) With the kernel functions quantifying our notion of "similarity", our prior belief is that the simulated selectivity of two COFs will be similar (dissimilar) for (i) two similar (dissimilar) COFs under (ii) two similar (dissimilar) simulation fidelities. Importantly, the material kernel function in eqn. 7 paired with our design of COF space captures our domain knowledge that COFs with closeby composition, pore size, surface area, etc. tend to exhibit similar adsorption properties. Note, for = but x = x , it is apparent that the hyperparameters c and Collecting the simulation data.