorithms solve for an intermediate volumetric representation that is post-processed into the atomic structure of interest. In this paper, we reformulate the tomographic inverse problem to solve directly for the locations and properties of individual atoms. We parameterize an atomic structure as a collection of Gaussians, whose positions and properties are learnable. This representation imparts a strong physical prior on the learned structure, which we show yields improved robustness to real-world imaging artifacts. Simulated experiments and a proof-of-concept result on experimentally-acquired data confirm our method's potential for practical applications in materials characterization and analysis with Transmission Electron Microscopy (TEM). Our code is available at https://github.com/nalinimsingh/gaussian-atoms. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_15034 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | A Gaussian Parameterization for Direct Atomic Structure Identification in Electron Tomography Singh, Nalini M. Chien, Tiffany McCray, Arthur R. C. Ophus, Colin Waller, Laura Image and Video Processing Computer Vision and Pattern Recognition Atomic electron tomography (AET) enables the determination of 3D atomic structures by acquiring a sequence of 2D tomographic projection measurements of a particle and then computationally solving for its underlying 3D representation. Classical tomography algorithms solve for an intermediate volumetric representation that is post-processed into the atomic structure of interest. In this paper, we reformulate the tomographic inverse problem to solve directly for the locations and properties of individual atoms. We parameterize an atomic structure as a collection of Gaussians, whose positions and properties are learnable. This representation imparts a strong physical prior on the learned structure, which we show yields improved robustness to real-world imaging artifacts. Simulated experiments and a proof-of-concept result on experimentally-acquired data confirm our method's potential for practical applications in materials characterization and analysis with Transmission Electron Microscopy (TEM). Our code is available at https://github.com/nalinimsingh/gaussian-atoms. |
| title | A Gaussian Parameterization for Direct Atomic Structure Identification in Electron Tomography |
| topic | Image and Video Processing Computer Vision and Pattern Recognition |
| url | https://arxiv.org/abs/2512.15034 |