:orphan:

Decomposition
=============


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  <div id='sg-tag-list' class='sphx-glr-tag-list'></div>


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    <div class="sphx-glr-thumbnails">

.. thumbnail-parent-div-open

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    <div class="sphx-glr-thumbcontainer" tooltip="sketch-map [Ceriotti2011]_ is a nonlinear dimensionality-reduction algorithm for atomistic simulations, where configurations cluster into basins. Only intermediate distances are informative there, as short ones measure thermal fluctuations inside a basin and long ones only say that two configurations lie in different basins. Methods that reproduce all distances equally, like MDS, or maximize retained variance, like PCA, let these extremes shape the map. sketch-map instead passes distances through a sigmoid first, so that the embedding is based on the informative range.">

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  .. image:: /examples/decomposition/images/thumb/sphx_glr_sketchmap_thumb.png
    :alt:

  :doc:`/examples/decomposition/sketchmap`

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      <div class="sphx-glr-thumbnail-title">sketch-map: nonlinear dimensionality reduction</div>
    </div>


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    </div>


.. toctree::
   :hidden:

   /examples/decomposition/sketchmap


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  .. container:: sphx-glr-footer sphx-glr-footer-gallery

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download all examples in Python source code: decomposition_python.zip </examples/decomposition/decomposition_python.zip>`

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download all examples in Jupyter notebooks: decomposition_jupyter.zip </examples/decomposition/decomposition_jupyter.zip>`


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 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_