DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials

Abstract

In computed TEM tomography, image segmentation represents one of the most basic tasks with implications not only for 3D volume visualization, but more importantly for quantitative 3D analysis. In case of large and complex 3D data sets, segmentation can be an extremely difficult and laborious task, and thus has been one of the biggest hurdles for comprehensive 3D analysis. Heterogeneous catalysts have complex surface and bulk structures, and often sparse distribution of catalytic particles with relatively poor intrinsic contrast, which possess a unique challenge for image segmentation, including the current state-of-the-art deep learning methods. To tackle this problem, we apply a deep learning-based approach for the multi-class semantic segmentation of a γ-Alumina/Pt catalytic material in a class imbalance situation. Specifically, we used the weighted focal loss as a loss function and attached it to the U-Net’s fully convolutional network architecture. We assessed the accuracy of our results using Dice similarity coefficient (DSC), recall, precision, and Hausdorff distance (HD) metrics on the overlap between the ground-truth and predicted segmentations. Our adopted U-Net model with the weighted focal loss function achieved an average DSC score of 0.96 ± 0.003 in the γ-Alumina support material and 0.84 ± 0.03 in the Pt NPsmore » segmentation tasks. We report an average boundary-overlap error of less than 2 nm at the 90th percentile of HD for γ-Alumina and Pt NPs segmentations. The complex surface morphology of γ-Alumina and its relation to the Pt NPs were visualized in 3D by the deep learning-assisted automatic segmentation of a large data set of high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) tomography reconstructions.« less

Authors:
 [1];  [2];  [1]
  1. The Ohio State Univ., Columbus, OH (United States)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1895125
Report Number(s):
PNNL-SA-174381
Journal ID: ISSN 2045-2322
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 12; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Materials for energy and catalysis; Transmission electron microscopy

Citation Formats

Genc, Arda, Kovarik, Libor, and Fraser, Hamish L. A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials. United States: N. p., 2022. Web. doi:10.1038/s41598-022-16429-3.
Genc, Arda, Kovarik, Libor, & Fraser, Hamish L. A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials. United States. https://doi.org/10.1038/s41598-022-16429-3
Genc, Arda, Kovarik, Libor, and Fraser, Hamish L. Wed . "A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials". United States. https://doi.org/10.1038/s41598-022-16429-3. https://www.osti.gov/servlets/purl/1895125.
@article{osti_1895125,
title = {A deep learning approach for semantic segmentation of unbalanced data in electron tomography of catalytic materials},
author = {Genc, Arda and Kovarik, Libor and Fraser, Hamish L.},
abstractNote = {In computed TEM tomography, image segmentation represents one of the most basic tasks with implications not only for 3D volume visualization, but more importantly for quantitative 3D analysis. In case of large and complex 3D data sets, segmentation can be an extremely difficult and laborious task, and thus has been one of the biggest hurdles for comprehensive 3D analysis. Heterogeneous catalysts have complex surface and bulk structures, and often sparse distribution of catalytic particles with relatively poor intrinsic contrast, which possess a unique challenge for image segmentation, including the current state-of-the-art deep learning methods. To tackle this problem, we apply a deep learning-based approach for the multi-class semantic segmentation of a γ-Alumina/Pt catalytic material in a class imbalance situation. Specifically, we used the weighted focal loss as a loss function and attached it to the U-Net’s fully convolutional network architecture. We assessed the accuracy of our results using Dice similarity coefficient (DSC), recall, precision, and Hausdorff distance (HD) metrics on the overlap between the ground-truth and predicted segmentations. Our adopted U-Net model with the weighted focal loss function achieved an average DSC score of 0.96 ± 0.003 in the γ-Alumina support material and 0.84 ± 0.03 in the Pt NPs segmentation tasks. We report an average boundary-overlap error of less than 2 nm at the 90th percentile of HD for γ-Alumina and Pt NPs segmentations. The complex surface morphology of γ-Alumina and its relation to the Pt NPs were visualized in 3D by the deep learning-assisted automatic segmentation of a large data set of high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) tomography reconstructions.},
doi = {10.1038/s41598-022-16429-3},
journal = {Scientific Reports},
number = 1,
volume = 12,
place = {United States},
year = {Wed Sep 28 00:00:00 EDT 2022},
month = {Wed Sep 28 00:00:00 EDT 2022}
}

Works referenced in this record:

Fully convolutional networks for semantic segmentation
conference, June 2015

  • Long, Jonathan; Shelhamer, Evan; Darrell, Trevor
  • 2015 IEEE Conference on Computer Vision and Pattern Recognition (CVPR)
  • DOI: 10.1109/CVPR.2015.7298965

Object matching algorithms using robust Hausdorff distance measures
journal, March 1999

  • Dong-Gyu Sim,
  • IEEE Transactions on Image Processing, Vol. 8, Issue 3
  • DOI: 10.1109/83.748897

Embedded Nanostructures Revealed in Three Dimensions
journal, September 2005


DeepEM3D: approaching human-level performance on 3D anisotropic EM image segmentation
journal, March 2017


U-Net: Convolutional Networks for Biomedical Image Segmentation
book, November 2015

  • Ronneberger, Olaf; Fischer, Philipp; Brox, Thomas
  • Medical Image Computing and Computer-Assisted Intervention – MICCAI 2015: 18th International Conference, Munich, Germany, October 5-9, 2015, Proceedings, Part III
  • DOI: 10.1007/978-3-319-24574-4_28

TomoPy: a framework for the analysis of synchrotron tomographic data
journal, August 2014

  • Gürsoy, Dogˇa; De Carlo, Francesco; Xiao, Xianghui
  • Journal of Synchrotron Radiation, Vol. 21, Issue 5
  • DOI: 10.1107/S1600577514013939

Deep Learning for Semantic Segmentation of Defects in Advanced STEM Images of Steels
journal, September 2019


Focal Loss for Dense Object Detection
journal, February 2020

  • Lin, Tsung-Yi; Goyal, Priya; Girshick, Ross
  • IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol. 42, Issue 2
  • DOI: 10.1109/TPAMI.2018.2858826

Deep learning
journal, May 2015

  • LeCun, Yann; Bengio, Yoshua; Hinton, Geoffrey
  • Nature, Vol. 521, Issue 7553
  • DOI: 10.1038/nature14539

Understanding important features of deep learning models for segmentation of high-resolution transmission electron microscopy images
journal, July 2020

  • Horwath, James P.; Zakharov, Dmitri N.; Mégret, Rémi
  • npj Computational Materials, Vol. 6, Issue 1
  • DOI: 10.1038/s41524-020-00363-x

High Throughput Quantitative Metallography for Complex Microstructures Using Deep Learning: A Case Study in Ultrahigh Carbon Steel
journal, February 2019


Hausdorff Distance with Outliers and Noise Resilience Capabilities
journal, June 2021


Precise Identification and Characterization of Catalytically Active Sites on the Surface of γ‐Alumina**
journal, June 2021

  • Khivantsev, Konstantin; Jaegers, Nicholas R.; Kwak, Ja‐Hun
  • Angewandte Chemie, Vol. 133, Issue 32
  • DOI: 10.1002/ange.202102106

V-Net: Fully Convolutional Neural Networks for Volumetric Medical Image Segmentation
conference, October 2016

  • Milletari, Fausto; Navab, Nassir; Ahmadi, Seyed-Ahmad
  • 2016 Fourth International Conference on 3D Vision (3DV)
  • DOI: 10.1109/3DV.2016.79

Fully Convolutional Architectures for Multiclass Segmentation in Chest Radiographs
journal, August 2018

  • Novikov, Alexey A.; Lenis, Dimitrios; Major, David
  • IEEE Transactions on Medical Imaging, Vol. 37, Issue 8
  • DOI: 10.1109/TMI.2018.2806086

Rapid and flexible segmentation of electron microscopy data using few-shot machine learning
journal, November 2021

  • Akers, Sarah; Kautz, Elizabeth; Trevino-Gavito, Andrea
  • npj Computational Materials, Vol. 7, Issue 1
  • DOI: 10.1038/s41524-021-00652-z

Metrics for evaluating 3D medical image segmentation: analysis, selection, and tool
journal, August 2015


3D electron microscopy in the physical sciences: the development of Z-contrast and EFTEM tomography
journal, September 2003


3D-TEM investigation of the nanostructure of a δ-Al 2 O 3 catalyst support decorated with Pd nanoparticles
journal, January 2012

  • Roiban, Lucian; Sorbier, Loïc; Pichon, Christophe
  • Nanoscale, Vol. 4, Issue 3
  • DOI: 10.1039/C2NR11235C

Weighted Focal Loss: An Effective Loss Function to Overcome Unbalance Problem of Chest X-ray14
journal, October 2018


Tomography and High-Resolution Electron Microscopy Study of Surfaces and Porosity in a Plate-like γ-Al 2 O 3
journal, December 2012

  • Kovarik, Libor; Genc, Arda; Wang, Chongmin
  • The Journal of Physical Chemistry C, Vol. 117, Issue 1
  • DOI: 10.1021/jp306800h

Deep learning STEM-EDX tomography of nanocrystals
journal, February 2021


2D & 3D in situ study of the calcination of Pd nanocatalysts supported on delta-Alumina in an Environmental Transmission Electron Microscope
journal, August 2019


Guest Editorial Deep Learning in Medical Imaging: Overview and Future Promise of an Exciting New Technique
journal, May 2016

  • Greenspan, Hayit; van Ginneken, Bram; Summers, Ronald M.
  • IEEE Transactions on Medical Imaging, Vol. 35, Issue 5
  • DOI: 10.1109/TMI.2016.2553401

Loss Weightings for Improving Imbalanced Brain Structure Segmentation Using Fully Convolutional Networks
journal, July 2021


Delving Deep into Rectifiers: Surpassing Human-Level Performance on ImageNet Classification
conference, December 2015

  • He, Kaiming; Zhang, Xiangyu; Ren, Shaoqing
  • 2015 IEEE International Conference on Computer Vision (ICCV)
  • DOI: 10.1109/ICCV.2015.123

Unified Focal loss: Generalising Dice and cross entropy-based losses to handle class imbalanced medical image segmentation
journal, January 2022


A survey of loss functions for semantic segmentation
conference, October 2020

  • Jadon, Shruti
  • 2020 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)
  • DOI: 10.1109/CIBCB48159.2020.9277638

Whole-cell segmentation of tissue images with human-level performance using large-scale data annotation and deep learning
journal, November 2021


Maximum Likelihood Reconstruction for Emission Tomography
journal, October 1982


Electron Tomography of Nanoparticle Catalysts on Porous Supports:  A New Technique Based on Rutherford Scattering
journal, August 2001

  • Weyland, Matthew; Midgley, Paul A.; Thomas, John Meurig
  • The Journal of Physical Chemistry B, Vol. 105, Issue 33
  • DOI: 10.1021/jp011566s

Comparing images using the Hausdorff distance
journal, January 1993

  • Huttenlocher, D. P.; Klanderman, G. A.; Rucklidge, W. J.
  • IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol. 15, Issue 9
  • DOI: 10.1109/34.232073

Generalised Dice Overlap as a Deep Learning Loss Function for Highly Unbalanced Segmentations
book, January 2017

  • Sudre, Carole H.; Li, Wenqi; Vercauteren, Tom
  • Deep Learning in Medical Image Analysis and Multimodal Learning for Clinical Decision Support
  • DOI: 10.1007/978-3-319-67558-9_28

0.7 Å Resolution Electron Tomography Enabled by Deep‐Learning‐Aided Information Recovery
journal, September 2020

  • Wang, Chunyang; Ding, Guanglei; Liu, Yitong
  • Advanced Intelligent Systems, Vol. 2, Issue 12
  • DOI: 10.1002/aisy.202000152

ParaView: An End-User Tool for Large-Data Visualization
book, January 2005


Rapid alignment of nanotomography data using joint iterative reconstruction and reprojection
journal, September 2017


Integration of TomoPy and the ASTRA toolbox for advanced processing and reconstruction of tomographic synchrotron data
journal, April 2016

  • Pelt, Daniël M.; Gürsoy, Dogˇa; Palenstijn, Willem Jan
  • Journal of Synchrotron Radiation, Vol. 23, Issue 3
  • DOI: 10.1107/S1600577516005658

Nanoscale scanning transmission electron tomography
journal, September 2006


Z-Contrast tomography: a technique in three-dimensional nanostructural analysis based on Rutherford scattering
journal, January 2001

  • Midgley, Paul A.; Weyland, Matthew; Thomas, John Meurig
  • Chemical Communications, Issue 10
  • DOI: 10.1039/b101819c