nodes

  • 30-30 (default)

nodes indicate the network architecture. 30-30 means 2 hidden layers with 30 hidden nodes. As shown below, increasing the number of nodes guarantees low energy RMSE but slow computation, while decreasing the number of nodes is fast but gives high energy RMSE value.

../../../_images/nodes.png

Note

Note that this figure is the result of Si MD, which is too simple to show the effect of nodes.