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by gus_massa
2055 days ago
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Another is a simplified model of the interatomic force https://en.wikipedia.org/wiki/Lennard-Jones_potential that is F = a/d^12 - b/d^6 The difference is that in my example and in your example there are only a few coefficients to tweak to fit the data. So the shape of the curve if fixed and it is very difficult to overfit the data. In the paper they used a full polynomial of degree 12, that has 13 coefficients to tweak and it is very easy to get weird shapes. |
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