| CPC G06N 20/00 (2019.01) [G06F 18/211 (2023.01); G16C 60/00 (2019.02)] | 20 Claims |

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1. A system comprising:
a processor; and
a memory communicably coupled to the processor and storing an acquisition module and machine learning (ML) module with machine-readable instructions that, when executed by the processor, cause the processor to:
select a training data set from a candidate data set via the machine-readable instructions of the acquisition module, the training data set including a first subset of material candidates each having a material property within a predefined range and a second subset of material candidates each having a one-sided material property outside the predefined range; and
via the machine readable instructions of the ML module:
impute a fixed value for the material property outside the predefined range for the second subset of material candidates;
train a ML model with the first subset of material candidates and the second subset of material candidates with the imputed fixed value; and
predict, using the trained ML model, the material property for materials having the material property within the predefined range and materials having the one-side material property outside the predefined range.
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