deep learning: use NN classifier to correlate input/output

[farhi]

Can use:

• https://fr.mathworks.com/matlabcentral/fileexchange/64247-simple-neural-network

example:

• input: structure
• output: forces or dyn matrix, or vDOS, etc.

[farhi]

Matlab contribs:

• https://fr.mathworks.com/matlabcentral/fileexchange/55946-mlp-neural-network-trained-by-backpropagation is nice, but requires R2016b+ for implicit array expansion, or put bsxfun in array operations.
• attached ZIP includes a multi-layer perceptron (MLP) which works nicely in R2010a

neural-net.zip

[farhi]

Excellent TensorFlow interface for Matlab:

• https://fr.mathworks.com/matlabcentral/fileexchange/57610-a-matlab-implementation-of-the-tensorflow-neural-network-playground
• https://fr.mathworks.com/matlabcentral/fileexchange/62808-tensorflow-for-matlab

definitively something to try !

[farhi]

Choice for GPU:

• https://timdettmers.com/2019/04/03/which-gpu-for-deep-learning/

best today (Mid 2019):

• NVIDIA RTX 2060 and GTX 1060.