The previous multi-dimensional MLR models usually performed a long-range potential fitting to determine the long-range coefficients, however, the intra-molecular coordinates were reduced by the vibrational average method due to the inefficiency of mdMLR in nonrigid complexes fitting. However, the MLRNet model can handle flexible complexes fitting efficiently due to the NN representation of the MLR parameters. Thus, a strategy to construct full-dimensional long-range coefficients would be valuable. Here, we propose a pruned basis expansion method to represent long-range coefficients of the H 2 O-He system: