def analyse_psiscaling(J2, size):
h = load_hamiltonian('J1J2', size=size, J2=J2)
configs, indexer = h.get_config_table()
H, e0, v0, configs = analyse_exact(h, do_printsign=False, num_eng=1)
rand = np.random.randn(len(v0))
func_list = [
lambda x: x**3, lambda x: x**5, lambda x: np.sinh(x),
lambda x: np.cosh(x)
]
labels = ['x^3', 'x^5', 'sinh(x)', 'cosh(x)']
x = np.arange(1, len(v0) + 1)
amp = abs(v0)
amp = np.sort(amp)[::-1]
plt.ion()
#plt.plot(np.log(amp))
plt.plot(x, amp)
for func in func_list:
amp2 = abs(func(rand))
amp2 = np.sort(amp2)[::-1] / np.linalg.norm(amp2)
plt.plot(x, amp2)
#plt.xscale('log')
plt.legend(['$v$'] + labels)
pdb.set_trace()
def show_prod(J2, size):
h = load_hamiltonian('J1J2', size=size, J2=J2)
H = h.get_mat()
c0, indexer = h.get_config_table()
e0, v0 = sps.linalg.eigsh(H, which='SA', k=1)
v0 = v0.ravel()
order = np.argsort(abs(v0))[::-1]
v0 = v0[order]
c0 = c0[order]
amp = np.abs(v0) * 100
nn = np.sum(c0 * np.roll(c0, 1, axis=1), axis=1)
nnn = np.sum(c0 * np.roll(c0, 2, axis=1), axis=1)
hndim = len(c0)
#wlist = np.linspace(0,hndim,2000)
#nn = dos(np.arange(hndim), wlist=wlist, weights=nn, eta=2.)*hndim
plt.ion()
plt.plot(np.arange(hndim), amp)
plt.fill_between(np.arange(hndim), nn, 0, alpha=0.5, color='r')
plt.fill_between(np.arange(hndim), nnn, 0, alpha=0.5, color='g')
plt.legend([
'$|\psi|$', r'$\sum_iS^z_i\times S^z_{i+1}$',
r'$\sum_iS^z_i\times S^z_{i+2}$'
])
plt.axhline(0, color='#999999')
pdb.set_trace()
plt.savefig('notes/img/prod_J2%sN%s.png' % (J2, size), dpi=300)
def bverr(self, subfolder, bench_id, extension='png'):
'''show energy error function.'''
# get configuration and foler
configfile = 'benchmarks/%s/config-sample.ini' % subfolder
folder = os.path.dirname(configfile)
config = load_config(configfile)
# modification to parameters
sys.path.insert(0, folder)
from config import modifyconfig_and_getnn
rbm = modifyconfig_and_getnn(config, bench_id)
EG = config['hamiltonian']['EG']
if EG is None:
h = load_hamiltonian(model='J1J2',
J1=1,
J2=config['hamiltonian']['J2'],
size=config['hamiltonian']['size'])
H, EG, v, configs = analyse_exact(h, do_printsign=False, num_eng=1)
context = DShow(
(5, 3.5),
filename="notes/img/ERRL-%s-%s.%s" %
(subfolder, bench_id,
extension)) if extension is not '-' else contextlib.ExitStack()
with context:
show_el(datafiles=['%s/el-%i.dat' % (folder, bench_id)],
nsite=np.prod(config['hamiltonian']['size']),
EG=EG,
legends=['id = %s' % bench_id],
show_err=True,
xlogscale=False)
def ed(self, J2, size, *tasks):
h = load_hamiltonian(model='J1J2', J1=1, J2=J2, size=size)
H, e, v, configs = analyse_exact(h, do_printsign=False, num_eng=1)
if 'v' in tasks: print('v = %s' % v)
if 'H' in tasks: print('H = %s' % H)
if 'sign' in tasks:
np.set_printoptions(threshold='nan')
print('sign = %s' % np.sign(v))
np.set_printoptions(threshold=1000)
def run_ed_msr(J2, nsite):
from qstate.classifier.rules import marshall_sign_rule
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
H = h.get_mat()
e0, v0 = sps.linalg.eigsh(H, which='SA', k=1)
v0 = v0.ravel()
marshall_signs = marshall_sign_rule(h.configs)
plt.ion()
scatter_vec_phase(v0[marshall_signs == 1], color='r')
scatter_vec_phase(v0[marshall_signs == -1], color='b')
plt.legend([r'$+$', r'$-$'])
pdb.set_trace()
def scale_ed_msr(size, J2MIN=0, J2MAX=1, NJ2=51, yscale='log'):
from qstate.classifier.rules import marshall_sign_rule
J2L = np.linspace(J2MIN, J2MAX, NJ2)
e0l, el = [], []
for i, J2 in enumerate(J2L):
h = load_hamiltonian('J1J2', size=size, J2=J2)
H = h.get_mat()
e0, v0 = sps.linalg.eigsh(H, which='SA', k=1)
v0 = v0.ravel()
configs, config_indexer = h.get_config_table()
marshall_signs = marshall_sign_rule(configs, size=size)
v = abs(v0) * marshall_signs
el.append(v.T.conj().dot(H.dot(v)))
e0l.append(e0.item())
print('%s' % i)
np.savetxt('notes/data/scale_msr_%s.dat' % (size, ), list(zip(el, e0l)))
plt.ion()
plt.plot(J2L, np.array(el) - e0l)
plt.xlabel(r'$J_2$')
plt.ylabel(r'$E-E_0$')
plt.yscale(yscale)
pdb.set_trace()
def analyse_symmetry(J2, size):
h = load_hamiltonian('J1J2', size=size, J2=J2)
configs, indexer = h.get_config_table()
H, e0, v0, configs = analyse_exact(h, do_printsign=False, num_eng=1)
rl = []
while True:
pos = np.random.choice(h.nsite, h.nsite // 2, replace=False)
config = np.ones(h.nsite, dtype='int32')
config[pos] *= -1
ind = indexer[packnbits_pm(config)]
if abs(v0[ind]) > 1e-5:
break
print('analysing space inversion symmetry v0[ind] = %s' % v0[ind])
config_ = space_inversion(config, h.size, directions=None)
ind_ = indexer[packnbits_pm(config_)]
ratio = v0[ind_] / v0[ind]
print('ratio = %s' % ratio)
rl.append(ratio)
print('analysing spin flip symmetry')
config_ = -config
ind_ = indexer[packnbits_pm(config_)]
ratio = v0[ind_] / v0[ind]
print('ratio = %s' % ratio)
rl.append(ratio)
print('analysing translate 1 symmetry')
config_ = translate(config, h.size, vec=(1, ))
ind_ = indexer[packnbits_pm(config_)]
ratio = v0[ind_] / v0[ind]
print('ratio = %s' % ratio)
rl.append(ratio)
pdb.set_trace()
return rl
def run_wanglei4(J2,
size,
optimize_method='adam',
momentum=0.,
do_plot_wf=True,
compare_to_exact=True,
learning_rate=1e-2):
from models.wanglei4 import WangLei4
# definition of a problem
h = load_hamiltonian('J1J2', size=size, J2=J2)
rbm = WangLei4(input_shape=size,
NF=8,
K=3,
num_features=[8],
version='conv',
itype='complex128')
# visualize network
from poornn import viznn
viznn(rbm, filename='data/%s.png' % rbm.__class__.__name__)
problem = ModelProbDef(hamiltonian=h,
rbm=rbm,
reg_method='delta',
sr_layerwise=False)
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
vmc.inverse_rate = 0.05
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method=optimize_method,
step_rate=learning_rate,
momentum=momentum)
# setup canvas
if do_plot_wf:
plt.ion()
fig = plt.figure(figsize=(10, 5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf:
vv = rbm.tovec(mag=h.mag)
vv = vv / np.linalg.norm(vv)
fig.clear()
plt.subplot(121)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv, vv_pre)
D = 0.8
plt.xlim(-D, D)
plt.ylim(-D, D)
plt.pause(0.01)
vv_pre = vv
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
num_iter = info['n_iter']
#optimizer.step_rate *= 0.995
if num_iter >= 1000:
break
print('\nRunning %s-th Iteration.' % (num_iter + 1))
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def run_rtheta_mlp_exp(J2, nsite, mlp_shape):
from models.rtheta_mlp_exp import RTheta_MLP_EXP
# definition of a problem
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
rbm = RTheta_MLP_EXP(input_shape=(h.nsite, ),
num_feature_hidden=4,
mlp_shape=mlp_shape,
use_msr=False,
theta_period=2)
#rbm = get_ground_toynn(h, mode='r-theta', train_amp=False, theta_period=nsite)
#pdb.set_trace()
problem = ModelProbDef(hamiltonian=h, rbm=rbm, reg_method='sd')
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
sr.rtheta_training_ratio = 30
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='adam',
step_rate=3e-3,
momentum=momentum)
# do_plot_wf = True
compare_to_exact = True
# setup canvas
# if do_plot_wf:
# plt.ion()
# fig=plt.figure(figsize=(10,5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
# if do_plot_wf:
# # vv = rbm.tovec(mag=h.mag)
# amp = []
# signs = []
# for config in h.configs:
# amp.append(rbm.forward(config))
# signs.append(rbm.get_sign(config))
# amp = np.asarray(amp)
# amp = amp/np.linalg.norm(amp)
# vv = amp*signs
# plt.clf()
# plt.subplot(121)
# compare_wf(amp, v0)
# plt.subplot(122)
# scatter_vec_phase(vv, vv_pre)
# plt.pause(0.1)
# vv_pre = vv
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
if info['n_iter'] >= 1000:
break
print('\nRunning %s-th Iteration.' % (info['n_iter'] + 1))
number = ''
for i in mlp_shape:
number += str(i)
number += '-'
np.savetxt('data/rtheta-mlp-exp-%sel-%s%s.dat' %
(number, h.nsite, 'p' if h.periodic else 'o'),
el,
fmt='%.10f%+.10fj')
def run_target_sign(J2, nsite):
'''Given Sign train amplitude, the arbituary state version.'''
from models.wanglei import WangLei
# definition of a problem
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
rbm = WangLei(input_shape=(h.nsite, ),
version='linear',
use_conv=True,
itype='complex128')
problem = ModelProbDef(hamiltonian=h,
rbm=rbm,
reg_method='delta',
sr_layerwise=True)
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
vmc.inverse_rate = 0.05
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='gd',
step_rate=1e-1,
momentum=momentum)
do_plot_wf = True
compare_to_exact = True
# setup canvas
if do_plot_wf:
plt.ion()
fig = plt.figure(figsize=(10, 5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf:
vv = rbm.tovec(mag=h.mag)
vv = vv / np.linalg.norm(vv)
fig.clear()
plt.subplot(121)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv, vv_pre)
plt.xlim(-0.3, 0.3)
plt.ylim(-0.3, 0.3)
plt.pause(0.01)
vv_pre = vv
num_iter = info['n_iter']
#optimizer.step_rate *= 0.995
if num_iter >= 200:
break
print('\nRunning %s-th Iteration.' % (num_iter + 1))
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def run_rtheta_switch(J2, nsite, rtheta_training_ratio, switch_step, momentum=0., \
do_plot_wf=True, compare_to_exact=True, do_check_sample=False):
from models.wanglei2 import WangLei2
# definition of a problem
h = load_hamiltonian('J1J2', size=(nsite, ), J1=1., J2=J2)
rbm = WangLei2(input_shape=(h.nsite, ),
num_feature_hidden=4,
use_msr=False,
theta_period=2,
with_linear=False,
itype='float64')
#rbm.thnn = get_exact_thnn4(fixed_var=True)
problem = ModelProbDef(hamiltonian=h, rbm=rbm, reg_method='sd')
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
vmc.inverse_rate = 0.05
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='gd',
step_rate=3e-3,
momentum=momentum)
# setup canvas
if do_plot_wf or do_check_sample:
plt.ion()
fig = plt.figure(figsize=(10, 5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False, num_eng=5)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
sr.rtheta_training_ratio = [rtheta_training_ratio[0], 0]
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf or do_check_sample:
amp = []
signs = []
for config in h.configs:
amp.append(rbm.forward(config))
signs.append(rbm.get_sign(config))
amp = np.asarray(amp)
amp = amp / np.linalg.norm(amp)
vv = amp * signs
#vv = rbm.tovec(mag=h.mag)
if do_plot_wf:
fig.clear()
plt.subplot(121)
#compare_wf(amp, v0)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv, vv_pre)
plt.xlim(-0.8, 0.8)
plt.ylim(-0.8, 0.8)
plt.pause(0.01)
vv_pre = vv
if do_check_sample:
fig.clear()
check_sample(rbm, h, problem.cache['samples'])
plt.pause(0.01)
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
k = info['n_iter']
if k >= 800:
break
if k % (2 * switch_step) < switch_step:
print('\nRunning %s-th Iteration (optimize amplitudes).' % (k + 1))
sr.rtheta_training_ratio = [rtheta_training_ratio[0], 0]
else:
print('\nRunning %s-th Iteration (optimize signs).' % (k + 1))
sr.rtheta_training_ratio = [0, rtheta_training_ratio[1]]
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def rbm_given_sign(J2, nsite):
from models.poorrbm import RBM
do_plot_wf = True
compare_to_exact = True
# definition of a problem
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
rbm = RBM(input_shape=(h.nsite, ),
num_feature_hidden=4,
itype='float64',
sign_func=sign_func_from_vec(h.configs, v0))
problem = ModelProbDef(hamiltonian=h,
rbm=rbm,
reg_method='delta',
sr_layerwise=False)
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
vmc.inverse_rate = 0.05
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='gd',
step_rate=3e-2,
momentum=momentum)
# setup canvas
if do_plot_wf:
plt.ion()
fig = plt.figure(figsize=(10, 5))
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf:
vv = rbm.tovec(mag=h.mag)
vv = vv / np.linalg.norm(vv)
fig.clear()
plt.subplot(121)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv, vv_pre)
plt.xlim(-0.3, 0.3)
plt.ylim(-0.3, 0.3)
plt.pause(0.01)
vv_pre = vv
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
num_iter = info['n_iter']
#optimizer.step_rate *= 0.995
if num_iter >= 2000:
break
print('\nRunning %s-th Iteration.' % (num_iter + 1))
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def run_rtheta_toy(J2, nsite, version, rtheta_training_ratio, momentum=0.):
from models.wanglei2 import WangLei2
from models.toythnn import ToyTHNN
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
if version == '2l':
from models.psnn_leo import PSNN
thnn = PSNN((nsite, ),
nf=16,
batch_wise=False,
period=2,
output_mode='theta')
elif version == '1l':
from qstate.classifier import PSNN
thnn = PSNN((nsite, ),
batch_wise=False,
period=2,
output_mode='theta',
use_msr=False)
elif version == 'toy':
thnn = ToyTHNN(h)
# definition of a problem
H = h.get_mat()
rbm = get_ground_toynn(h, thnn=thnn, train_amp=True, theta_period=2)
problem = ModelProbDef(hamiltonian=h,
rbm=rbm,
reg_method='sd',
sr_layerwise=False if version == 'toy' else True)
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
sr.rtheta_training_ratio = rtheta_training_ratio
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='gd',
step_rate=3e-3,
momentum=momentum)
do_plot_wf = True
compare_to_exact = True
# setup canvas
if do_plot_wf:
plt.ion()
fig = plt.figure(figsize=(10, 5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf:
vv = rbm.tovec(mag=h.mag)
vv = vv / np.linalg.norm(vv)
plt.clf()
plt.subplot(121)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv, vv_pre)
plt.pause(0.01)
vv_pre = vv
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
if info['n_iter'] >= 300:
plt.savefig('data/SIGN-N%s-J2%s-%s.png' % (nsite, J2, version))
break
print('\nRunning %s-th Iteration.' % (info['n_iter'] + 1))
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def run_rtheta(J2, nsite, rtheta_training_ratio, momentum=0.):
from models.wanglei2 import WangLei2
# definition of a problem
h = load_hamiltonian('J1J2', size=(nsite, ), J2=J2)
rbm = WangLei2(input_shape=(h.nsite, ),
num_feature_hidden=4,
use_msr=False,
theta_period=2,
with_linear=False,
itype='float64')
problem = ModelProbDef(hamiltonian=h, rbm=rbm, reg_method='sd')
sr, rbm, vmc = problem.sr, problem.rbm, problem.vmc
sr.rtheta_training_ratio = rtheta_training_ratio
optimizer = get_optimizer(wrt=rbm.get_variables(),
fprime=problem.compute_gradient,
optimize_method='gd',
step_rate=1e-2,
momentum=momentum)
do_plot_wf = True
compare_to_exact = True
do_check_sample = False
# setup canvas
if do_plot_wf or do_check_sample:
plt.ion()
fig = plt.figure(figsize=(10, 5))
# Exact Results
if compare_to_exact or compare_wf:
H, e0, v0, configs = analyse_exact(h, do_printsign=False, num_eng=10)
el = [] # to store energy
vv_pre = None
print('\nRunning 0-th Iteration.')
for info in optimizer:
# `sampels` and `opq_vals` are cached!
ei = problem.cache['opq_vals'][0]
if do_plot_wf or do_check_sample:
amps = []
thetas = []
signs = []
for config in h.configs:
amps.append(rbm.forward(config))
thetas.append(rbm.thnn.forward(config))
signs.append(np.exp(1j * thetas[-1]))
amps = np.asarray(amps)
amps = amps / np.linalg.norm(amps)
vv = amps * signs
#vv = rbm.tovec(mag=h.mag)
if do_plot_wf:
fig.clear()
plt.subplot(121)
#compare_wf(amps, v0)
compare_wf(vv, v0)
plt.subplot(122)
scatter_vec_phase(vv,
vv_pre,
winding=np.int32(
np.floor(np.array(thetas) / 2 / np.pi)))
plt.xlim(-0.8, 0.8)
plt.ylim(-0.8, 0.8)
plt.pause(0.01)
vv_pre = vv
if do_check_sample:
fig.clear()
check_sample(rbm, h, problem.cache['samples'])
plt.pause(0.01)
if compare_to_exact:
err = abs(e0 - ei) / (abs(e0) + abs(ei)) * 2
print('E/site = %s (%s), Error = %.4f%%' %
(ei / h.nsite, e0 / h.nsite, err * 100))
else:
print('E/site = %s' % (ei / h.nsite, ))
el.append(ei)
if info['n_iter'] >= 800:
break
print('\nRunning %s-th Iteration.' % (info['n_iter'] + 1))
np.savetxt('data/el-%s%s.dat' % (h.nsite, 'p' if h.periodic else 'o'), el)
pdb.set_trace()
def get_sign_func(J2, size):
# definition of a problem
h = load_hamiltonian('J1J2', size=size, J2=J2)
# Exact Results
H, e0, v0, configs = analyse_exact(h, do_printsign=False)
return sign_func_from_vec(configs, v0)
