karthik/Calculations
1
0
Fork 0
Code Issues Pull Requests repo.project_board Releases Wiki Activity

Minor modification to gradient descent script.

Browse Source
This commit is contained in:
Karthik 2025-04-01 20:09:56 +02:00
parent 2db46c1faf
commit 767cec6d86
2 changed files with 47 additions and 47 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

34
Dipolar-Gas-Simulator/+Scripts/run_locally.m
View File

@ -6,36 +6,33 @@
OptionsStruct = struct; OptionsStruct = struct;
OptionsStruct.NumberOfAtoms = 5E5; OptionsStruct.NumberOfAtoms = 8E4;
OptionsStruct.DipolarPolarAngle = deg2rad(0); OptionsStruct.DipolarPolarAngle = deg2rad(0);
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 88.5; OptionsStruct.ScatteringLength = 95;
AspectRatio = 2.0; OptionsStruct.TrapFrequencies = [30, 60, 90];
HorizontalTrapFrequency = 125;
VerticalTrapFrequency = AspectRatio * HorizontalTrapFrequency;
OptionsStruct.TrapFrequencies = [HorizontalTrapFrequency, HorizontalTrapFrequency, VerticalTrapFrequency];
OptionsStruct.TrapPotentialType = 'Harmonic'; OptionsStruct.TrapPotentialType = 'Harmonic';
OptionsStruct.NumberOfGridPoints = [64, 64, 32]; OptionsStruct.NumberOfGridPoints = [256, 128, 128];
OptionsStruct.Dimensions = [18, 18, 18]; OptionsStruct.Dimensions = [30, 20, 20];
OptionsStruct.UseApproximationForLHY = true; OptionsStruct.UseApproximationForLHY = true;
OptionsStruct.IncludeDDICutOff = true; OptionsStruct.IncludeDDICutOff = true;
OptionsStruct.CutoffType = 'Cylindrical'; OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'EnergyMinimization'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution' | 'EnergyMinimization' OptionsStruct.SimulationMode = 'EnergyMinimization'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution' | 'EnergyMinimization'
OptionsStruct.MaxIterationsForGD = 1E5; OptionsStruct.MaxIterationsForGD = 2E4;
OptionsStruct.TimeStepSize = 1E-4; % in s % OptionsStruct.TimeStepSize = 1E-4; % in s
OptionsStruct.MinimumTimeStepSize = 2E-10; % in s % OptionsStruct.MinimumTimeStepSize = 2E-10; % in s
OptionsStruct.TimeCutOff = 2E6; % in s % OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; % OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-08; % OptionsStruct.ResidualTolerance = 1E-08;
OptionsStruct.NoiseScaleFactor = 0.01; OptionsStruct.NoiseScaleFactor = 0.01;
OptionsStruct.PlotLive = true; OptionsStruct.PlotLive = true;
OptionsStruct.JobNumber = 0; OptionsStruct.JobNumber = 0;
OptionsStruct.RunOnGPU = false; OptionsStruct.RunOnGPU = false;
OptionsStruct.SaveData = true; OptionsStruct.SaveData = true;
OptionsStruct.SaveDirectory = sprintf('./Results/Data_3D/AspectRatio%s', strrep(num2str(AspectRatio), '.', '_')); OptionsStruct.SaveDirectory = './Results/Data_3D/GradientDescent';
options = Helper.convertstruct2cell(OptionsStruct); options = Helper.convertstruct2cell(OptionsStruct);
clear OptionsStruct clear OptionsStruct
@ -65,10 +62,11 @@ SaveDirectory = './Results/Data_3D/CompleteLHY/BeyondSSD_Honeycomb';
JobNumber = 0; JobNumber = 0;
Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber) Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber)
%% - Plot GS wavefunction %% - Plot GS wavefunction
% SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio2_8'; SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio2_8';
% SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio3_7'; % SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio3_7';
SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio3_8'; % SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio3_8';
JobNumber = 0; % SaveDirectory = './Results/Data_3D/ApproximateLHY/AspectRatio3_9';
JobNumber = 2;
Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber) Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber)
%% %%
% SaveDirectory = './Results/Data_3D/ApproximateLHY/BeyondSSD_SSD'; % SaveDirectory = './Results/Data_3D/ApproximateLHY/BeyondSSD_SSD';

60
Dipolar-Gas-Simulator/+Simulator/@DipolarGas/runGradientDescent.m
View File

@ -3,8 +3,8 @@ function [psi] = runGradientDescent(this,psi,Params,Transf,VDk,V,Observ)
format long; format long;
% Convergence Criteria: % Convergence Criteria:
epsilon = 1E-8; epsilon = 1E-6;
alpha = 1E-4; alpha = 1E-3;
beta = 0.9; beta = 0.9;
Observ.residual = 1; Observ.residual = 1;
@ -30,36 +30,38 @@ function [psi] = runGradientDescent(this,psi,Params,Transf,VDk,V,Observ)
if residual < epsilon if residual < epsilon
fprintf('Convergence reached at iteration %d\n', idx); fprintf('Convergence reached at iteration %d\n', idx);
break; break;
end else
% Update psi using heavy-ball method % Update psi using heavy-ball method
psi_new = (1 + beta) * psi - alpha * J - beta * psi_old; psi_new = (1 + beta) * psi - alpha * J - beta * psi_old;
psi_old = psi; psi_old = psi;
% Normalize psi
Norm = sum(abs(psi_new(:)).^2) * Transf.dx * Transf.dy * Transf.dz;
psi = sqrt(Params.N) * psi_new / sqrt(Norm);
if mod(idx,100) == 0
% Collect change in energy
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
Observ.EVec = [Observ.EVec E];
% Collect chemical potentials
Observ.mucVec = [Observ.mucVec muchem];
% Collect residuals
Observ.residual = [Observ.residual residual];
Observ.res_idx = Observ.res_idx + 1;
if this.PlotLive % Normalize psi
Plotter.plotLive(psi,Params,Transf,Observ) Norm = sum(abs(psi_new(:)).^2) * Transf.dx * Transf.dy * Transf.dz;
drawnow psi = sqrt(Params.N) * psi_new / sqrt(Norm);
% Write output at specified intervals
if mod(idx,100) == 0
% Collect change in energy
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
Observ.EVec = [Observ.EVec E];
% Collect chemical potentials
Observ.mucVec = [Observ.mucVec muchem];
% Collect residuals
Observ.residual = [Observ.residual residual];
Observ.res_idx = Observ.res_idx + 1;
if this.PlotLive
Plotter.plotLive(psi,Params,Transf,Observ)
drawnow
end
save(sprintf(strcat(this.SaveDirectory, '/Run_%03i/psi_gs.mat'),Params.njob),'psi','muchem','Observ','Transf','Params','VDk','V');
end end
save(sprintf(strcat(this.SaveDirectory, '/Run_%03i/psi_gs.mat'),Params.njob),'psi','muchem','Observ','Transf','Params','VDk','V');
end end
end end