Figure 2. (IMAGE)
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Figure 2. Machine learning workflow. A model was created using a random forest classifier that predicts the class label of a given chemical composition as quasicrystal (QC), approximant (AC), or “others”. Model training and testing were performed on the compositional features of 80 known quasicrystals, 78 approximants, and 10,090 ordinary crystals. We then performed high-throughput screening across all Al-TM-TM (TM: transition metal) alloys to generate their predicted phase diagrams.
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