Recognition of X-ray diffraction peak pattern. (IMAGE)
Caption
The significant increase in intensity of reflected light for a particular angle of incidence is represented as a peak, and its pattern can be used as a "fingerprint/feature of a compound." One peak pattern consisting of many peaks corresponds to one compound. The test data diffraction pattern (red curve) is overlaid with the auto-encoder output (blue curve) representing the relevance of peaks in characterization. The peak labeled (a) has significant intensity but low relevancy, a Deep Learning result.
Credit
Ryo Maezono from JAIST.
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