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. 2020 Nov 23;40(2):2000203. doi: 10.1002/minf.202000203

Figure 5.

Figure 5

An overview of the evaluation method. The outputs from the middle layer of VAE is reduced to a vector, which is used for predicting physical properties. The number zi described in the embedding space represents a neighboring point in the embedding space for the embedding vector and represents the order of proximity.