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. 2023 Jun 9;9(23):eadg8180. doi: 10.1126/sciadv.adg8180

Table 1. MPC conditioned on different partial precursors for the same target material LaAlO3.

The predicted complete precursors are the ones with the highest probabilities (bold). N/A denotes the absence of partial precursors, i.e., all precursors are masked in the MPC task.

Partial precursors (condition) Probability to use different precursors (output)
La2O3 Al2O3 La(NO3)3 Al(NO3)3 La2(CO3)3 Al(OH)3
La2O3 0.75 0.71 0.58 0.57 0.57 0.57
Al2O3 0.72 0.73 0.58 0.57 0.58 0.56
La(NO3)3 0.60 0.59 0.64 0.63 0.61 0.61
Al(NO3)3 0.62 0.58 0.65 0.65 0.62 0.60
N/A 0.70 0.69 0.59 0.58 0.59 0.59