fig2

High-entropy alloy catalysts: high-throughput and machine learning-driven design

Figure 2. Roadmap of NES generation process. From left to right: an input structure (a template mesh with N sites), a representation of the N input arrays, the ANNs, a representation of the N output vectors, the atom type associated with each output vector and the generated configuration. Reproduced with permission[45]. Copyright 2021, AIP Publishing. NES: neural evolution structure.

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