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The results show that the GNN model can accurately predict the optimal values of the manipulated variables, and application of explainable AI algorithms reveals equality and inequality constraints that are the most important for predicting the optimal solution.
The rapid maturation of artificial intelligence (AI) and machine learning (ML) has catalyzed a profound shift in how chemical engineering problems are formulated, analyzed, and solved. Advances in computing, data availability, and learning algorithms have enabled AI/ML methods to impact applications spanning atomic-s...
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