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If MC resampling is desired, now a hardcoded conditional is needed to activate this every $N$'th optimization step: resample=(i%N==0) (where $i$ is the optimization iteration)
The number of MC steps $n$ to be taken also requires addition of a line: model.equilibrium_steps = n
Solution
This should ideally being done by passing arguments, something like: resample_every = N resample_steps = n
Defaulting to $N=iternum+1$ (no resampling) and $n=0$ (perform no extra MC steps).
---Note that setting$0 < N \leq iternum$will have no effect if$n=0$. It is still preferable to have default$N$as$iternum+1$to avoid unnecessarily entering resampling loop.---
That way, first a calculation without optimization can be performed to obtain the autocorrelation time $\tau$ of the MC steps: python src/Fermion_He_3D_variable_NN.py --iternum 0 --batch 5000
(fit exponential with decay rate $\tau$ to autocorrelation of data in output file energy_equilibration.txt)
This $\tau$ can then be used to determine $n$ for a calculation with optimization: python src/Fermion_He_3D_variable_NN.py --iternum 1000 --batch 5000 --resample_steps n --resample_every N
The text was updated successfully, but these errors were encountered:
Problem
If MC resampling is desired, now a hardcoded conditional is needed to activate this every$N$ 'th optimization step:
$i$ is the optimization iteration)$n$ to be taken also requires addition of a line:
resample=(i%N==0)
(whereThe number of MC steps
model.equilibrium_steps = n
Solution
This should ideally being done by passing arguments, something like:
resample_every = N
resample_steps = n
Defaulting to$N=iternum+1$ (no resampling) and $n=0$ (perform no extra MC steps).$0 < N \leq iternum$ will have no effect if $n=0$ . It is still preferable to have default $N$ as $iternum+1$ to avoid unnecessarily entering resampling loop.---
---Note that setting
That way, first a calculation without optimization can be performed to obtain the autocorrelation time$\tau$ of the MC steps:
$\tau$ to autocorrelation of data in output file
python src/Fermion_He_3D_variable_NN.py --iternum 0 --batch 5000
(fit exponential with decay rate
energy_equilibration.txt
)This$\tau$ can then be used to determine $n$ for a calculation with optimization:
python src/Fermion_He_3D_variable_NN.py --iternum 1000 --batch 5000 --resample_steps n --resample_every N
The text was updated successfully, but these errors were encountered: