The DeepONet predictions and the corresponding reference QCT data corresponding to two initial states are compared in Figs. for inelastic processes and in Figs. S8-S9 of the Supplementary Material for exchange reactions. The rate coefficients are plotted as functions of ε Vib -ε Rot , and the comparisons are reported for one temperature in the training database (i.e., 20,000 K) and one in the test database (i.e., 2,500 K). The figures show the ellipsoidal excitation patterns of the rate coefficients in an input-feature subspace. The qualitative comparison between the SurQCT predictions and the QCT results highlights the excellent agreement across the temperature range. Furthermore, while the QCT data displays statistical noise due to the Monte Carlo sampling, the predictions of the surrogate are noise free. This is also evident by looking at the inelastic rate coefficient matrices in the supplementary material (Figs. and). Although hard to be interpreted, the visualization of such matrices provides a more comprehensive description of the agreement between SurQCT predictions and QCT data. Overall, the behavior of the inelastic and exchange rate coefficients is well predicted by SurQCT at both temperatures, as further confirmed by the macroscopic observables discussed in the following sections.