Science Advances

Supplementary Materials

This PDF file includes:

  • Section S1. DEER kernel derivation
  • Section S2. Performance illustrations for networks of different depth
  • Section S3. Effects of transfer functions, choke points, and bias vectors
  • Section S4. Behavior of Tikhonov regularization for exchange-coupled systems
  • Section S5. Behavior of neural networks with the increasing level of noise
  • Fig. S1. DEERNet performance illustration, distance distribution recovery: two-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S2. DEERNet performance illustration, distance distribution recovery: three-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S3. DEERNet performance illustration, distance distribution recovery: four-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S4. DEERNet performance illustration, form factor recovery: two-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S5. DEERNet performance illustration, form factor recovery: three-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S6. DEERNet performance illustration, form factor recovery: four-layer feedforward network, fully connected, with 256 neurons per layer.
  • Fig. S7. Tikhonov analysis of synthetic data produced as described in the main text and featuring a unimodal distance distribution in the presence of a fixed exchange coupling (cf. Fig. 17).
  • Fig. S8. A randomly generated DEER data set with the noise SD set at 2.5% of the modulation depth and the resulting distance distribution reconstruction by DEERNet.
  • Fig. S9. A randomly generated DEER data set with the noise SD set at 10% of the modulation depth and the resulting distance distribution reconstruction by DEERNet.
  • Fig. S10. A randomly generated DEER data set with the noise SD set at 30% of the modulation depth and the resulting distance distribution reconstruction by DEERNet.
  • Table S1. Distance distribution recovery performance statistics for feedforward networks with hyperbolic tangent sigmoid (tansig) and logistic sigmoid (logsig) transfer function at the last layer.
  • Table S2. Performance statistics for a family of feedforward networks set up as a sequence of fully connected layers with a choke point in the position indicated.

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