# Atom identification in bilayer moire materials with Gomb-Net

arXiv: https://arxiv.org/abs/2502.09791 · HTML: https://mlsanity.com/paper/2502.09791/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 6 of its 39 references that are in the map.
- First posted on arXiv 13 Feb 2025.

## Builds on (most cited first, 6 of 6)

- [U-Net: Convolutional Networks for Biomedical Image Segmentation](https://mlsanity.com/paper/1505.04597/) (2015)
- [Optuna: A Next-generation Hyperparameter Optimization Framework](https://mlsanity.com/paper/1907.10902/) (2019)
- [Image Segmentation Using Deep Learning: A Survey](https://mlsanity.com/paper/2001.05566/) (2020)
- [Generalised Dice overlap as a deep learning loss function for highly unbalanced segmentations](https://mlsanity.com/paper/1707.03237/) (2017)
- [Tune: A Research Platform for Distributed Model Selection and Training](https://mlsanity.com/paper/1807.05118/) (2018)
- [AtomAI: A Deep Learning Framework for Analysis of Image and Spectroscopy Data in (Scanning) Transmission Electron Microscopy and Beyond](https://mlsanity.com/paper/2105.07485/) (2021)

## Abstract (arXiv)

Moire patterns in van der Waals bilayer materials complicate the analysis of atomic-resolution images, hindering the atomic-scale insight typically attainable with scanning transmission electron microscopy. Here, we report a method to detect the positions and identities of atoms in each of the individual layers that compose twisted bilayer heterostructures. We developed a deep learning model, Gomb-Net, which identifies the coordinates and atomic species in each layer, effectively deconvoluting the moire pattern. This enables layer-specific mapping of quantities like strain and dopant distributions, unlike other commonly used segmentation models which struggle with moire-induced complexity. Using this approach, we explored the Se atom substitutional site distribution in a twisted fractional Janus WS2-WS2(1-x)Se2x heterostructure and found that layer-specific implantation sites are unaffected by the moire pattern's local energetic or electronic modulation. This advancement enables atom identification within material regimes where it was not possible before, opening new insights into previously inaccessible material physics.