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. 2020 Apr 13;16(5):3194–3204. doi: 10.1021/acs.jctc.9b01256

Figure 3.

Figure 3

Learning curves of the three-body force kernels applied to the SW fluid. ΔF is the force error per configuration; N is the number of training configurations. The average number of triplets per configuration is 43 in all cases except the last curve. The Hessian kernel with ordered representation and all permutations has on average 52 triplets per particle, due to a different decomposition of the configuration into three-body interactions.