We refer to such type of neural ODE a 'kinetics-constrained neural ODE' (KCNODE). The general idea and the architecture of KCNODE for kinetic modelling of CO2 hydrogenation to methane are presented in the Figure . the sign '×' expresses matrix multiplication and the sign '+' is the concatenation. Fimolar flow of i-compound; PΣthe total pressure; Pithe partial pressure of i-compound; Πthe reaction product; Kthe equilibrium constant.