Data-driven Approach to Improve State-resolved Rate Coefficient Data for Diatom-Diatom Collisions

In various astronomical environments, such as star-forming regions, protoplanetary disks, and AGB envelopes, the collision between a diatomic molecule and H2 plays a crucial role in accurate molecular emission modeling. To obtain precise state-resolved rate coefficient data for the relaxation of vibrationally and rotationally excited molecules, accurate quantum mechanical calculations are computationally expensive, while approximate approaches are less accurate but more efficient. In this study, we propose a data-driven approach to improve the accuracy of state-resolved rate coefficient data and apply it to the SiO-H2 collision system. We use a multilayer perceptron model to predict the difference between the accurate and approximate results. The model is trained on a carefully selected and pre-processed dataset that includes both approximate and accurate calculation results. Our approach successfully improves the accuracy of the approximate results, effectively bridging the gap between expensive and efficient approaches. This approach has potential applications in other fields to enhance the accuracy of approximate calculations. This work was partially supported by NASA Grants 80NSSC21K1464 and 80NSSC22K1167.