Figure 1 | Scientific Reports

Figure 1

From: On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Figure 1

Mean shift theory (MST) as applied to diffraction patterns taken from a composition spread wafer for rapid phase distribution analysis.

(a) X-ray diffraction data are taken from a thin-film composition spread wafer mapping a ternary (A-B-C) compositional phase diagram. The data are then analyzed using cluster analysis to produce a potential structural phase distribution diagram, identifying separated phase regions. (b) The MST process: 1) Feature vectors are produced for each sample on a combinatorial library. Each sample is projected into the feature vector space - shown here as 2 dimensional and unitless for ease of visualization and the feature vector density is correlated to an underlying probability density function (PDF) for each ‘hidden’ classification, which in this case are assumed to be two separated different phase regions R1 and R2. 2) PDF analysis is performed using MST-based mode detection and all samples from the same PDF are clustered together.

Back to article page