2 papers
physics.comp-ph2017
Extensive deep neural networks for transferring small scale learning to large scale systems
Kyle Mills, Kevin Ryczko, Iryna Luchak +3
We present a physically-motivated topology of a deep neural network that can efficiently infer extensive parameters (such as energy, entropy, or number of particles) of arbitrarily…
cond-mat.mtrl-sci2017
Convolutional neural networks for atomistic systems
Kevin Ryczko, Kyle Mills, Iryna Luchak +2
We introduce a new method, called CNNAS (convolutional neural networks for atomistic systems), for calculating the total energy of atomic systems which rivals the computational cos…