fig5

PhyMLP: an automated strategy for machine-learning potential construction via data fusion and adaptive point-sampling

Figure 5. t-SNE projections of the W dataset based on the SOAP descriptor. t-SNE: t-Distributed stochastic neighbor embedding; SOAP: smooth overlap of atomic positions; SF: surface; GB: grain boundary; MD: molecular dynamics; PV: pressure-volume; MP: Materials Project; BCC: body-centered cubic; DFT: density functional theory.

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