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minor modifications to output a better figure
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test/plot_reproduce.jl

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -17,7 +17,7 @@ at = get_atoms(fname)[2]
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## Specify a test set
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testset = []
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k = 0
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n_test = 200 # in our paper we have 2000 test data but it makes no huge difference so I just choose 200 here
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n_test = 200 # in our paper we have 2000 test data but it makes no huge difference so I choose 200 here for a quick illustration
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while k<n_test
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i = rand(1:728)
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j = rand(i+1:729)
@@ -71,7 +71,6 @@ for deg in degset
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end
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rmse_total[nn] = sqrt(rmse_total[nn]/k)
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end
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@show deg, log10.(mean(rmse_total))
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# To get the correct RMSE
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# we should have used the following line in fact
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# but they differed just slightly and do not have difference in terms of trend
@@ -159,11 +158,12 @@ for deg in degset
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end
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## Plot
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plot(degset,log10.(RMSE_SS),label="ss")
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plot!(degset,log10.(RMSE_SP),label="sp",color=2)
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plot!(degset,log10.(RMSE_PS),label="ps",color=2,shape=:circle)
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plot!(degset,log10.(RMSE_PP),label="pp",color=3,xlabel="Maximum degree",ylabel="log10(RMSE) / ev",title="Order 1. Offsite H RMSE",size = (600,900))
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ylims!(-3.5, -1)
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plt = plot(degset,log10.(RMSE_SS),label="ss",ls=:dash)
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plot!(degset,log10.(RMSE_SP),label="sp",color=2,shape=:diamond,ls=:dash)
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plot!(degset,log10.(RMSE_PS),label="ps",color=2,shape=:rect,ls=:dash)
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plot!(degset,log10.(RMSE_PP),label="pp",color=4,ls=:dash,xlabel="Maximum degree",ylabel="log10(RMSE) / ev",title="Order 1. Offsite H RMSE",size = (600,900))
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ylims!(-3.7, -1)
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plt
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## PS1: I am assuming that nothing beyond the PP blocks is of interest at the current stage

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