Method and apparatus for constructing catalyst system relaxed energy prediction model

A computing device, comprising:

• a memory, configured to store computer-executable instructions;
• and
• a processor, configured to perform, when the computer-executable instructions are executed by the processor, a method for constructing a catalyst system relaxed energy prediction model including:
• obtaining a first training data set, the first training data set comprising a plurality of pieces of first training data, each piece of first training data comprising a first training sample and a corresponding first sample label;
• training a catalyst system energy prediction model by using the first training data set, to obtain a pre-trained catalyst system energy prediction model;
• constructing a catalyst system relaxed energy initial prediction model based on the pre-trained catalyst system energy prediction model;
• obtaining a second training data set, the second training data set comprising a plurality of pieces of second training data, each piece of second training data comprising a second training sample and a corresponding second sample label;
• and
• training the catalyst system relaxed energy initial prediction model by using the second training data set, to obtain a catalyst system relaxed energy prediction model.

A non-transitory computer-readable storage medium, having computer-executable instructions stored therein, the computer-executable instructions, when executed, implementing a method for constructing a catalyst system relaxed energy prediction model obtaining a first training data set, the first training data set comprising a plurality of pieces of first training data, each piece of first training data comprising a first training sample and a corresponding first sample label;

• training a catalyst system energy prediction model by using the first training data set, to obtain a pre-trained catalyst system energy prediction model;
• constructing a catalyst system relaxed energy initial prediction model based on the pre-trained catalyst system energy prediction model;
• obtaining a second training data set, the second training data set comprising a plurality of pieces of second training data, each piece of second training data comprising a second training sample and a corresponding second sample label;
• and
• training the catalyst system relaxed energy initial prediction model by using the second training data set, to obtain a catalyst system relaxed energy prediction model.