Figure7

Machine learning assisted crystal structure prediction made simple

Figure 7. Neural network of ML force fields. This feedforward neural network consists of an input layer, two hidden layers, and an output layer. The input is a coordination matrix. The hidden layers transform the inputs to the local environment of each atom, mapping it to local energy, and finally summing them to get the total energy. Reproduced from Ref.[110]. CC BY-NC 4.0. ML: Machine learning.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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