System design and optimization problems require large-scale chemical kinetic models. Pure kinetic models of naphtha pyrolysis need to solve a complete set of stiff ODEs and is therefore too computational expensive. On the other hand
artificial neural networks that completely neglect the topology of the reaction networks often have poor generalization. In this paper
a framework is proposed for learning local representations from largescale chemical reaction networks. At first
the features of naphtha pyrolysis reactions are extracted by applying complex network characterization methods. The selected features are then used as inputs in convolutional architectures. Different CNN models are established and compared to optimize the neural network structure. After the pre-training and fine-tuning step
the ultimate CNN model reduces the computational cost of the previous kinetic model by over 300 times and predicts the yields of main products with the average error of less than 3%. The obtained results demonstrate the high efficiency of the proposed framework.
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