Difference between revisions of "Neural network module"

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:Adds the training set and network design parameters for a netset to the MATLAB workspace.
 
:Adds the training set and network design parameters for a netset to the MATLAB workspace.
  
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==Training parameters structure==
 
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All fields required in the "parameters" structure used throughout the neural network module are listed below.
 
  
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'''Training set parameters:'''
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''Version 2.2, authors: [[Ilya Kuprov]], [[Steve Worswick]]''
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  parameters.ntraces    - number of traces you wish to generate
 
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  parameters.min_dist    - lower limit of distance distributions,  
 
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                            Angstrom
 
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  parameters.max_dist    - upper limit of distance distributions,
 
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                            Angstrom
 
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  parameters.max_time    - DEER trace duration, seconds
 
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  parameters.max_exch    - maximum exchange coupling, MHz
 
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                          (NMR convention)
 
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  parameters.min_exch    - minimum exchange coupling, MHz
 
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                          (NMR convention)
 
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  parameters.ndistmax    - maximum number of skewed gaussians
 
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                            in the distance distribution
 
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  parameters.npoints    - number of digitisation points in the
 
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                            DEER trace and the distance distribu-
 
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                            tion
 
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  parameters.noise_lvl  - RMS noise level as a fraction of the
 
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                            modulation depth
 
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  parameters.min_fwhm    - minimum FWHM for a skewed gaussian in
 
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                            the distance distribution, fraction of
 
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                            distance
 
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  parameters.max_fwhm    - maximum FWHM for a skewed gaussian in
 
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                            the distance distribution, fraction of
 
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                            distance
 
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  parameters.min_skew    - minimum shape parameter for a skewed
 
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                            gaussian in the distance distribution
 
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  parameters.max_skew    - maximum shape parameter for a skewed
 
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                            gaussian in the distance distribution
 
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  parameters.max_mdep    - minimum DEER modulation depth
 
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  parameters.min_mdep    - maximum DEER modulation depth
 
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  parameters.max_brate  - maximum background signal decay
 
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                            rate, s^-1
 
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  parameters.min_brate  - minimum background signal decay
 
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                            rate, s^-1
 
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  parameters.min_bdim    - minimum background dimensionality
 
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  parameters.max_bdim    - maximum background dimensionality
 
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'''Network design parameters:'''
 
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  parameters.layer_sizes - number of neurons per layer, expected
 
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  as a horizontal vector where the number
 
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  of elements is the number of layers
 
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  desired.
 
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  parameters.lastlayer  - activation function to use in the
 
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  neural network output layer.
 
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  parameters.method      - neural network training algorithm
 
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  selection.
 

Revision as of 16:11, 22 August 2018

DEERNet is a collection of functions that make and use deep neural networks for processing DEER data. The approach is described in detail in https://dx.doi.org/10.1126/sciadv.aat5218

Using DEERNet

Simply feed your DEER data to deernet.m or download DeerAnalysis2018, which is easy to use and has DEERNet integrated.

Training your own networks

  1. Use deer_lib_gen.m to build the training database.
  2. Use train_one_net.m repeatedly to create a netset.
  3. Use netset_curate.m to eliminate low-performance networks.
  4. Use the resulting netset with deernet.m or deernet_bckg.m

Functions

deer_lib_gen.m
Generates a library of simulated DEER data for use in neural network training and validation.
deer_resample.m
Resamples a suuplied DEER trace to fit the number of digitsation points expected by the neural network.
deernet.m
Uses a curated ensemble of neural networks to extract a distance distribution from primary DEER data.
elexsys2deernet.m
Prepares standard Bruker Elexsys datasets for input into the deernet.m function.
netset_curate.m
Evaluates an ensemble of neural networks and decides which ones are best.
process_using.m
Runs the DEER data processing using a specified neural network file.
train_one_net.m
Trains a single neural network using supplied parameters.
netset_params.m
Adds the training set and network design parameters for a netset to the MATLAB workspace.


Version 2.2, authors: Ilya Kuprov, Steve Worswick