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<article xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:oasis="http://docs.oasis-open.org/ns/oasis-exchange/table" xml:lang="en" dtd-version="3.0"><?xmltex \bartext{}?>
  <front>
    <journal-meta><journal-id journal-id-type="publisher">GMD</journal-id><journal-title-group>
    <journal-title>Geoscientific Model Development</journal-title>
    <abbrev-journal-title abbrev-type="publisher">GMD</abbrev-journal-title><abbrev-journal-title abbrev-type="nlm-ta">Geosci. Model Dev.</abbrev-journal-title>
  </journal-title-group><issn pub-type="epub">1991-9603</issn><publisher>
    <publisher-name>Copernicus Publications</publisher-name>
    <publisher-loc>Göttingen, Germany</publisher-loc>
  </publisher></journal-meta>
    <article-meta>
      <article-id pub-id-type="doi">10.5194/gmd-13-315-2020</article-id><title-group><article-title>CobWeb 1.0: machine learning toolbox for tomographic imaging</article-title><alt-title>CobWeb 1.0</alt-title>
      </title-group><?xmltex \runningtitle{CobWeb 1.0}?><?xmltex \runningauthor{S. Chauhan et al.}?>
      <contrib-group>
        <contrib contrib-type="author" corresp="yes" rid="aff1 aff2">
          <name><surname>Chauhan</surname><given-names>Swarup</given-names></name>
          <email>ssschauhan@gmail.com</email>
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1 aff3 aff6">
          <name><surname>Sell</surname><given-names>Kathleen</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff4">
          <name><surname>Rühaak</surname><given-names>Wolfram</given-names></name>
          
        <ext-link>https://orcid.org/0000-0002-2856-8111</ext-link></contrib>
        <contrib contrib-type="author" corresp="no" rid="aff5">
          <name><surname>Wille</surname><given-names>Thorsten</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff2">
          <name><surname>Sass</surname><given-names>Ingo</given-names></name>
          
        </contrib>
        <aff id="aff1"><label>1</label><institution>Institute for Geosciences, Johannes Gutenberg-University, 55099 Mainz, Germany</institution>
        </aff>
        <aff id="aff2"><label>2</label><institution>Institute of Applied Geosciences, University of Technology, 64287
Darmstadt, Germany</institution>
        </aff>
        <aff id="aff3"><label>3</label><institution>igem – Institute for Geothermal Resource Management, Berlinstr.
107a, 55411 Bingen, Germany</institution>
        </aff>
        <aff id="aff4"><label>4</label><institution>Bundesgesellschaft für Endlagerung mbH (BGE), 38226 Peine,
Germany</institution>
        </aff>
        <aff id="aff5"><label>5</label><institution>APS Antriebs-, Prüf- und Steuertechnik GmbH, Götzenbreite 12, 37124 Rosdorf, Germany</institution>
        </aff>
        <aff id="aff6"><label>a</label><institution>now at: Ministry of Economic Affairs Rhineland Palatine, Stiftsstrasse 9, 55116 Mainz, Germany</institution>
        </aff>
      </contrib-group>
      <author-notes><corresp id="corr1">Swarup Chauhan (ssschauhan@gmail.com)</corresp></author-notes><pub-date><day>31</day><month>January</month><year>2020</year></pub-date>
      
      <volume>13</volume>
      <issue>1</issue>
      <fpage>315</fpage><lpage>334</lpage>
      <history>
        <date date-type="received"><day>21</day><month>December</month><year>2018</year></date>
           <date date-type="rev-request"><day>20</day><month>March</month><year>2019</year></date>
           <date date-type="rev-recd"><day>29</day><month>November</month><year>2019</year></date>
           <date date-type="accepted"><day>7</day><month>December</month><year>2019</year></date>
      </history>
      <permissions>
        <copyright-statement>Copyright: © 2020 Swarup Chauhan et al.</copyright-statement>
        <copyright-year>2020</copyright-year>
      <license license-type="open-access"><license-p>This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this licence, visit <ext-link ext-link-type="uri" xlink:href="https://creativecommons.org/licenses/by/4.0/">https://creativecommons.org/licenses/by/4.0/</ext-link></license-p></license></permissions><self-uri xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020.html">This article is available from https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020.html</self-uri><self-uri xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020.pdf">The full text article is available as a PDF file from https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020.pdf</self-uri>
      <abstract><title>Abstract</title>
    <p id="d1e152">Despite the availability of both commercial and open-source software, an
ideal tool for digital rock physics analysis for accurate automatic image
analysis at ambient computational performance is difficult to pinpoint. More
often, image segmentation is driven manually, where the performance remains
limited to two phases. Discrepancies due to artefacts cause inaccuracies in
image analysis. To overcome these problems, we have developed CobWeb 1.0, which is automated and explicitly tailored for accurate
greyscale (multiphase) image segmentation using unsupervised and supervised
machine learning techniques. In this study, we demonstrate image
segmentation using unsupervised machine learning techniques. The simple and
intuitive layout of the graphical user interface enables easy access to
perform image enhancement and image segmentation, and further to obtain the
accuracy of different segmented classes. The graphical user interface
enables not only processing of a full 3-D digital rock dataset but also
provides a quick and easy region-of-interest selection, where a
representative elementary volume can be extracted and processed. The CobWeb
software package covers image processing and machine learning libraries of
MATLAB<sup>®</sup> used for image enhancement and image
segmentation operations, which are compiled into series of Windows-executable binaries. Segmentation can be performed using unsupervised,
supervised and ensemble classification tools. Additionally, based on the
segmented phases, geometrical parameters such as pore size distribution,
relative porosity trends and volume fraction can be calculated and
visualized. The CobWeb software allows the export of data to various formats
such as ParaView (.vtk), DSI Studio (.fib) for visualization and animation,
and Microsoft<sup>®</sup> Excel and
MATLAB<sup>®</sup> for numerical calculation and
simulations. The capability of this new software is verified using
high-resolution synchrotron tomography datasets, as well as lab-based
(cone-beam) X-ray microtomography datasets. Regardless of the high spatial
resolution (submicrometre), the synchrotron dataset contained edge
enhancement artefacts which were eliminated using a novel dual filtering and
dual segmentation procedure.</p>
  </abstract>
    </article-meta>
  </front>
<body>
      

      <?xmltex \floatpos{t}?><fig id="Ch1.F1" specific-use="star"><?xmltex \currentcnt{1}?><label>Figure 1</label><caption><p id="d1e168">Market survey of the currently available commercial software <bold>(a)</bold>
and open-source software <bold>(b)</bold> assisting in digital rock physics analysis with
features as indicated in the legend.</p></caption>
      <?xmltex \igopts{width=398.338583pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f01.png"/>

    </fig>

<sec id="Ch1.S1" sec-type="intro">
  <label>1</label><title>Introduction</title>
      <p id="d1e190">Currently, a vast number of available commercial and open-source software
packages for pore-scale analysis and modelling exist (compiled in Fig. 1), but dedicated approaches to verify the accuracy of the segmented phases
are lacking. To the best of our knowledge, the current practice among
researchers is to alternate between different available software tools and
to synthesize the different datasets using individually aligned workflows.
Porosity and, in particular, permeability can vary dramatically with small
changes in segmentation, as significant features on the pore scale get lost
when thresholding greyscale tomography images to binary images, even if
using the most advanced data acquiring techniques like synchrotron
tomography (Leu et al., 2014). Our new CobWeb 1.0 visualization and image
analysis toolkit addresses some of the challenges of selecting
representative elementary volume (REV) for X-ray computed tomography (XCT)
datasets reported earlier by several researchers<?pagebreak page316?> (Zhang et al., 2000;
Gitman et al., 2006; Razavi et al., 2007; Al-Raoush and Papadopoulos, 2010;
Costanza-Robinson et al., 2011; Leu et al., 2014). The software is built on
scientific studies which have been peer-reviewed and accepted in the
scientific community (Chauhan et al., 2016a, b). The
spinoff for these studies was not the lack of accuracy provided by manual
segmentation schemes but the subjective assessment and non-comparability
caused by the individual human assessor. Therefore, automated segmentation
schemes offer speed, accuracy and possibility to intercompare results,
enhancing traceability and reproducibility in the evaluation process. To our
knowledge, none of the XCT software used in rock science community relies
explicitly on machine learning to perform segmentation, which makes the
software unique.</p>
      <p id="d1e193">Despite many review articles and scientific publication highlighting potential
of machine learning and deep learning (Iassonov et al., 2009; Cnudde and
Boone, 2013; Schlüter et al., 2014), software libraries or toolboxes are
seldom made available. Thus, with CobWeb, we started  to
fill this gap for the first time. Despite its limited volume-rendering capabilities, it is
a useful tool, and the current version of the software can be applied in
scientific and industrial studies. CobWeb provides an appropriate test
platform where new segmentation and filtration schemes can be tested and
used as a complementary tool to the simulation software, GeoDict and Volume
Graphics. The simulation software (GeoDict and Volume Graphics) has
benchmarked solvers for performing flow, diffusion, dispersion, advection-type simulation, but their accuracy relies heavily on the finely segmented
datasets. This software is based on a machine learning approach with great
potential for segmentation analysis, as introduced previously (Chauhan et
al., 2016a, b). Further, this software tool package was
developed on a MATLAB<sup>®</sup> workbench and can be used
as a Windows stand-alone executable (.exe) file or as a
MATLAB<sup>®</sup> plugin. The dataset for the gas hydrate (GH)
sediment  geomaterials was acquired using monochromatic synchrotron
X-ray, unhampered by beam hardening; Sell et al. (2016) highlighted
problems with edge enhancement artefact and recommended image morphological
strategies to tackle this challenge. In this paper, we therefore also describe a strategy to eliminate ED artefacts using the same dataset but
applying the new machine learning approach.</p>
</sec>
<?pagebreak page317?><sec id="Ch1.S2">
  <label>2</label><title>Image processing</title>
<sec id="Ch1.S2.SS1">
  <label>2.1</label><title>Image pre-processing</title>
      <p id="d1e217">Image pre-processing is one of the essential and precautionary steps before
image segmentation (Iassonov et al., 2009; Schlüter et al., 2014). Image
enhancement filtering techniques help to reduce artefacts such as blur,
background intensity and contrast variation, whereas denoise filters such as
the median filter, non-local means filter and anisotropic diffusion filter can
assist in lowering the phase misclassification and improving the convergence
rate of automatic segmentation schemes. CobWeb 1.0 is equipped with image
enhancement and denoise filters, namely <italic>imsharpen</italic>, <italic>non-local-means</italic>, <italic>anisotropic diffusion</italic> and <italic>fspecial</italic>, which are commonly used in the XCT
image analysis community.</p>
<sec id="Ch1.S2.SS1.SSS1">
  <label>2.1.1</label><?xmltex \opttitle{The \textit{imsharpen} image enhancement}?><title>The <italic>imsharpen</italic> image enhancement</title>
      <p id="d1e243">Despite being at the instrument level, different measures can be taken to improve
the resolution of the X-ray volumetric data; the contrast in the XCT images
depends particularly on the composition and corresponding densities (optical
depth) of the test sample. Therefore, it is somewhat difficult to enhance
contrast at the experimental setup or at the X-ray system design control
stage. Thus, the contrast needs to be enhanced or adjusted after the
volumetric image has been generated. For this purpose, image sharpening can
be used. Image sharpening is a sort of contrast enhancement. The contrast
enhancements generally take place at the contours, where high and low
greyscale pixel value intensities meet (Parker, 2010).</p>
</sec>
<sec id="Ch1.S2.SS1.SSS2">
  <label>2.1.2</label><title>Anisotropic diffusion image filtering</title>
      <p id="d1e254">For intuition purposes, an anisotropic diffusion (AD) filter  can be thought as a
(Gaussian) blur filter. AD blurs the image, where it carefully smooths the
textures in the image by preserving its edges (Kaestner et al., 2008; Porter
et al., 2010; Schlüter et al., 2014). To achieve the smoothing
along with edge preservation, the AD filter performs an iteration to solve
non-linear partial differential equations (PDEs) of diffusion:
              <disp-formula id="Ch1.E1" content-type="numbered"><label>1</label><mml:math id="M1" display="block"><mml:mrow><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:mo>∂</mml:mo><mml:mi>I</mml:mi></mml:mrow><mml:mrow><mml:mo>∂</mml:mo><mml:mi>t</mml:mi></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>=</mml:mo><mml:mi>c</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo><mml:mi mathvariant="normal">Δ</mml:mi><mml:mi>I</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>c</mml:mi><mml:mo>⋅</mml:mo><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>I</mml:mi><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where <inline-formula><mml:math id="M2" display="inline"><mml:mi>I</mml:mi></mml:math></inline-formula> is the image, <inline-formula><mml:math id="M3" display="inline"><mml:mi>t</mml:mi></mml:math></inline-formula> is the time of evolution, and <inline-formula><mml:math id="M4" display="inline"><mml:mi>c</mml:mi></mml:math></inline-formula> is the flux which controls the rate of diffusion at any point in the image.</p>
      <p id="d1e333">Perona and Malik (1990) introduce a flux function <inline-formula><mml:math id="M5" display="inline"><mml:mi>c</mml:mi></mml:math></inline-formula> to follow an
image gradient and stop or restrain the diffusion when it reaches the region
boundaries (edge preservation). This is given by

                  <disp-formula specific-use="align" content-type="numbered"><mml:math id="M6" display="block"><mml:mtable displaystyle="true"><mml:mlabeledtr id="Ch1.E2"><mml:mtd><mml:mtext>2</mml:mtext></mml:mtd><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mi>c</mml:mi><mml:mo>(</mml:mo><mml:mfenced close="∥" open="∥"><mml:mrow><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>I</mml:mi></mml:mrow></mml:mfenced><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mspace linebreak="nobreak" width="0.125em"/><mml:msup><mml:mi>e</mml:mi><mml:mrow><mml:mo>-</mml:mo><mml:mo>(</mml:mo><mml:mfenced close="∥" open="∥"><mml:mrow><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>I</mml:mi></mml:mrow></mml:mfenced><mml:mspace width="0.125em" linebreak="nobreak"/><mml:mi mathvariant="italic">κ</mml:mi><mml:msup><mml:mo>)</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:msup></mml:mrow></mml:mtd></mml:mlabeledtr><mml:mlabeledtr id="Ch1.E3"><mml:mtd><mml:mtext>3</mml:mtext></mml:mtd><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle displaystyle="true" class="stylechange"/><mml:mfenced open="(" close=")"><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>I</mml:mi></mml:mrow></mml:mfenced></mml:mfenced><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mn mathvariant="normal">1</mml:mn><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>+</mml:mo><mml:msup><mml:mfenced close=")" open="("><mml:mstyle displaystyle="false"><mml:mfrac style="text"><mml:mrow><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi mathvariant="normal">∇</mml:mi><mml:mi>I</mml:mi></mml:mrow></mml:mfenced></mml:mrow><mml:mi mathvariant="italic">κ</mml:mi></mml:mfrac></mml:mstyle></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>.</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr></mml:mtable></mml:math></disp-formula>

              Here, the parameter <inline-formula><mml:math id="M7" display="inline"><mml:mi mathvariant="italic">κ</mml:mi></mml:math></inline-formula> is a tuning parameter that determines if the
given edge to be considered as a boundary or not. A large value of <inline-formula><mml:math id="M8" display="inline"><mml:mi mathvariant="italic">κ</mml:mi></mml:math></inline-formula>
leads to an isotropic solution, and the edges are removed. For our
investigations, the parameter <inline-formula><mml:math id="M9" display="inline"><mml:mi mathvariant="italic">κ</mml:mi></mml:math></inline-formula> (threshold stop) was fixed to the
value 22 968, which is the edge preservation limit between quartz grain and
hydrate phase. The desired denoising (blurring/smoothing) was achieved
within five iteration steps.</p>
</sec>
<sec id="Ch1.S2.SS1.SSS3">
  <label>2.1.3</label><title>Non-local means image filtering</title>
      <p id="d1e468">The non-local means (NLM) filter is based on the assumption that the image
contains an extensive amount of self-similarity (Buades et al., 2005;
Shreyamsha Kumar, 2013). Based on this assumption, Buades et al. (2005)
extended the linear neighbourhood SUSAN filter (Smith and Brady, 1997) with
non-local class. Thus, through the non-local class, the spatial search for
similar pixel values is not restricted to a constrained neighbourhood pixel
but the whole image is part of the search for similar pixel values. This is given by the following equation:
              <disp-formula id="Ch1.E4" content-type="numbered"><label>4</label><mml:math id="M10" display="block"><mml:mrow><mml:mi>N</mml:mi><mml:mi>L</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:munder><mml:mo movablelimits="false">∑</mml:mo><mml:mrow><mml:mi>j</mml:mi><mml:mo>∈</mml:mo><mml:mi>I</mml:mi></mml:mrow></mml:munder><mml:mi>w</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mspace width="0.125em" linebreak="nobreak"/><mml:mi>j</mml:mi><mml:mo>)</mml:mo><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where NL<inline-formula><mml:math id="M11" display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is the estimated non-local intensity of the pixel <inline-formula><mml:math id="M12" display="inline"><mml:mi>i</mml:mi></mml:math></inline-formula>,
<inline-formula><mml:math id="M13" display="inline"><mml:mi>I</mml:mi></mml:math></inline-formula> is the image, and <inline-formula><mml:math id="M14" display="inline"><mml:mrow><mml:mi>w</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is the weight (or average value) applied to noisy image <inline-formula><mml:math id="M15" display="inline"><mml:mrow><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> to obtain and restore the pixel <inline-formula><mml:math id="M16" display="inline"><mml:mi>i</mml:mi></mml:math></inline-formula>.</p>
      <p id="d1e589">However, for a practical and computational reason, the search is performed
within a search window or neighbourhood patches, and <inline-formula><mml:math id="M17" display="inline"><mml:mrow><mml:mi>w</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>
evaluates similarity in pixel intensities between local neighbourhood
patches. Here, the weight <inline-formula><mml:math id="M18" display="inline"><mml:mrow><mml:mi>w</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is calculated as
              <disp-formula id="Ch1.E5" content-type="numbered"><label>5</label><mml:math id="M19" display="block"><mml:mrow><mml:mi>w</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mn mathvariant="normal">1</mml:mn><mml:mrow><mml:mi>Z</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mfrac></mml:mstyle><mml:msup><mml:mi>e</mml:mi><mml:mrow><mml:mo>-</mml:mo><mml:mstyle scriptlevel="+1"><mml:mfrac><mml:mrow><mml:msubsup><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi>v</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfenced><mml:mrow><mml:mn mathvariant="normal">2</mml:mn><mml:mo>,</mml:mo><mml:mi mathvariant="italic">σ</mml:mi></mml:mrow><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow><mml:mrow><mml:msup><mml:mi>h</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:mfrac></mml:mstyle></mml:mrow></mml:msup><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where <inline-formula><mml:math id="M20" display="inline"><mml:mrow><mml:mi>Z</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is a normalization constant:
              <disp-formula id="Ch1.E6" content-type="numbered"><label>6</label><mml:math id="M21" display="block"><mml:mrow><mml:mi>Z</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:munder><mml:mo movablelimits="false">∑</mml:mo><mml:mi>j</mml:mi></mml:munder><mml:msup><mml:mi>e</mml:mi><mml:mrow><mml:mo>-</mml:mo><mml:mstyle scriptlevel="+1"><mml:mfrac><mml:mrow><mml:msubsup><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi>v</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfenced><mml:mrow><mml:mn mathvariant="normal">2</mml:mn><mml:mo>,</mml:mo><mml:mi mathvariant="italic">σ</mml:mi></mml:mrow><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow><mml:mrow><mml:msup><mml:mi>h</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:mfrac></mml:mstyle></mml:mrow></mml:msup><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where <inline-formula><mml:math id="M22" display="inline"><mml:mrow><mml:mi>v</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>,</mml:mo><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> are the local neighbourhood patches.</p>
      <p id="d1e827">The similarity is fulfilled as the Euclidean distance between the local
neighbourhood patches exponentially decreases. <inline-formula><mml:math id="M23" display="inline"><mml:mrow><mml:mi mathvariant="italic">σ</mml:mi><mml:mo>&gt;</mml:mo><mml:mn mathvariant="normal">0</mml:mn></mml:mrow></mml:math></inline-formula> is the standard deviation. In Eqs. (5) and (6), the distance function <inline-formula><mml:math id="M24" display="inline"><mml:mrow><mml:msup><mml:mfenced close="∥" open="∥"><mml:mrow><mml:mi>v</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:mi>v</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula> is pointwise multiplied (convolved) with
<inline-formula><mml:math id="M25" display="inline"><mml:mi mathvariant="italic">σ</mml:mi></mml:math></inline-formula> to ensure a fair contribution of pixel values to the weighted
function.</p>
</sec>
<?pagebreak page318?><sec id="Ch1.S2.SS1.SSS4">
  <label>2.1.4</label><?xmltex \opttitle{The \textit{fspecial} image filtering}?><title>The <italic>fspecial</italic> image filtering</title>
      <p id="d1e895">The <italic>fspecial</italic> filter helps in creating  2-D high-pass and low-pass filters. High-pass
filters are used for sharpening and edge detection, whereas low-pass filters
are used for smoothing the image quality. Frequently used high-pass filters
are Laplacian and Sobel masks (kernel), and the most often used low-pass filter
is the Gaussian smoothing mask (mask). However, in the current version of
CobWeb, <italic>fspecial</italic> is implemented as an averaging filter. The filter is
directly applied on the 2-D slices without any convolution with the filter
kernel.</p>
</sec>
</sec>
<sec id="Ch1.S2.SS2">
  <label>2.2</label><title>Image segmentation</title>
      <p id="d1e913">A digital image comprises pixels of colour or greyscale intensities. Image
segmentation is partitioning or classifying the pixel intensities into
disjoint regions that are homogenous with respect to some characteristics
(Bishop, 2006). There are continuous research efforts done in various
international groups to improve and develop image segmentation approaches
(Mjolsness and DeCoste, 2001). In particular, the most popular and relevant
image segmentation approaches for analysing X-ray tomographic rock images
are presented in the review studies done by Iassonov et al. (2009) and
Schlüter et al. (2014). We use machine learning techniques for image
segmentation and have implemented algorithms such as <inline-formula><mml:math id="M26" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means, fuzzy <inline-formula><mml:math id="M27" display="inline"><mml:mi>c</mml:mi></mml:math></inline-formula> means
(unsupervised), least-square support vector machine (LSSVM) (supervised),
bragging and boosting (ensemble classifiers) for automatic segmentation
Chauhan et al. (2016a, b) and references therein. The
performance of these machine learning technique can be assessed by matrices
such as entropy, receiver operational characteristics (ROCs) and 10-fold
cross validation (Chauhan et al., 2016b). Below, all the above-mentioned
algorithms are described in brief.</p>
<sec id="Ch1.S2.SS2.SSS1">
  <label>2.2.1</label><title>Unsupervised machine learning techniques</title>
      <p id="d1e937">The <inline-formula><mml:math id="M28" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means algorithm is one of the simplest, yet robust, unsupervised machine learning
(ML) algorithms commonly used in partitioning data (MacQueen, 1967; Jain,
2010; Chauhan et al., 2016b). Through an iterative approach, the <inline-formula><mml:math id="M29" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means
algorithm computes the Euclidean distance between the data points (pixel
value) to its nearest centroid (cluster). The iteration converges when the
objective function, i.e. the mean square root error of Euclidean distance,
reaches the minimum. This is when each of the pixels in the dataset is
assigned to its nearest centroid (cluster). However, the <inline-formula><mml:math id="M30" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means algorithm
has the tendency to converge at local minima without reaching the global
minimum of the objective function. Therefore, it is recommended to
repeatedly run the algorithm to increase the likelihood that the global
minimum of the objective function will be identified. The performance of the
<inline-formula><mml:math id="M31" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means algorithm is influenced predominantly by the choice of the cluster
centres (Chauhan et al., 2016b).</p>
      <p id="d1e968">The fuzzy <inline-formula><mml:math id="M32" display="inline"><mml:mi>c</mml:mi></mml:math></inline-formula>-means (FCM) clustering procedure involves minimizing the
objective function (Dunn, 1973):
              <disp-formula id="Ch1.E7" content-type="numbered"><label>7</label><mml:math id="M33" display="block"><mml:mrow><mml:msub><mml:mi>J</mml:mi><mml:mtext>fcm</mml:mtext></mml:msub><mml:mfenced close=")" open="("><mml:mrow><mml:mi>Z</mml:mi><mml:mo>;</mml:mo><mml:mi>U</mml:mi><mml:mo>;</mml:mo><mml:mi>V</mml:mi></mml:mrow></mml:mfenced><mml:mo>=</mml:mo><mml:munderover><mml:mo movablelimits="false">∑</mml:mo><mml:mrow><mml:mi>j</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow><mml:mi>n</mml:mi></mml:munderover><mml:munderover><mml:mo movablelimits="false">∑</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow><mml:mi>k</mml:mi></mml:munderover><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="italic">μ</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub><mml:msup><mml:mo>)</mml:mo><mml:mi>m</mml:mi></mml:msup><mml:msup><mml:mfenced open="∥" close="∥"><mml:mrow><mml:msubsup><mml:mi>x</mml:mi><mml:mi>i</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:msubsup><mml:mo>-</mml:mo><mml:msub><mml:mi>c</mml:mi><mml:mi>k</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where <inline-formula><mml:math id="M34" display="inline"><mml:mrow><mml:msub><mml:mi>c</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:munderover><mml:mo movablelimits="false">∑</mml:mo><mml:mrow><mml:mi>j</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow><mml:mi>n</mml:mi></mml:munderover><mml:msub><mml:mi>u</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>x</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>,
<inline-formula><mml:math id="M35" display="inline"><mml:mrow><mml:msub><mml:mi>c</mml:mi><mml:mi>k</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>  is the <inline-formula><mml:math id="M36" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>th fuzzy cluster centre, <inline-formula><mml:math id="M37" display="inline"><mml:mi>m</mml:mi></mml:math></inline-formula> is the fuzziness
parameter, and <inline-formula><mml:math id="M38" display="inline"><mml:mrow><mml:mi>m</mml:mi><mml:mo>⋅</mml:mo><mml:msub><mml:mi>u</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math></inline-formula> is the membership function.</p>
      <p id="d1e1150">Unlike <inline-formula><mml:math id="M39" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means, FCM performs a sort of soft clustering; in the FCM iterative scheme, each data point can be a member of multiple clusters (Dunn, 1973;
Bezdek et al., 1987; Jain et al., 1999; Jain, 2010). This notion of fuzzy
clustering can be controlled by using a membership function (Zadeh, 1965).
The membership value is in the range [0,1], and by selecting different
membership values, the distance function can be regularized “loosely” or
“tightly”, and certain material phases with low volume fraction can be
conserved from being clustered in adjoining cluster boundaries. However, it is
essential to test different combinations of membership values with several
centroid centres (segmentation classes) to obtain reliable results.</p>
</sec>
<sec id="Ch1.S2.SS2.SSS2">
  <label>2.2.2</label><title>Supervised machine learning techniques</title>
      <p id="d1e1168">Similar to unsupervised techniques, the objective of the supervised machine
learning technique is to separate data. The advantage supervised technique
offers compared to unsupervised technique is that it is effective in
separating non-linear separable data (Haykin, 1995; Bishop, 2006). Datasets
can be linearly separable if the points in the dataset can be partitioned
into two classes using a threshold function (threshold should not be a
piecewise discontinuous function). Loosely speaking, the threshold function
fits a line to produce the partition. On the contrary, if we try to fit a
threshold function to a substantially overlapped dataset, this usually leads
to wrong partitioning (Bishop, 2006; Haykin, 1995). Therefore,  a dataset which has values very close to each other is regarded as a linearly inseparable dataset (Bishop, 2006). In a supervised technique, the prediction is made by a
model. The model is a mathematical function which fits a line or a plane
between linearly or non-linearly separable data to classify them into
different categories. The model's ability or intuition regarding where to place the
line or plane between the datasets to clearly separate (classify) them
is based on its (model) a priori knowledge of the dataset – this a priori
knowledge is called the training dataset. Therefore, unlike the unsupervised
technique, the supervised model needs to be trained on a subset of the
dataset. The training dataset is the only “window” through which the model
knows some pattern about the linear or non-linear separable dataset. How
well the model has acquired the knowledge of the training dataset
determines its success in prediction. If it has learned the training data
accurately, it picks up noise along with the<?pagebreak page319?> pattern and loses its
generalization ability, thus failing when introduced to an (unknown)
separable dataset. On the contrary, there could be failure in prediction caused due to inadequate training information provided to the model, or the selected model could be incapable of learning the information provided in the training dataset. Therefore, to manage a good tradeoff, cross-validation
techniques are used to monitor the learning rates of the model (Haykin,
1995).</p>
      <p id="d1e1171">Support vector machine (SVM) (Haykin, 1995) and its modified version (LSSVM) are one such category of the supervised ML
technique (Suykens and Vandewalle, 1999) and use the principles mentioned
above. The plane separating the data is termed a hyperplane. The
hyperplane has a boundary around it, which is called the margin, and the data points that lie closest to or on the margin are called the support vectors. The width of the margin governs the tradeoff, i.e. if the model is overfitted or underfitted to the training dataset, and can be verified through cross-validation techniques. If the width of the margin is two narrow (high learning rate),
the model is overfitted (high variance) to the training dataset and will
lose it generalization capability and may not separate the linear or
non-linear separable (unknown) data accurately. If the width of the margin
is too wide (very low learning rate), the model is underfitted (high bias)
to the training dataset and will fail. An optimal learning model has just the
appropriate width to maintain the generalization and also learn the
patterns in the dataset.</p>
      <p id="d1e1174">If the training dataset is non-linear and inseparable in a 2-D coordinate
system, it is useful to project the dataset in a 3-D coordinate system; thus,
by doing so, the added dimension (3-D) helps to visualize the data and find a
place to fit a hyperplane to separate them (Cover, 1965). So, SVM and
LSSVM use the principle of cover theorem (Cover, 1965) to project the
data into a higher dimension to make them linearly separable and transform
them back to the original coordinate system (Suykens and Vandewalle, 1999).
Hence, what type of projection is to be performed by the SVM or LSSVM is done
by choosing the appropriate kernel function (van Gestel et al., 2004). This
gives them the capability to attain the knowledge of the data and also
preserve the generalization behaviour of the model or the classifier. In the
original or the 2-D coordinate system, the hyperplane is no longer a line
but a convex-shaped curve which has clearly separated the data and
suitable margins to the support vectors. Here, 3-D implies a <inline-formula><mml:math id="M40" display="inline"><mml:mrow><mml:mn mathvariant="normal">2</mml:mn><mml:mo>+</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow></mml:math></inline-formula>
dimensional space which consists of two spatial dimensions that correspond
to the coordination of the pixels' position in the image and a third
dimension that corresponds to that of the greyscales that evolve as a result of the LSSVM
machine learning.</p>
</sec>
<sec id="Ch1.S2.SS2.SSS3">
  <label>2.2.3</label><title>Ensemble classifier technique</title>
      <p id="d1e1197">As the name implies, ensemble classifier is an approach where the decision
of several simple models is considered to improve the prediction
performance. The idea behind using ensemble methods emulates from a typical
human approach of exploring several options before making a decision. The
ensemble technique is faster compared to supervised techniques. Basically,
the evaluation of the decisions predicted by the simple models can be either
done sequentially (bragging or boosting) or in parallel (random forest). Our
toolbox used the sequential approach with a variation of bragging and boosting
for classification. These bragging and boosting evaluations used tree learners (Seiffert
et al., 2008; Breiman, 1996), inherited from the
MATLAB<sup>®</sup> libraries.</p>
      <p id="d1e1203">The main differences between bragging and boosting are as follows. Bragging
generates a set of simple models: first, it trains these models with the random
sample and evaluates the classification performance of each model using the
test subset of data. In the second step, only those models whose
classification performance was low are retrained. The final predictive
performance rate of the bragging classifier is an average of individual
model performance. This approach minimizes the variance in the
prediction, meaning if several bragging classifiers are generated from the
same sample of data, their prediction capability, when exposed to the
unknown dataset, will not differ much. The main difference between boosting and bragging is that bragging retrains selected models (high misclassification
rate) with the complete training dataset until their respective accuracy
increases, whereas in boosting, the size of the data which have been
misclassified increases in ratio to the data which have been accurately
classified – and thereafter all the models are retrained sequentially. The
predictive performance is calculated the same way as in bragging by averaging the
predictive performance rate of the individual models. This approach of
boosting minimizes the bias in the prediction.</p>
</sec>
</sec>
<sec id="Ch1.S2.SS3">
  <label>2.3</label><title>Performance</title>
      <p id="d1e1215">It is necessary to monitor the performance of an ML model. This ensures that
the trained model does not overfit or underfit with the training dataset.
The main reason for overfitting and underfitting of the model with the
training dataset is directly proportional to the complexity of the ML
models. However, the consequence is that an overfitted trained ML model will
capture noise along with the information pattern from the training dataset
and will lose its ability to generalize, hence leading to inaccurate
classification when exposed to the unknown dataset, as it has high variance
toward the training dataset. On the opposite side, when the ML model is
underfitted with the training dataset, it is unable to learn or capture the
essence of the training dataset; this can happen either due to a choice of a
simple type model (e.g. linear instead of quadratic) or very little
data to build a reliable model. As a consequence, the ML fails to predict as
it has low variance towards the training dataset (Dietterich, 1998). So, the
performance of the ML model (low variance and low bias) is an indication of
how accurately it can predict. The above explanation is valid for supervised
ML techniques. For<?pagebreak page320?> unsupervised clustering techniques where there is no
model available to train, the quality of the classification is judged from
the classified result. One such commonly used metric is entropy (Stehl,
2002; Meilǎ, 2003; Amigó et al., 2009). In CobWeb, the performance of
the ML models and the quality of the classification can be evaluated using
10-fold cross validation, entropy and ROC. The explanation of these methods is briefly described in the
subsection below. For detailed information, the readers are referred to Stehl (2002), Dietterich (1998), Bradley (1997), and references therein.</p>
<sec id="Ch1.S2.SS3.SSS1">
  <label>2.3.1</label><?xmltex \opttitle{The $k$-fold cross validation}?><title>The <inline-formula><mml:math id="M41" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-fold cross validation</title>
      <p id="d1e1233">The idea for <inline-formula><mml:math id="M42" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-fold cross validation was first recommended by Larson (1931).
<inline-formula><mml:math id="M43" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-fold cross validation is a performance evaluation technique which checks
the overfitting and underfitting of the ML model. In the <inline-formula><mml:math id="M44" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-fold technique,
the training data are divided into <inline-formula><mml:math id="M45" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> partitions. Thereafter, the ML model is
trained with <inline-formula><mml:math id="M46" display="inline"><mml:mrow><mml:mi>k</mml:mi><mml:mo>-</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow></mml:math></inline-formula> partition of data and tested on a withheld <inline-formula><mml:math id="M47" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>th subset
of data that has not been used for training. This process is repeated
<inline-formula><mml:math id="M48" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> times; through this, each data point in the training dataset gets to be
tested at least once and is used for training <inline-formula><mml:math id="M49" display="inline"><mml:mrow><mml:mi>k</mml:mi><mml:mo>-</mml:mo><mml:mn mathvariant="normal">1</mml:mn></mml:mrow></mml:math></inline-formula> times. As it can be
seen, this approach should significantly reduce the overfitting (low
variance), as most of the data are used for testing and underfitting (low
bias), as almost all the data are used for training. Based on empirical
evidence, <inline-formula><mml:math id="M50" display="inline"><mml:mrow><mml:mi>k</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">10</mml:mn></mml:mrow></mml:math></inline-formula> is preferred.</p>
</sec>
<sec id="Ch1.S2.SS3.SSS2">
  <label>2.3.2</label><title>Entropy</title>
      <p id="d1e1323">The entropy of a class reflects how the members of the <inline-formula><mml:math id="M51" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> pixels are
distributed within each class; the global quality measure is by averaging
the entropy of all classes.
              <disp-formula id="Ch1.E8" content-type="numbered"><label>8</label><mml:math id="M52" display="block"><mml:mrow><mml:mtext>Entropy</mml:mtext><mml:mo>=</mml:mo><mml:mo>-</mml:mo><mml:munder><mml:mo movablelimits="false">∑</mml:mo><mml:mi>j</mml:mi></mml:munder><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msub><mml:mi>n</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:mrow><mml:mi>n</mml:mi></mml:mfrac></mml:mstyle><mml:munder><mml:mo movablelimits="false">∑</mml:mo><mml:mi>i</mml:mi></mml:munder><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo><mml:mo>×</mml:mo><mml:msub><mml:mi>log⁡</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msub><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
            where <inline-formula><mml:math id="M53" display="inline"><mml:mrow><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is the probability of finding an item from the
category <inline-formula><mml:math id="M54" display="inline"><mml:mi>i</mml:mi></mml:math></inline-formula> in the class <inline-formula><mml:math id="M55" display="inline"><mml:mi>j</mml:mi></mml:math></inline-formula>, where <inline-formula><mml:math id="M56" display="inline"><mml:mrow><mml:msub><mml:mi>n</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> is the number of items in class <inline-formula><mml:math id="M57" display="inline"><mml:mi>j</mml:mi></mml:math></inline-formula>, and <inline-formula><mml:math id="M58" display="inline"><mml:mi>n</mml:mi></mml:math></inline-formula> is the total number of items in the distribution.</p>
</sec>
<sec id="Ch1.S2.SS3.SSS3">
  <label>2.3.3</label><title>Receiver operational characteristics</title>
      <p id="d1e1465">ROC curves are one of the popular
methods to cross validate ML model performance (probability of models'
correct response <inline-formula><mml:math id="M59" display="inline"><mml:mrow><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>C</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> to the predicted result) (Bradley, 1997). It has three variables:

                  <disp-formula specific-use="align" content-type="numbered"><mml:math id="M60" display="block"><mml:mtable displaystyle="true"><mml:mlabeledtr id="Ch1.E9"><mml:mtd><mml:mtext>9</mml:mtext></mml:mtd><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle displaystyle="true" class="stylechange"/><mml:mtext>Accuracy</mml:mtext><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:mtext>Error</mml:mtext><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mtext>p</mml:mtext></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mi>C</mml:mi><mml:mtext>p</mml:mtext></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>C</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>=</mml:mo><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>C</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr><mml:mlabeledtr id="Ch1.E10"><mml:mtd><mml:mtext>10</mml:mtext></mml:mtd><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mtext>Sensitivity</mml:mtext><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:mi mathvariant="italic">β</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mtext>p</mml:mtext></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mi>C</mml:mi><mml:mtext>p</mml:mtext></mml:msub></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>=</mml:mo><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mtext>p</mml:mtext></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr><mml:mlabeledtr id="Ch1.E11"><mml:mtd><mml:mtext>11</mml:mtext></mml:mtd><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mtext>Specificity</mml:mtext><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:mi mathvariant="italic">α</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mi>C</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>=</mml:mo><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:mi>n</mml:mi><mml:mo>)</mml:mo><mml:mo>,</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr></mml:mtable></mml:math></disp-formula>

              where <inline-formula><mml:math id="M61" display="inline"><mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mtext>p</mml:mtext></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M62" display="inline"><mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow></mml:math></inline-formula>  are the true positive and true negative
examples, and <inline-formula><mml:math id="M63" display="inline"><mml:mrow><mml:msub><mml:mi>C</mml:mi><mml:mtext>p</mml:mtext></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M64" display="inline"><mml:mrow><mml:msub><mml:mi>C</mml:mi><mml:mtext>n</mml:mtext></mml:msub></mml:mrow></mml:math></inline-formula> are the total number of true positive and true negative examples obtained from the training dataset.
              <disp-formula id="Ch1.Ex1"><mml:math id="M65" display="block"><mml:mrow><mml:mtext>Probability of false positive is</mml:mtext><mml:mspace linebreak="nobreak" width="0.25em"/><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>F</mml:mi><mml:mtext>p</mml:mtext></mml:msub><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mi mathvariant="italic">α</mml:mi></mml:mrow></mml:math></disp-formula>

              <disp-formula id="Ch1.Ex2"><mml:math id="M66" display="block"><mml:mrow><mml:mtext>Probability of true positive is</mml:mtext><mml:mspace linebreak="nobreak" width="0.25em"/><mml:mi>P</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mtext>p</mml:mtext></mml:msub><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:mi mathvariant="italic">β</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></disp-formula></p>
      <p id="d1e1752">The accuracy is determined by calculating the area under the curve (AUC), and
the simplest way to do this was by using trapezoidal approximation.
              <disp-formula id="Ch1.E12" content-type="numbered"><label>12</label><mml:math id="M67" display="block"><mml:mrow><mml:mtext>AUC</mml:mtext><mml:mo>=</mml:mo><mml:munder><mml:mo movablelimits="false">∑</mml:mo><mml:mi>i</mml:mi></mml:munder><mml:mfenced open="{" close="}"><mml:mrow><mml:mfenced open="(" close=")"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="italic">β</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>⋅</mml:mo><mml:mi mathvariant="normal">Δ</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:mrow></mml:mfenced><mml:mo>+</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mn mathvariant="normal">1</mml:mn><mml:mn mathvariant="normal">2</mml:mn></mml:mfrac></mml:mstyle><mml:mfenced open="(" close=")"><mml:mrow><mml:mi mathvariant="normal">Δ</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:mi mathvariant="italic">β</mml:mi></mml:mrow></mml:mfenced><mml:mo>⋅</mml:mo><mml:mi mathvariant="normal">Δ</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:mrow></mml:mfenced></mml:mrow></mml:mfenced></mml:mrow></mml:math></disp-formula></p>

      <?xmltex \floatpos{p}?><fig id="Ch1.F2" specific-use="star"><?xmltex \currentcnt{2}?><label>Figure 2</label><caption><p id="d1e1816">Snapshots of the CobWeb GUI. XCT stack of Grosmont carbonate rock
is shown as an example of representative elementary volume analysis. The
top panel displays the XCT raw sample, the <inline-formula><mml:math id="M68" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means segmented region
of interest (ROI) and the
porosity of single slice no. 10. The bottom plot shows pore size
distribution of the complete REV stack, the relative porosity and volume
fraction, respectively.</p></caption>
            <?xmltex \igopts{width=497.923228pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f02.png"/>

          </fig>

</sec>
</sec>
</sec>
<sec id="Ch1.S3">
  <label>3</label><title>Toolbox and functionalities – CobWeb key features</title>
<sec id="Ch1.S3.SS1">
  <label>3.1</label><title>The graphical user interface</title>
      <p id="d1e1850">The first version of CobWeb offers the possibility to read and to process
reconstructed XCT files in both .tiff and .raw formats. The graphical user
interface (GUI) is embedded with visual inspection tools to zoom in/out,
crop, colour and scale to assist in the visualization and
interpretation of 2-D and 3-D stack data. Noise filters such as non-local
means, anisotropic diffusion, median and contrast adjustments are
implemented to increase the signal-to-noise ratio. The user has a choice of
five different segmentation algorithms, namely <inline-formula><mml:math id="M69" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means, fuzzy <inline-formula><mml:math id="M70" display="inline"><mml:mi>c</mml:mi></mml:math></inline-formula> means
(unsupervised), LSSVM (supervised),
bragging and boosting (ensemble classifiers) for accurate automatic
segmentation and cross validation. Relevant material properties like
relative porosities, pore size distribution trends, volume fraction (3-D
pore, matrix, mineral phases) can be quantified and visualized as graphical
output. The data can be exported to different file formats such as
Microsoft<sup>®</sup> Excel (.xlsx), MATLAB<sup>®</sup> (.mat),
ParaView (.vkt) and DSI Studio (.fib). The current version is supported for
Microsoft<sup>®</sup> Windows PC operating systems (Windows 7 and 10).</p>
      <?pagebreak page322?><p id="d1e1876">The main GUI window panel is divided into three main parts (Fig. 2): the tool
menu strip, the inspector panel and the visualization panel. The tool strip
contains menus to zoom in and out, pan, rotate, point selection, colour
bar, legend bar and measurement scale functionalities. The inspector panel
is divided into subpanels where the user can configure the initial process
settings such as segmentation schemes (supervised, unsupervised, ensemble
classifiers), filters (contrast, non-local means, anisotropic filter, <italic>fspecial</italic>) and distance functions (link
distance, Manhattan distance, box distance) to assist segmentation and
geometrical parameter selection for image analysis (REV, porosity, pore size
distribution (PSD), volume fraction). The display subpanel <italic>records</italic>, displays the 2-D
video of the XCT stack and the respective histogram. The history subpanel is a
<italic>uilistbox</italic> that displays errors, processing time/status, processing instruction, files
generated/exported and executed callbacks. The control subpanel is an assemblage
of <italic>uibuttons</italic> to initialize the XCT data analysis process and the progress bar.
The visualization panel is where the results are displayed in several resized
windows, which can be moved, saved or deleted. The pan windows displayed
inside the visualization module are embedded with <italic>uimenu</italic> and <italic>submenu</italic> to export, plot and
calculate different variables like porosity, PSD, volume fraction, entropy,
or receiver operational characteristics. To get the desired user
functionalities, MATLAB<sup>®</sup> internal user-interface
libraries were inadequate. Therefore, numerous specific adaptations are
adopted from Yair Altman's undocumented MATLAB<sup>®</sup>
website and the MATLAB<sup>®</sup> file exchange
community. Specifically, the GUI layout toolbox of David Sampson is used to
configure the CobWeb GUI layout; the pre-processing <italic>uitable</italic> uses the
MATLAB<sup>®</sup> java component; it was designed using
the <italic>uitable</italic> customization report provided by Altman (2014).</p>
      <p id="d1e1917">As a stand-alone module, the CobWeb GUI can be executed on different PC and HPC
clusters without any license issues. The framework of CobWeb 1.0 is
schematically illustrated in Fig. 3, and the direction for the arrow (left
to right) represents the series in which the various functions are executed.
The back-end architecture can be broadly classified into three different
categories, namely the
<list list-type="bullet"><list-item>
      <p id="d1e1922">control module,</p></list-item><list-item>
      <p id="d1e1926">analysis module and</p></list-item><list-item>
      <p id="d1e1930">visualization module.</p></list-item></list></p>
<sec id="Ch1.S3.SS1.SSS1">
  <label>3.1.1</label><title>Control module</title>
      <p id="d1e1940">Initially, the main figure panel is generated, followed by the tool strip
dividing the main figure into different panels and subpanels as shown in
Fig. 2. After that, the control buttons <italic>Load</italic>, <italic>Start</italic>, <italic>Stop</italic>, <italic>Volume Rendering</italic> and <italic>Clear</italic> are created and initialized, and
the relevant information is appended in the main structure. Ideally, at this
point, any button can be triggered or activated. However, upon doing so, an
exception will be displayed in the history subpanel, indicating the next
arbitrary steps. These are to first load the data by pressing the <italic>Load</italic> button,
where the <italic>Load</italic> function checks the file properties, loads the data in .tiff and
.raw formats, creates and displays 2-D video of the selected stack, saves the
video file in the current folder and updates the respective variables to
the main structure. The <italic>Stop</italic> button (<italic>Stop</italic> function) ends the execution. However,
when the processing is inside a loop, the <italic>Stop</italic> function can break the loop only
after the <inline-formula><mml:math id="M71" display="inline"><mml:mi>i</mml:mi></mml:math></inline-formula>th iteration. The <italic>Clear</italic> button (<italic>Clear</italic> function) deletes the data and
clears all the variables in the main structure, resetting the graphical
window.</p>
</sec>
<sec id="Ch1.S3.SS1.SSS2">
  <label>3.1.2</label><title>Analysis module</title>
      <p id="d1e1997">The next step is data processing, triggered by pressing the <italic>Start</italic> button, which
activates the <italic>Start</italic> function. The <italic>Start</italic> function concatenates the entire analysis
procedure and is shown as <italic>Start()</italic> in Fig. 3. The <italic>Start()</italic> function is a densely
nested loop; the bullet points and the sub-bullet points shown in Fig. 3
symbolize the outer and the inner nested loops. Initially, the data are
gathered, and a sanity check is performed to evaluate if the user selected
the relevant checkboxes and respective sub-options in the pre-processing
<italic>uitable</italic>. If the checkboxes are not selected, an exception alert is displayed in the <italic>History</italic> panel, highlighting the error and suggesting the next possible action. The
next loop is the image modification loop, where the user inputs are
required. These inputs are desired classes for segmentation, the image
resolution and the representative slice number. Thereafter, the
representative slice is displayed on a resizable pan window inside the
visualization panel shown in Fig. 2. Further, an option to select a region
of interest (ROI) is proposed, which can be accepted or rejected. If
accepted, a REV is cropped from the 3-D image stack based on user-defined ROI
dimensions. Upon rejection, the complete 3-D stack is prepared for processing.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F3"><?xmltex \currentcnt{3}?><label>Figure 3</label><caption><p id="d1e2024">The general workflow of the CobWeb software tool, where the arrow
denotes the series in which different modules (represented in dark blue
boxes) are compiled and executed. A separate file script is used to generate
.dll binaries and executables.</p></caption>
            <?xmltex \igopts{width=236.157874pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f03.png"/>

          </fig>

      <p id="d1e2033">The next step is the segmentation process; an unsupervised or supervised
algorithm is initialized based on the selection made by the user in the
pre-processing <italic>uitable</italic>. Hereafter, the programming logic implemented at the data access layer (also known as back-end) for unsupervised and supervised segmentation schemes is briefly explained. It is an easy one-step process
in the case of unsupervised techniques; i.e. based on the options selected in
the pre-processing <italic>uitable</italic>, the image is filtered and subsequently, segmented. But,
for an unsupervised segmentation technique, FCM, additional
user input is required. A positive decimal number <inline-formula><mml:math id="M72" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula>, where <inline-formula><mml:math id="M73" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula> is equal to <inline-formula><mml:math id="M74" display="inline"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>≤</mml:mo><mml:mi>x</mml:mi><mml:mo>≥</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:mrow></mml:math></inline-formula> is used to set the membership criteria; when pixel values of different
phases (e.g. Rotliegend sandstone, Grosmont carbonate rock) are in close
proximity to or subsets of each other, FCM uses the membership criteria to
constrain the segmentation “loosely” or “tightly” with the purpose to
segregate different phases (Chauhan et al., 2016b). In the case of
supervised segmentation schemes (LSSVM, bragging and boosting), a priori
information, also known as feature vector dataset or training dataset, is
required to train the model(s) (Chauhan et al., 2016a, b), and consequently, the trained model is ready to classify the rest of
the dataset. The following five steps accomplish this procedure:
<list list-type="bullet"><list-item>
      <p id="d1e2075">First, the visualization panel displays a single 2-D slice of the REV or 3-D image stack in a resizable pan window. The embedded <italic>uimenu</italic> in the pan window offers to use the <italic>subuimenu</italic> options to feature vector selection, training and testing.</p></list-item><list-item>
      <p id="d1e2085">Second, by pressing the <italic>subuimenu</italic> option <italic>Pixel Selection</italic>, the feature vector (FV) selection  performs an operation. The <italic>Pixel Selection</italic> callback function initializes the subroutine <italic>uPixelSel()</italic>, which sequentially displays a <italic>uitable</italic> in a resizable pan window. The <italic>uitable</italic> contains columns <italic>Features</italic>, <italic>X-Coordinate</italic> and <italic>Y-Coordinate</italic>, which are, for example, the pixel coordinates of the pore, matrix,
minerals and noise/speaks. This is a mandatory step to build the training
dataset. The user enters this information in the respective columns of the
<italic>uitable</italic>.</p></list-item><list-item>
      <p id="d1e2120">In the third step, the user has to identify features, such as pores,
minerals, matrix and noise/specks, in the 2-D image using zoom-in and zoom-out tools available in the toolbar. The <inline-formula><mml:math id="M75" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula> coordinates and <inline-formula><mml:math id="M76" display="inline"><mml:mi>y</mml:mi></mml:math></inline-formula> coordinates of the
identified features need to be extracted using the data cursor tool, also
available in the toolbar. If satisfied, the user can enter the features and
the corresponding <inline-formula><mml:math id="M77" display="inline"><mml:mrow><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mspace linebreak="nobreak" width="0.25em"/><mml:mi>y</mml:mi></mml:mrow></mml:math></inline-formula> coordinates in the <italic>Pixel Selection</italic> <italic>uitable</italic>.</p></list-item><list-item>
      <p id="d1e2157">In the fourth step, the data are gathered and exported for training. This is done by pressing the export button placed on the <italic>uitable</italic> pan window, which
initiates the subroutine <italic>uExportTable()</italic>. The export subroutine collects a total of 36 (<inline-formula><mml:math id="M78" display="inline"><mml:mrow><mml:mn mathvariant="normal">6</mml:mn><mml:mo>×</mml:mo><mml:mn mathvariant="normal">6</mml:mn></mml:mrow></mml:math></inline-formula>) pixel values in the perimeter of the user-specified <inline-formula><mml:math id="M79" display="inline"><mml:mrow><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mspace linebreak="nobreak" width="0.25em"/><mml:mi>y</mml:mi></mml:mrow></mml:math></inline-formula> coordinates in the <italic>uitable</italic>.</p></list-item><list-item>
      <p id="d1e2195">In the fifth step, the model is trained. This is done by using the
<italic>subuimenu</italic> in the 2-D pan window. As and when the <italic>training</italic> is finished, a notification appears
on the <italic>History</italic> panel. Thereafter, by pressing the <italic>testing</italic> option in the <italic>subuimenu</italic>, the complete REV or
3-D stack can be segmented.</p></list-item></list></p>
      <p id="d1e2214">A progress bar offers to monitor the state of the process. Further, the
<italic>History</italic> window displays information related to processing time, implemented image filters and the segmentation scheme. Finally, all relevant information and
the segmented data are appended to the main structure.</p>
</sec>
<?pagebreak page323?><sec id="Ch1.S3.SS1.SSS3">
  <label>3.1.3</label><title>Visualization module</title>
      <p id="d1e2228">Once the processing is finished, the segmented data can be visualized in the
2-D format using <italic>Plot</italic> button or in a 3-D rendered stack using <italic>VolRender</italic> button. Figure 3 depicts the nested loop structure of the <italic>Plot()</italic> and <italic>VolRender()</italic> callback functions. Upon
initialization, the <italic>Plot()</italic> callback accesses the main structure and plots the segmented 2-D image of the segmented slice consecutively in a resizable pan window in the visualization panel. The displayed pan window is embedded with a <italic>uimenu</italic> and corresponding <italic>subuimenu</italic>. The <italic>uimenu</italic> items and the <italic>subuimenu</italic> options are
<list list-type="bullet"><list-item>
      <p id="d1e2261">geometrical parameters <inline-formula><mml:math id="M80" display="inline"><mml:mo>→</mml:mo></mml:math></inline-formula> porosity, pore size distribution, volume fraction;</p></list-item><list-item>
      <p id="d1e2272">performance <inline-formula><mml:math id="M81" display="inline"><mml:mo>→</mml:mo></mml:math></inline-formula> entropy, ROC, 10-fold cross validation;</p></list-item><list-item>
      <p id="d1e2283">export stack <inline-formula><mml:math id="M82" display="inline"><mml:mo>→</mml:mo></mml:math></inline-formula> ParaView, raw.</p></list-item></list></p>
      <p id="d1e2293">The methods used to calculate geometrical parameters and validation schemes
are benchmarked in Chauhan et al. (2016a, b).
Therefore, the selection of desired options initializes respective
subroutines (<italic>uPoreSzVol, uCalVal, uExport</italic>) and plots the results, as shown in
Fig. 2. If required, the export of these parameters (porosity, PSD, volume
fraction, entropy, ROC; 10-fold cross validation) is possible to Excel,
ASCII or MATLAB<sup>®</sup> for further statistical
analysis. Using the <italic>Export Stack</italic> item, the export of the 3-D segmented volume to ParaView
(.vtk files) or as .raw format files is feasible for the purpose of
visualization or digital rock physics (DRP) analysis. The volume-rendering functionalities of
CobWeb 1.0 are simple in comparison to those of ParaView or DSI Studio. The <italic>VolRender()</italic> function
renders the 3-D dataset using an orthogonal plane 2-D texture mapping technique
(Heckbert, 1986) and is best suited for OpenGL hardware. The user has the
option to render the 3-D stack in the original resolution or at lower
resolution; the lower resolution enhances the plotting speed but degrades
the image quality 10-fold. Due to this, we recommend to export the 3-D
stack to ParaView or DSI Studio for visualization. This concludes the
description of the  toolbox and functionalities section. For more information
on the usage of the graphical user interface, the user manual can be
consulted, which is available as supporting information.</p>
      <p id="d1e2308">In the following sections, the CobWeb toolbox is demonstrated by means of
three showcase examples, which are briefly introduced in terms of underlying
imaging settings, research question and challenges for image processing.</p>
</sec>
</sec>
</sec>
<?pagebreak page324?><sec id="Ch1.S4">
  <label>4</label><title>Materials and methods</title>
<sec id="Ch1.S4.SS1">
  <label>4.1</label><title>GH-bearing sediment</title>
      <p id="d1e2328">The in situ synchrotron-based tomography experiment and post-processing of
synchrotron data conducted to resolve the microstructure of GH-bearing  sediments are given in detail by Chaouachi et al. (2015), Falenty et al. (2015) and Sell et al. (2016). In brief, the
tomographic scans were acquired with a monochromatic X-ray beam energy of
21.9 KeV at the Swiss Light Source (SLS) synchrotron facility
(Paul-Scherrer-Institute, Villigen, Switzerland) using the TOMCAT beamline
(Tomographic Microscope and Coherent Radiology Experiment; Stampanoni et al.
2006). Each tomogram was reconstructed from sinograms by using the gridded
Fourier transformation algorithm (Marone und Stampanoni, 2012). Later, a 3-D
stack of <inline-formula><mml:math id="M83" display="inline"><mml:mrow><mml:mn mathvariant="normal">2560</mml:mn><mml:mo>×</mml:mo><mml:mn mathvariant="normal">2560</mml:mn><mml:mo>×</mml:mo><mml:mn mathvariant="normal">2160</mml:mn></mml:mrow></mml:math></inline-formula> voxels (volume pixels) was generated, resulting
in a voxel resolution of 0.74 and 0.38 <inline-formula><mml:math id="M84" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m at 10-fold and
20-fold optical magnification.</p>
<sec id="Ch1.S4.SS1.SSS1">
  <label>4.1.1</label><title>Dual filtration of GH-bearing sediment</title>
      <p id="d1e2362">The ED artefact is the high and low image contrast seen between the edges
of the void, quartz and GH phases in the GH tomograms. It certainly aids
in clear visual distinction of these phases but becomes a nuisance during
the segmentation process. Several approaches to reduce ED artefact in GH
tomograms and its effect on segmentation and numerical simulation have been
discussed in Sell et al. (2016). Based on our experience, a combination of
the NLM filter and the AD filter,
implemented using Avizo (Thermo Scientific), works best in removing ED
artefacts for our GH data. In short, AD was used for edge preservation and
NLM for denoising. In this study, the NLM filter was set to a search window
of 21, local neighbourhood of 6 and a similarity value of 0.71. The NLM
filter was implemented in 3-D mode to attain desired spatial and temporal
accuracy and was processed on a CPU device.</p>
</sec>
<sec id="Ch1.S4.SS1.SSS2">
  <label>4.1.2</label><title>GH-bearing sediment dual clustering</title>
      <p id="d1e2373">The edge enhancement effect was significant in all the reconstructed slices
of the GH dataset. The ED effect was noticeable around the quartz grains,
with high and low pixel intensities adjacent to each other. The
high-intensity pixel values (EDH) were very close to GH pixel values, while
the low-intensity pixel values (EDL) showed a variance between noise and
void phase pixel values. Therefore, immediate segmentation performed on the
pre-filtered GH datasets using CobWeb 1.0 resulted in misclassification.
Further parameterizing and tuning the unsupervised (<inline-formula><mml:math id="M85" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means) and supervised
(LSSVM) modules of CobWeb 1.0 specifically, distance function (i.e.
functions Euclidean distance <italic>sqeuclidean</italic>, sum of absolute differences <italic>cityblock</italic> and <italic>mandist</italic>) and
different permutation and combination of kernel type, bandwidth and
cross-validation parameters, showed significant improvement, but the
segmentation was still not optimal. The aim was to eliminate the ED features
completely without altering the phase distribution between GH and the void.
This prompted to develop a GH-specific workflow, as explained below. The
Supplement provides the MATLAB<sup>®</sup> script for this
workflow, which is comprised of five steps:
<list list-type="bullet"><list-item>
      <p id="d1e2398"><italic>Step 1: filtering and REV selection.</italic>
Four REVs of size <inline-formula><mml:math id="M86" display="inline"><mml:mrow><mml:mn mathvariant="normal">4</mml:mn><mml:mo>×</mml:mo><mml:msup><mml:mn mathvariant="normal">700</mml:mn><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula> were cropped from the raw (16-bit)
data stack. These REVs were dual filtered using AD and NLM filters (see
Sect. 4.1.1). Figure 5 depicts a 2-D dual-filtered image from REV1. In this
study, the NLM filter was set to a search window of 21, local neighbourhood
of 6 and a similarity value of 0.71. The NLM filter was implemented in 3-D
mode to attain desired spatial and temporal accuracy and was processed on a
CPU device.</p></list-item><list-item>
      <p id="d1e2419"><italic>Step 2: k-means clustering.</italic>
After dual filtration (step 1), it was essential to segregate the noise,
edge enhancement effects and different phases into labels of various
classes. This was accomplished by <inline-formula><mml:math id="M87" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means segmentation. In order to capture
all the phases accurately along with noise and ED affects, a segmentation
process with up to 20 class labels was needed and performed. As a result,
class 7 captured all the desired phases (noise, edge enhancement low
intensities (EDL), void, quartz and edge enhancement high intensities (EDH),
GH).</p></list-item><list-item>
      <p id="d1e2432"><italic>Step 3: indexing.</italic>
In the next step, the purpose was to retrieve pixel values of various phases
from the dual-filtered REV stacks. The indexing scheme is the following:
<list list-type="bullet"><list-item>
      <p id="d1e2439">First, through visual inspection of the segmented image (step 2), different phases and their corresponding labels were identified, shown in Table 1.</p></list-item><list-item>
      <p id="d1e2443">Thereafter, pixel indices of these phases were extracted from the
segmented image based on their labels.</p></list-item><list-item>
      <p id="d1e2447">Further, these indices were used as a reference mask to retrieve pixel
values of the phases from the 16-bit raw REV stacks.</p></list-item></list>
The obtained pixel values represent noise, void (liquid), EDL, quartz, EDH,
and GH phases in the raw images. Then, the histogram distribution of the
pixel values in each phase was plotted. The skewness of the histograms was
investigated where the max, min, mean and standard deviation for each of
the histograms were calculated. Thereafter, the max and min of the histograms
were compared, and the indexing limits were adjusted, as long as there
was no overlap found amidst the histogram boundaries.</p></list-item><list-item>
      <p id="d1e2452"><italic>Step 4: rescaling raw REV.</italic>
In this step, the raw pixel values of the respective phases, i.e. void,
quartz and<?pagebreak page325?> GH, were replaced by their mean values, with an exception for
EDH pixel values. The latter (EDH pixels) were replaced with the mean value
of quartz. These assignments led to optimal segregation of the phase
boundaries in the raw dataset and finally to the elimination of the ED
effect.</p></list-item><list-item>
      <p id="d1e2458"><italic>Step 5: k-means clustering.</italic>
Finally, the rescaled raw REV was segmented into three class labels using
<inline-formula><mml:math id="M88" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means segmentation to obtain the final result.</p></list-item></list></p>

<?xmltex \floatpos{t}?><table-wrap id="Ch1.T1"><?xmltex \currentcnt{1}?><label>Table 1</label><caption><p id="d1e2473">Class labels of different phases.</p></caption><oasis:table frame="topbot"><oasis:tgroup cols="2">
     <oasis:colspec colnum="1" colname="col1" align="left"/>
     <oasis:colspec colnum="2" colname="col2" align="left"/>
     <oasis:thead>
       <oasis:row rowsep="1">
         <oasis:entry colname="col1">Labels</oasis:entry>
         <oasis:entry colname="col2">Phases</oasis:entry>
       </oasis:row>
     </oasis:thead>
     <oasis:tbody>
       <oasis:row>
         <oasis:entry colname="col1">0</oasis:entry>
         <oasis:entry colname="col2">Noise</oasis:entry>
       </oasis:row>
       <oasis:row>
         <oasis:entry colname="col1">1 and 3</oasis:entry>
         <oasis:entry colname="col2">Void (liquid)</oasis:entry>
       </oasis:row>
       <oasis:row>
         <oasis:entry colname="col1">2</oasis:entry>
         <oasis:entry colname="col2">Edge enhancement low intensities (EDL)</oasis:entry>
       </oasis:row>
       <oasis:row>
         <oasis:entry colname="col1">4</oasis:entry>
         <oasis:entry colname="col2">Quartz</oasis:entry>
       </oasis:row>
       <oasis:row>
         <oasis:entry colname="col1">5</oasis:entry>
         <oasis:entry colname="col2">Edge enhancement high intensities (EDH)</oasis:entry>
       </oasis:row>
       <oasis:row>
         <oasis:entry colname="col1">6 and 7</oasis:entry>
         <oasis:entry colname="col2">Gas hydrate</oasis:entry>
       </oasis:row>
     </oasis:tbody>
   </oasis:tgroup></oasis:table></table-wrap>

</sec>
</sec>
<sec id="Ch1.S4.SS2">
  <label>4.2</label><title>Grosmont carbonate rock</title>
      <p id="d1e2564">The digital rock images of the Grosmont carbonate rock were obtained from
the FTP server GitHub (<uri>http://github.com/cageo/Krzikalla-2012</uri>, last access: 24 January 2020) used in the
benchmark study published by Andrä et al. (2013a, b). Grosmont
carbonate rock was acquired from Grosmont Formation in Alberta, Canada. The
Grosmont Formation was deposited during the upper Devonian and is divided into
four facies members: LG UG-1, UG-2, and UG-3 (bottom to top). The sample was
taken from UG-2 facies and is mostly composed of dolomite and karst breccia
(Machel and Hunter, 1994; Buschkuehle et al., 2007). Laboratory measurements
of porosity and permeability reported by Andrä et al. (2013b) are
around 21 % (<inline-formula><mml:math id="M89" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">0.21</mml:mn></mml:mrow></mml:math></inline-formula>) and <inline-formula><mml:math id="M90" display="inline"><mml:mrow><mml:mi mathvariant="italic">κ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">150</mml:mn></mml:mrow></mml:math></inline-formula>–470 mD, respectively. The Grosmont carbonate dataset was measured at the
high-resolution X-ray computed tomographic facility of the University of
Texas with an Xradia MicroXCT-400 instruments (ZEISS, Jena, Germany). The
measurement was performed using <inline-formula><mml:math id="M91" display="inline"><mml:mrow><mml:mn mathvariant="normal">4</mml:mn><mml:mo>×</mml:mo></mml:mrow></mml:math></inline-formula> objective lenses, 70 kV polychromatic X-ray beam energy and a 25 mm  charge coupled device (CCD) detector. The tomographic images were reconstructed from the sinograms using proprietary software and corrected for the beam hardening effect, which is typical for lab-based polychromatic
cone-beam X-ray instruments (Jovanović et al., 2013). The retrieved
image volume was cropped to a dimension of 1024<inline-formula><mml:math id="M92" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> with a voxel size of
2.02 <inline-formula><mml:math id="M93" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m.</p>
</sec>
<sec id="Ch1.S4.SS3">
  <label>4.3</label><title>Berea sandstone rock</title>
      <p id="d1e2630">The Berea sandstone digital rock images were part of a benchmark project
published by Andrä et al. (2013a, b) and obtained from the GitHub FTP
server. The Berea sandstone sample plug was acquired from Berea
Sandstone™ petroleum cores (Ohio, USA). The porosity value of
20 % (<inline-formula><mml:math id="M94" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">0.20</mml:mn></mml:mrow></mml:math></inline-formula>) was obtained using a helium pycnometer
AccuPyc™ 1330 (Micromeritics Instrument Corp., Germany) and a
Pascal mercury porosimeter (Thermo Scientific™) as described in Giesche (2006). The permeability ranges between <inline-formula><mml:math id="M95" display="inline"><mml:mrow><mml:mi mathvariant="italic">κ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">200</mml:mn></mml:mrow></mml:math></inline-formula> mD and
<inline-formula><mml:math id="M96" display="inline"><mml:mrow><mml:mi mathvariant="italic">κ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">500</mml:mn></mml:mrow></mml:math></inline-formula> mD, as reported by Andrä et al. (2013b). Machel and
Hunter (1994) identified minerals using a polarized optical microscope and a
scanning electron microscope, and reported a mineral composition of ankerite,
zircon, k-feldspar, quartz, and clay in the Berea sandstone sample. The
synchrotron tomographic scans of Berea sandstone were also obtained at the
SLS TOMCAT beamline. The beam energy was monochromatized to 26 keV for
optimal contrast, with an exposure time of 500 ms. This resulted in a 3-D
tomographic stack with a dimension of 1024<inline-formula><mml:math id="M97" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> voxels with a voxel size of
0.74 <inline-formula><mml:math id="M98" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m.</p>
</sec>
</sec>
<sec id="Ch1.S5">
  <label>5</label><title>Result and discussions</title>
<sec id="Ch1.S5.SS1">
  <label>5.1</label><title>Data selection</title>
      <p id="d1e2702">The REV selection basically was a
combination of visual inspection and consecutively segmenting and plotting
trends in relative porosity, pore size distribution and volume fraction.
This was done by loading the complete stack in the CobWeb software; during
the loading process, a 2-D movie of the tomogram was displayed in the display
window and saved in the root folder. Carefully monitoring the movie gives an
objective evaluation of the heterogeneity of the respective XCT sample. We
observed several subsample volumes at various locations (<inline-formula><mml:math id="M99" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula>, <inline-formula><mml:math id="M100" display="inline"><mml:mi>y</mml:mi></mml:math></inline-formula>) and depth
(<inline-formula><mml:math id="M101" display="inline"><mml:mi>z</mml:mi></mml:math></inline-formula>) inside the XCT tomograms. Thereafter, based on a subjective visual
consensus, different ROIs were selected, cropped and segmented, and their
respective geometrical parameters were intercompared. The main indicator,
however, was the porosity trend; i.e. when the regression coefficient (<inline-formula><mml:math id="M102" display="inline"><mml:mrow><mml:msup><mml:mi>R</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula>) value
was close to zero, it was an indicator that its subvolume has accumulated
the heterogeneity along the <inline-formula><mml:math id="M103" display="inline"><mml:mi>z</mml:mi></mml:math></inline-formula> axis of the sample. Therefore, based on the
trend analysis approach, the subvolume dimension where the <inline-formula><mml:math id="M104" display="inline"><mml:mrow><mml:msup><mml:mi>R</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula> value was
close to zero was chosen as the suitable REV.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F4" specific-use="star"><?xmltex \currentcnt{4}?><label>Figure 4</label><caption><p id="d1e2758">The most suitable ROIs and corresponding REV dimensions of Berea
sandstone and Grosmont carbonate GH-bearing sediment are shown in
panels <bold>(a)</bold>, <bold>(b)</bold> and <bold>(c)</bold>, respectively.</p></caption>
          <?xmltex \igopts{width=398.338583pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f04.png"/>

        </fig>

      <p id="d1e2776">In the case of Berea sandstone, four different ROIs were investigated,
whereas with Grosmont carbonate rock seven different ROIs were needed to identify
the best REVs. Cubical stack sizes between 300<inline-formula><mml:math id="M105" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> and 700<inline-formula><mml:math id="M106" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> slices
were tested, and later it was established that a stack size around 480<inline-formula><mml:math id="M107" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> was the best suited. Through our previous scientific studies on the GH sediments (Sell
et al., 2016, 2018), we were aware of the best-suited REVs and
established that stack size of 700<inline-formula><mml:math id="M108" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula> was an appropriate stack size. The
identification of best REV for Grosmont was relatively tedious compared to
Berea sandstone and GH sediment due to the low resolution and microporosity
present in the Grosmont tomograms. Figure 4<?pagebreak page326?> shows the chosen ROIs of Berea,
Grosmont and GH dataset, and Figs. 6 and 8 show the surface plot for
respective REVs.<?xmltex \hack{\newpage}?></p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F5"><?xmltex \currentcnt{5}?><label>Figure 5</label><caption><p id="d1e2819">2-D slices of REV 1 are represented above. The raw image is first
filtered with anisotropic diffusion filtered and later on with non-local
means. Thereafter, the different phases were segregated using a
segmentation and indexing approach, and the raw image(s) were rescaled such
that there was no overlap or mixed phases within the raw image; an
example is shown as the rescaled 2-D ROI plot. Thereafter, <inline-formula><mml:math id="M109" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means
segmentation is performed on the complete stack; 2-D images of slice 1, slice
20 and slice 695 are shown as examples.</p></caption>
          <?xmltex \igopts{width=236.157874pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f05.png"/>

        </fig>

</sec>
<sec id="Ch1.S5.SS2">
  <label>5.2</label><title>Data processing</title>
      <p id="d1e2843">In the case of Berea sandstone, the 3-D reconstructed raw images (1024<inline-formula><mml:math id="M110" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula>)
had sufficient high resolution and contrast, and thus did not show any
noticeable change to the filtration, whereas the XCT images (1024<inline-formula><mml:math id="M111" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula>) of
the Grosmont carbonate rock needed a non-local means filtering which yielded
better visualization and performance results compared to those<?pagebreak page327?> enhanced
with the anisotropic diffusion filter. However, for the GH synchrotron dataset, the
CobWeb 1.0 filters were insufficient to normalize the edge enhancement
artefact. Several attempts were made to remove the edge enhancement effect
using single filters and in combination with supervised techniques, but they
did not yield desirable results. The edge enhancement artefact pixel values
were in very close proximity to the GH sediment pixels. Therefore,
pre-processing with single filters despite using appropriate settings could
not normalize enhancement artefacts to a reasonable range of values. Despite
tailoring a customized training dataset using a representative slice, due to a
large standard deviation in the edge enhancement artefact values, GH was
systematically misclassified as ED as the pixel values deviated away from
the trained model. An alternative approach was to create different training
datasets using several representative slices and introduce the unknown stack
of data for classification in batches of 100 slices. This regularization
trick for us did not represent a good norm for supervised ML classification.</p>
      <p id="d1e2864">Hence, through the experiments conducted in Sell et al. (2016), for us,
dual filtration was one of the best approaches that we could include in the
pre-processing step. This dual filtering did not remove the ED completely but
rather normalized it to a reasonable range. Through the approach of rescaling
and (hard) <inline-formula><mml:math id="M112" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula>-means segmentation (dual segmentation), we were absolutely sure
that the ED artefact had been removed. This dual filtering scheme is
explained in Sect. 4.1.2. It is to be noted that the NLM filter is
hard-coded as 2-D in the CobWeb stand-alone version (GUI). But, by tweaking or
modifying the source code, we could initially pre-process the XCT images
using NLM 3-D filtration and thereafter subjected it to segmentation.</p>
      <p id="d1e2874">In general, our observation is that, depending on the resolution of the
dataset, the fixed parameters of NLM and other filters should do a fairly
good job. In the event that there still exists noise and artefacts, we recommended
that the supervised techniques be used. The supervised techniques offer the
possibility to select the residual noise or artefact pixel values before or
after the filtration (pre-processing) through proper feature vector
selection, and further train the appropriate model and performing
classification. Through this, the existing noise and artefact can be
isolated and segmented as separate labels. Another alternative option could
be to pre-process the data with desired filter data and import the data
into CobWeb for segmentation and analysis.</p>
      <p id="d1e2877">Another issue has to be explained in more detail in the implementation of
the image segmentation. CobWeb 1.0 uses a slice-by-slice 2-D approach. It was
observed that the ML techniques tend to underestimate porosity values
compared to manually segmented analysis at a REV scale size <inline-formula><mml:math id="M113" display="inline"><mml:mo>&gt;</mml:mo></mml:math></inline-formula> 500<inline-formula><mml:math id="M114" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msup></mml:math></inline-formula>. This substantial degree of uncertainty is caused due to 2-D
slice-by-slice processing rather than the ML techniques. The 2-D
slice-by-slice approach, passes only the spatial information (<inline-formula><mml:math id="M115" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula> and <inline-formula><mml:math id="M116" display="inline"><mml:mi>y</mml:mi></mml:math></inline-formula>
coordinate direction) to the ML algorithms, and the ML algorithm ends up
sorting the intensity variation in the spatial domain (local optimum).
Therefore, the lack of spatial information (<inline-formula><mml:math id="M117" display="inline"><mml:mi>x</mml:mi></mml:math></inline-formula>-coordinate direction)
restricts the degree of freedom to find a global optimum. In other words,
changes due to bedding (sedimentary rock) or microporosity (carbonate
rocks) in the rock texture are represented as a sudden spike or dip in
porosity values, which appear as artefacts or anomalies  and are often
discarded. We acknowledge this issue, and correction will be implemented in
the future software version; in the current workflow, it has not been
accounted for (CobWeb 1.0). The 2-D slice-by-slice processing scheme is much
faster compared to the 3-D approach. So, the choice of 2-D processing for this
research study was made to make it affordable to compute on a desktop and laptop
for near-real-time and on-site evaluation. The inaccuracies in porosities are
compensated by calculation of the mean porosity of the complete stack.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F6" specific-use="star"><?xmltex \currentcnt{6}?><label>Figure 6</label><caption><p id="d1e2920">Panels <bold>(a, b)</bold> show surface plot of REVs of Berea sandstone and Grosmont
carbonate (size <inline-formula><mml:math id="M118" display="inline"><mml:mrow><mml:mn mathvariant="normal">471</mml:mn><mml:mo>×</mml:mo><mml:mn mathvariant="normal">478</mml:mn><mml:mo>×</mml:mo><mml:mn mathvariant="normal">480</mml:mn></mml:mrow></mml:math></inline-formula>) using the visualization ParaView  software. Panel <bold>(c)</bold> shows the relative porosity (%) trend for Berea sandstone and
Grosmont carbonate REV samples. Panels <bold>(d, e)</bold> show the pore size
distribution of Berea sandstone and Grosmont carbonate. XCT images were
segmented using <inline-formula><mml:math id="M119" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means. In the case of Grosmont, a non-local means filter
was used.</p></caption>
          <?xmltex \igopts{width=341.433071pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f06.png"/>

        </fig>

</sec>
<?pagebreak page328?><sec id="Ch1.S5.SS3">
  <label>5.3</label><title>Multiphase image segmentation</title>
      <p id="d1e2969">The major problem for all multiphase segmentation is that phases having
intermediate greyscale values get sandwiched between two different phases.
These intermediate phases sometimes represent some of the vital material
properties such as connectivity. Therefore, it is vital to emphasize how ML
can assist in issues related to multiphase segmentation. In a practical
sense, machine learning tries to separate greyscale values into disjoint
sets. The creation of these disjoint sets is commonly done in two ways:
<list list-type="order"><list-item>
      <p id="d1e2974">The first way is by binning the greyscale values to the nearest representative values which are iteratively updated using an optimization function. This optimization function can be a simple regression or distance function (Jain et al., 1999), commonly used in unsupervised techniques.</p></list-item><list-item>
      <p id="d1e2978">The second way is by regularizing pre-trained models which store certain pattern information of the datasets such as topology features, contour intensities, pixel value, etc. (Hopfield, 1982; Haykin, 1995; Suykens and Vandewalle, 1999) or by using a voting system in a bootstrap ensemble of linear models (Breiman, 1996).</p></list-item></list></p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F7" specific-use="star"><?xmltex \currentcnt{7}?><label>Figure 7</label><caption><p id="d1e2983">Panel <bold>(a)</bold> shows relative porosity trend analysis of gas
hydrates; panels <bold>(b–e)</bold> show the geometrical pore size
distribution of the respective REVs. The analysis was performed using CobWeb
1.0.</p></caption>
          <?xmltex \igopts{width=426.791339pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f07.png"/>

        </fig>

      <p id="d1e2998">So, in this process, the intermediate greyscale values corresponding to
low volume fraction which shows multi-modal distributions are merged with
greyscale values of high volume fraction to create disjoint boundaries.
Through this, the intermediate phase information is misclassified and hence
destroyed. One way to overcome this problem is by using supervised
techniques such as LSSVM or ensemble classifiers. When constructing a
training dataset (feature vector selection), careful selection of
intermediate phases as a sufficiently large sample size compared to the
predominant phases will preserve the intermediate phases. In addition, the
likelihood that the trained model will identify them and cluster them
separately is higher (Chauhan et al., 2016a). In this study, in particular,
we made tests using supervised techniques (LSSVM, ensemble classifiers) and an unsupervised technique (FCM) but the results were not superior compared to
<inline-formula><mml:math id="M120" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means. Therefore, we choose <inline-formula><mml:math id="M121" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means, as it was faster compared to other ML
techniques. Since we have used <inline-formula><mml:math id="M122" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means for segmentation, it is necessary
that we justify the performance of <inline-formula><mml:math id="M123" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means in terms of accuracy and speed.
In the current research work, since we have used the unsupervised technique, it is safe to say that accuracy and speed are directly proportional to starting
point (initial location) in the segmentation process. This means that the closer
the starting point (initial location) is to the global minima, the faster
the algorithm will converge, and the performance is even better (accuracy and
speed). But, in an unsupervised technique, by default, the choice of the starting
point is through random seed unless explicitly specified. So, in the case of
the dual<?pagebreak page330?> segmentation approach used for segmentation, the intuition was to
capture all the material phases, including the edge enhancement artefact,
speck and noise, etc., in the first step and thereafter in the second step to
rescale them to the plausible phases. Hence, in the first step, the 20
clusters were initialized using random seed. And, after the rescaling
processes, we were aware of the initial locations which we used as a
starting point (initial location) to assist the algorithm to move towards
identifying correct phases. Therefore, we could increase both the speed and
accuracy of <inline-formula><mml:math id="M124" display="inline"><mml:mi>k</mml:mi></mml:math></inline-formula> means. In the case of Berea sandstone, the segmentation was
restricted to four clusters, out of which three phases can be clearly seen.
The first two phases are pores and rock; in the third phase, minerals
(ankerite, zircon, k-feldspar, quartz, and clay) have been classified into a
single mono-mineral phase; and the fourth phase comprises small-scale
features like residual speck and noise pixels. The Grosmont carbonate sample
was also segmented into four clusters comprised of pore, pore inclusions,
calcite and brightness inhomogeneities of noise classified and the fourth
phase.</p>
      <p id="d1e3037">Note that the purpose of this study was to demonstrate the capabilities of
CobWeb and removal of edge enhancement segmentation through dual filtration
and dual segmentation schemes. Detailed verification with LSSVM and ensemble
classifiers therefore  falls outside the scope of this work, and readers are
referred to the previous work from Chauhan et al. (2016a) based on which
CobWeb is developed. That work benchmarks different ML algorithms and
quantifies their respective accuracies and performance.</p>
</sec>
<sec id="Ch1.S5.SS4">
  <label>5.4</label><title>Estimation of relative porosity and pore size distribution</title>
      <p id="d1e3048">The PSDs of the respective REVs were calculated
using the CobWeb PSD module. The PSD module is based on an image processing
morphological scheme (watershed transformation) suggested by Rabbani et al. (2014). As stated in Rabbani et al. (2014), the aim is to
break down the monolithic void structure of rock into specific pores and
throats connecting each other. Rabbani et al. (2014) used unsegmented
images and performed image filtration and thereafter segmented using
watershed transformation. In our case, the tomograms were already
pre-processed and segmented using ML techniques. These images are converted
to binary images and thereafter subjected to the image processing distance
function (Rosenfeld, 1969) and the watershed algorithm (Myers et al., 2007)
to extract pores and throats. City-block distance function is used to locate
the void pixels (pores), and watershed with eight connected neighbourhoods was
used to obtain the interconnectivity. Since the watershed algorithm is very
sensitive to noise, despite the pre-processing and ML segmentation, the median
filter was applied before subjecting to the watershed segmentation.
Thereafter, the mean relative porosity value obtained for Berea sandstone was
<inline-formula><mml:math id="M125" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">17.3</mml:mn><mml:mo>±</mml:mo><mml:mn mathvariant="normal">2.6</mml:mn></mml:mrow></mml:math></inline-formula> %, whereas for Grosmont carbonates the mean
porosity value was lower (<inline-formula><mml:math id="M126" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">10.5</mml:mn><mml:mo>±</mml:mo><mml:mn mathvariant="normal">2.3</mml:mn></mml:mrow></mml:math></inline-formula> %), as shown in Fig. 6. Particularly, in the case of Grosmont, after segmentation, the obtained
porosity value (<inline-formula><mml:math id="M127" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">10.5</mml:mn><mml:mo>±</mml:mo><mml:mn mathvariant="normal">2.3</mml:mn></mml:mrow></mml:math></inline-formula> %) is extremely low compared to
the laboratory measurement (<inline-formula><mml:math id="M128" display="inline"><mml:mrow><mml:mi mathvariant="italic">ϕ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">21</mml:mn></mml:mrow></mml:math></inline-formula> %) published in Andrä et
al. (2013a). The exact reason is not known but could also be partly
attributed to sub-resolution pores which could not be captured due to low
resolution obtained through XCT measurement. The regression coefficient
value of <inline-formula><mml:math id="M129" display="inline"><mml:mrow><mml:msup><mml:mi>R</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>=</mml:mo><mml:mn mathvariant="normal">0.092</mml:mn></mml:mrow></mml:math></inline-formula> for the Berea sandstone porosity trend indicates
that porosity remains constant throughout the REV sizes chosen and
therefore consolidated for scale-independent heterogeneities. In the case of
Grosmont carbonate rock, the chosen REV size was the best out of the five
obtained, which consolidate again for scale-independent heterogeneities. The
average pore size distribution thus obtained was 6.70 <inline-formula><mml:math id="M130" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m <inline-formula><mml:math id="M131" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula> 0.68 <inline-formula><mml:math id="M132" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m and 14.21 <inline-formula><mml:math id="M133" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m <inline-formula><mml:math id="M134" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula> 0.66 <inline-formula><mml:math id="M135" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m for Berea and Grosmont
plug samples, respectively.</p>
      <p id="d1e3173">Similarly, the porosity and PSD of the four GH REVs were analysed using
CobWeb 1.0 and are shown in Fig. 7. The low <inline-formula><mml:math id="M136" display="inline"><mml:mrow><mml:msup><mml:mi>R</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula> values of the porosity
trends justify that these GH REVs are scale independent and are an
accurate representation of a large-scale system and are best suited for
digital rock analysis. However, there is a high variance compared with the
mean PSD values. The exact reason is unknown but may be due to the drastic
increase and decrease of the quartz grains which can be seen in Fig. 5, or it
could be that PSD requires much larger REV compared to that used for
porosity analysis. The first and last 2-D slices of ROI 1 in Fig. 5 show
either non-isotropic or isotropic distribution of quartz grains, which might
have contributed to the respective high and low standard deviations seen in
the porosity distribution. Figure 8 shows the surface and volume-rendered
plots of REV 1 and REV 2; due to the high accuracy of segmentation, the
quartz grain, brine and GH boundaries are clearly segregated, and ED effect
eliminated.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F8"><?xmltex \currentcnt{8}?><label>Figure 8</label><caption><p id="d1e3189">Segmented REVs of a gas hydrate sample displayed as surface, and
volume rendered and analysed using CobWeb 1.0 and exported to .vtk format using the
CobWeb 1.0 ParaView plugin. The quartz grain phase is represented in green
colour, gas hydrate is in red, and in blue is the void space.</p></caption>
          <?xmltex \igopts{width=236.157874pt}?><graphic xlink:href="https://gmd.copernicus.org/articles/13/315/2020/gmd-13-315-2020-f08.png"/>

        </fig>

<?xmltex \hack{\newpage}?>
</sec>
</sec>
<?pagebreak page331?><sec id="Ch1.S6" sec-type="conclusions">
  <label>6</label><title>Conclusions and outlook</title>
      <p id="d1e3209">This paper introduces with CobWeb 1.0, a new visualization and image analysis
toolkit dedicated to representative elementary volume analysis of digital
rocks. CobWeb 1.0 is developed on the MATLAB<sup>®</sup>
framework and can be used as MATLAB<sup>®</sup> plugin or
as a stand-alone executable. It offers robust image segmentation schemes
based on ML techniques (unsupervised and supervised),
where the accuracy of the segmentation schemes can be determined and results
can be compared. Dedicated image processing filters such as the non-local
means, anisotropic diffusion, averaging and the contrast enhancement
functions help to reduce artefacts and increase the signal-to-noise ratio.
The petrophysical and geometrical properties such as porosity, pore size
distribution and volume fractions can be computed quickly on a single
representative 2-D slice or on a complete 3-D stack. This had been validated
using synchrotron datasets of the Berea sandstone (at a spatial resolution
of 0.74 <inline-formula><mml:math id="M137" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m), a GH-bearing sediment (0.76 <inline-formula><mml:math id="M138" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m) and a
high-resolution lab-based cone-beam tomography dataset of the Grosmont
carbonate rock (2.02 <inline-formula><mml:math id="M139" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m). The gas hydrate dataset, despite its
nanoscale resolution, was hampered with strong edge enhancement artefacts. A
combination of the dual filtering and dual clustering approach is proposed
to completely eliminate the ED effect in the gas hydrate sediments, and the
code is attached in the Supplement. The REV studies performed on Berea
sandstone, Grosmont carbonate rock and GH sediment using CobWeb 1.0 show
relative porosity trends with very low linear regression values of 0.092,
0.1404 and 0.0527, respectively. CobWeb 1.0's ability to accurately segment data
without compromising the data quality at a reasonable speed makes it a
favourable tool for REV analysis.</p>
      <p id="d1e3242">CobWeb 1.0 is still somewhat limited regarding its volume-rendering
capabilities, which will be one of the features to improve in the next
version. The volume-rendering algorithms implemented in CobWeb 1.0 so far do
not reach the capabilities offered by ParaView or DSI Studio, which rely
on the OpenGL marching cube scheme. At present, the densely nested loop
structure appears to be the best choice for systematic processing. As an
outlook, vectorization and indexing approaches (<italic>bsxfun, repmat</italic>) have to be checked in
detail to improve on processing speed. MATLAB<sup>®</sup> Java synchronization will be explored further to configure issues
related to multi-threading and visualization (Java OpenGL). Furthermore, a
module CrackNet (crack network) is planned to be implemented, which will
explicitly tackle the segmentation of cracks and fissures in geomaterials
using machine learning techniques and a mesh generation plugin (.stl format)
for 3-D printing. Pore network extraction and skeletonization schemes such as the
modified maximum ball algorithm (Arand and Hesser, 2017) and medial axis
transformation (Katz and Pizer, 2003) will be considered such that the data
can be exported to open-source pore network modelling packages such as
the finite-difference method Stokes solver (FDMSS) for 3-D pore geometries and
OpenPNM (Gerke et al., 2018; Gostick, 2017; Gostick et al., 2016).</p>
</sec>

      
      </body>
    <back><notes notes-type="codedataavailability"><title>Code and data availability</title>

      <p id="d1e3255">With regards to the code availability, the MATLAB<sup>®</sup> code for removal of edge enhancement artefacts from the GH-bearing sediment is attached in the Supplement. The CobWeb executable as well as the user manual and the GH-bearing sediment XCT datasets are available to the public on the Zenodo repository
<ext-link xlink:href="https://doi.org/10.5281/zenodo.2390943" ext-link-type="DOI">10.5281/zenodo.2390943</ext-link> (Chauhan et al., 2019).</p>

      <p id="d1e3264">The CobWeb executable requires a MATLAB<sup>®</sup> runtime compiler R2017b (9.3), which can be downloaded and installed from
<uri>https://de.mathworks.com/products/compiler/matlab-runtime.html</uri> (last access: 24 January 2020). The XCT dataset of Berea sandstone and
Grosmont carbonate rock can be obtained from the GitHub FTP server (<uri>http://github.com/cageo/Krzikalla-2012</uri>, Andrä et al., 2012). The GH XCT datasets are not publicly available.</p>
  </notes><app-group>
        <supplementary-material position="anchor"><p id="d1e3276">The supplement related to this article is available online at: <inline-supplementary-material xlink:href="https://doi.org/10.5194/gmd-13-315-2020-supplement" xlink:title="zip">https://doi.org/10.5194/gmd-13-315-2020-supplement</inline-supplementary-material>.</p></supplementary-material>
        </app-group><notes notes-type="authorcontribution"><title>Author contributions</title>

      <p id="d1e3285">SC conceptualized, investigated and performed the study.
Further, SC implemented the machine learning workflow and graphical user
interface design. Additionally, SC performed the formal analysis
and developed a software code for the removal of the edge enhancement
artefacts using the dual<?pagebreak page332?> clustering approach. Further contributions of SC included data curation of the CobWeb software; writing the software manual and figures; and writing, reviewing and editing the manuscript.</p>

      <p id="d1e3288">KS conceptualized, investigated and performed a case study on gas
hydrates. Further, she performed a study on the removal of edge enhancement
artefacts and phase segmentation of methane hydrate XCTs.
Also, she did a formal analysis by implementing the dual filtration approach to
reduce the edge enhancement artefacts. KS participated in
discussions to validate phase segmentation using the dual segmentation
approach and was involved in writing, reviewing and editing the manuscript.</p>

      <p id="d1e3291">WR was involved in the project administration of the CobWeb
activities and provided resources with respect to GUI and inputs on improving GUI functionalities.</p>

      <p id="d1e3294">TW was involved in funding acquisition and sponsoring the CobWeb
project, under the framework of the SUGAR (Submarine Gashydrat Ressourcen)
III project by the Germany Federal Ministry of Education and Research (grant
no. 03SX38IH). He was involved in project administration and provided
feedback on GUI functionalities.</p>

      <p id="d1e3297">IS was involved in the concept and funding acquisition for the CobWeb
project, under the framework of the SUGAR (Submarine Gashydrat Ressourcen)
III project by the Germany Federal Ministry of Education and Research (grant
no. 03SX38IH). He also provided supervision, project administration,
resources and periodic review to improve GUI functionalities.</p>
  </notes><notes notes-type="competinginterests"><title>Competing interests</title>

      <p id="d1e3304">The authors declare that they have no conflict of interest.</p>
  </notes><?xmltex \hack{\newpage}?><ack><title>Acknowledgements</title><p id="d1e3311">We thank Heiko Andrä and his team at Fraunhofer ITWM, Kaiserslautern,
Germany, for providing us with the synchrotron tomography benchmark dataset
of the Berea sandstone. We also thank Michael Kersten, Frieder Enzmann and
his group at the Institute for Geoscience, Johannes-Gutenberg
Universität Mainz, for providing high-resolution gas hydrate
synchrotron data. The acquisition of the GH synchrotron data was
funded by the German Science Foundation (DFG grants Ke 508/20 and Ku 920/18).
This study was funded within the framework of the SUGAR (Submarine Gashydrat
Ressourcen) III project by the Germany Federal Ministry of Education and
Research (BMBF grant 03SX38IH). The sole responsibility of the paper lies
with the authors.</p><p id="d1e3313">We thank Kirill Gerke, two anonymous reviewers and the editor, Thomas Poulet, for their valuable comments and suggestions which significantly
improved the manuscript.</p></ack><notes notes-type="financialsupport"><title>Financial support</title>

      <p id="d1e3318">This research has been supported by the BMBF (grant no. 03SX38IH).</p>
  </notes><notes notes-type="reviewstatement"><title>Review statement</title>

      <p id="d1e3324">This paper was edited by Thomas Poulet and reviewed by Kirill Gerke and two anonymous referees.</p>
  </notes><ref-list>
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    <!--<article-title-html>CobWeb 1.0: machine learning toolbox for tomographic imaging</article-title-html>
<abstract-html><p>Despite the availability of both commercial and open-source software, an
ideal tool for digital rock physics analysis for accurate automatic image
analysis at ambient computational performance is difficult to pinpoint. More
often, image segmentation is driven manually, where the performance remains
limited to two phases. Discrepancies due to artefacts cause inaccuracies in
image analysis. To overcome these problems, we have developed CobWeb 1.0, which is automated and explicitly tailored for accurate
greyscale (multiphase) image segmentation using unsupervised and supervised
machine learning techniques. In this study, we demonstrate image
segmentation using unsupervised machine learning techniques. The simple and
intuitive layout of the graphical user interface enables easy access to
perform image enhancement and image segmentation, and further to obtain the
accuracy of different segmented classes. The graphical user interface
enables not only processing of a full 3-D digital rock dataset but also
provides a quick and easy region-of-interest selection, where a
representative elementary volume can be extracted and processed. The CobWeb
software package covers image processing and machine learning libraries of
MATLAB<span style="position:relative; bottom:0.5em; " class="text">®</span> used for image enhancement and image
segmentation operations, which are compiled into series of Windows-executable binaries. Segmentation can be performed using unsupervised,
supervised and ensemble classification tools. Additionally, based on the
segmented phases, geometrical parameters such as pore size distribution,
relative porosity trends and volume fraction can be calculated and
visualized. The CobWeb software allows the export of data to various formats
such as ParaView (.vtk), DSI Studio (.fib) for visualization and animation,
and Microsoft<span style="position:relative; bottom:0.5em; " class="text">®</span> Excel and
MATLAB<span style="position:relative; bottom:0.5em; " class="text">®</span> for numerical calculation and
simulations. The capability of this new software is verified using
high-resolution synchrotron tomography datasets, as well as lab-based
(cone-beam) X-ray microtomography datasets. Regardless of the high spatial
resolution (submicrometre), the synchrotron dataset contained edge
enhancement artefacts which were eliminated using a novel dual filtering and
dual segmentation procedure.</p></abstract-html>
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