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demo tutorials for building intuition of forward model #230

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geoffwoollard opened this issue May 18, 2024 · 0 comments
Open
6 tasks

demo tutorials for building intuition of forward model #230

geoffwoollard opened this issue May 18, 2024 · 0 comments
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documentation Improvements or additions to documentation good for hackathon

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@geoffwoollard
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geoffwoollard commented May 18, 2024

I think it would be good, in a demo notebook, to show when aspects of the forward model break down and artefacts to look out for.

  • if translation is done by Fourier phase shifts, when the high frequency is numerically unstable (large translations)
  • the difference including hydrogens makes (pdb based forward models)
  • aliasing effects with high defocus CTFs (relative to small pixel size)
  • PDB coordiante centering and voxel / image locations - going back between atom coordinates and map. how to fit them and where the origin is
  • run time and memory bottlenecks in PDB coordinate vs voxel forward models. quantify computational savings.
  • check if gradient information is propagated in parts of forward model (some discrete random sampling methods, e.g. Poisson sampling, or sparse operations may not have gradient methods implemented)
@mjo22 mjo22 added the documentation Improvements or additions to documentation label Sep 11, 2024
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