def solve(self):
"""
Wrapper function for scipy.optimize.differential_evolution
"""
progress = []
def cb(xk, convergence):
progress.append(self.fun(xk))
# initialize number of points = popsize
space = Space([(0.,1.)]*len(self.bounds))
lhs = Lhs()
pop = np.asarray(lhs.generate(space.dimensions, self.popsize))
min_b, max_b = np.asarray(self.bounds).T
diff = max_b - min_b
pop = min_b + pop * diff
progress.append(np.min(np.apply_along_axis(self.fun, 1, pop)))
result = scipy_de(self.fun, self.bounds, popsize=1, maxiter = self.maxiter, tol=0.0001, disp=self.disp, callback=cb, init=pop)
self.x = result.x
self.fx = result.fun
f_calls = (np.arange(1,len(progress)+1)) * self.popsize
self.converge_data = np.vstack((f_calls, np.asarray(progress)))
self.solved = True
def lhs_sample(n_samples):
"""
Takes random n_samples with the lhs method.
Returns array x and y.
"""
x = np.array([])
y = np.array([])
# Makes the space of points which van be chosen from
space = Space([(-2., 1.), (-1.5, 1.5)])
# Chooses which kind oh lhs will be used
lhs = Lhs(lhs_type="classic", criterion=None)
coordinates = 0
# Generates n_samples withhi the chosen space
coordinates = lhs.generate(space.dimensions, n_samples)
# appends all x and y values to array
for coordinate in coordinates:
a = coordinate[0]
x = np.append(x, a)
b = coordinate[1]
y = np.append(y, b)
return x, y
def main():
args = getArgumentParser().parse_args()
space = [
skopt.space.Real(args.mzp_min,
args.mzp_max,
name='mzp',
prior='uniform'),
skopt.space.Real(args.mdh_min,
args.mdh_max,
name='mdh',
prior='uniform'),
skopt.space.Real(args.mdm_min,
args.mdm_max,
name='mdm',
prior='uniform'),
skopt.space.Real(args.gx_min,
args.gx_max,
name='g',
prior='log-uniform')
]
# sample data
lhs = Lhs(lhs_type="centered", criterion=None)
x = np.array(lhs.generate(space, args.n_samples, random_state=42))
# set up dataframe for writing to file
df = pd.DataFrame(data=x, columns=["mzp", "mdh", "mdm", "g"])
df.index.rename('dsid', inplace=True)
df.index = np.arange(args.dsid_start, args.dsid_start + len(df))
# write data to file
df.to_csv('./grid_hypercube.csv', header=False)
def create_sampler(self):
"""
Create the sampler
Returns
-------
"""
if self.method == "lhs":
self.lhs = Lhs(lhs_type=self.lhs_type,
criterion=self.criterion,
iterations=self.iterations)
else:
raise Exception("The specified sampling method ", self.method,
"is not supported.")
def __init__(self, bounds, method='latin'):
self.dimensions = len(bounds)
self.position = np.empty(self.dimensions)
self.velocity = np.zeros(self.dimensions)
self.pbest_position = np.empty(self.dimensions)
self.pbest_value = None
self.lowerbounds, self.upperbounds = np.asarray(bounds).T
# initialize positions
if method == 'random':
position = np.random.rand(self.dimensions)
elif method == 'latin':
space = Space([(0.,1.)]*self.dimensions)
lhs = Lhs()
position = np.asarray(lhs.generate(space.dimensions,1))[0]
min_b, max_b = np.asarray(bounds).T
diff = max_b - min_b
self.position = min_b + position * diff
def draw_latin_hypercube_samples(self, num_samples: int) -> list:
""" Draws an LHS-distributed sample from the search space """
if self.searchspace_size < num_samples:
raise ValueError("Can't sample more than the size of the search space")
if self.sampling_crit is None:
lhs = Lhs(lhs_type="centered", criterion=None)
else:
lhs = Lhs(lhs_type="classic", criterion=self.sampling_crit, iterations=self.sampling_iter)
param_configs = lhs.generate(self.dimensions(), num_samples)
indices = list()
normalized_param_configs = list()
for i in range(len(param_configs) - 1):
try:
param_config = self.normalize_param_config(param_configs[i])
index = self.find_param_config_index(param_config)
indices.append(index)
normalized_param_configs.append(param_config)
except ValueError:
""" Due to search space restrictions, the search space may not be an exact cartesian product of the tunable parameter values.
It is thus possible for LHS to generate a parameter combination that is not in the actual searchspace, which must be skipped. """
continue
return list(zip(normalized_param_configs, indices))
def test_lhs_random_state(criterion):
n_dim = 2
n_samples = 20
lhs = Lhs()
h = lhs._lhs_normalized(n_dim, n_samples, 0)
h2 = lhs._lhs_normalized(n_dim, n_samples, 0)
assert_array_equal(h, h2)
lhs = Lhs(criterion=criterion, iterations=100)
h = lhs.generate([
(0., 1.),
] * n_dim, n_samples, random_state=0)
h2 = lhs.generate([
(0., 1.),
] * n_dim, n_samples, random_state=0)
assert_array_equal(h, h2)
def cook_initial_point_generator(generator, **kwargs):
"""Cook a default initial point generator.
For the special generator called "random" the return value is None.
Parameters
----------
generator : "lhs", "sobol", "halton", "hammersly", "grid", "random" \
or InitialPointGenerator instance"
Should inherit from `skopt.sampler.InitialPointGenerator`.
kwargs : dict
Extra parameters provided to the generator at init time.
"""
if generator is None:
generator = "random"
elif isinstance(generator, str):
generator = generator.lower()
if generator not in [
"sobol", "halton", "hammersly", "lhs", "random", "grid",
"maxpro", "maxpro-gd"
]:
raise ValueError("Valid strings for the generator parameter "
" are: 'sobol', 'lhs', 'halton', 'hammersly',"
"'random', 'maxpro','maxpro-gd', or 'grid' not "
"%s." % generator)
elif not isinstance(generator, InitialPointGenerator):
raise ValueError("generator has to be an InitialPointGenerator."
"Got %s" % (str(type(generator))))
if isinstance(generator, str):
if generator == "sobol":
generator = Sobol()
elif generator == "halton":
generator = Halton()
elif generator == "hammersly":
generator = Hammersly()
elif generator == "lhs":
generator = Lhs()
elif generator == "grid":
generator = Grid()
elif generator == "random":
return None
elif generator == "maxpro":
generator = MaxPro(use_gradient=False)
elif generator == "maxpro-gd":
generator = MaxPro(use_gradient=True)
generator.set_params(**kwargs)
return generator
def test_lhs_pdist():
n_dim = 2
n_samples = 20
lhs = Lhs()
h = lhs._lhs_normalized(n_dim, n_samples, 0)
d_classic = spatial.distance.pdist(np.array(h), 'euclidean')
lhs = Lhs(criterion="maximin", iterations=100)
h = lhs.generate([
(0., 1.),
] * n_dim, n_samples, random_state=0)
d = spatial.distance.pdist(np.array(h), 'euclidean')
assert np.min(d) > np.min(d_classic)
def test_lhs_criterion(lhs_type, criterion):
lhs = Lhs(lhs_type=lhs_type, criterion=criterion, iterations=100)
samples = lhs.generate([
(0., 1.),
] * 2, 200)
assert len(samples) == 200
assert len(samples[0]) == 2
samples = lhs.generate([("a", "b", "c")], 3)
assert samples[0][0] in ["a", "b", "c"]
samples = lhs.generate([("a", "b", "c"), (0, 1)], 1)
assert samples[0][0] in ["a", "b", "c"]
assert samples[0][1] in [0, 1]
samples = lhs.generate([("a", "b", "c"), (0, 1)], 3)
assert samples[0][0] in ["a", "b", "c"]
assert samples[0][1] in [0, 1]
from skopt.sampler import Lhs
space = Space([
(0.0395, 0.0790, 0.1185, 0.0000),
(0, 1e-2, 1e-4, 1e-8),
(0.08750, 0.13125, 0.17500, 0.21875, 0.26250, 0.00000)
])
n_samples = 100
rand = space.rvs(NSAMP)
len(rand)
lhs = Lhs(lhs_type="centered", criterion=None)
lhs.generate(space.dimensions, n_samples)
# if monet.isNotebook():
# (USR, LND) = ('dsk', 'PAN')
# else:
# (USR, LND) = (sys.argv[1], sys.argv[2])
# EXPS = aux.getExps(LND)
# (PT_ROT, _, _, _, _, _) = aux.selectPath(USR, EXPS[0], LND)
# expsToPlot = aux.EXPS_TO_PLOT
###############################################################################
# Generate keycards
###############################################################################
# kCats = [i[0] for i in aux.DATA_HEAD]
# scalers = [aux.DATA_SCA[i] for i in kCats]
# splitExps = [i.split('_')[1:] for i in expsToPlot]
#############################################################################
# Sobol'
# ------
sobol = Sobol()
x = sobol.generate(space.dimensions, n_samples)
plot_searchspace(x, "Sobol'")
pdist_data.append(pdist(x).flatten())
x_label.append("sobol'")
#############################################################################
# Classic Latin hypercube sampling
# --------------------------------
lhs = Lhs(lhs_type="classic", criterion=None)
x = lhs.generate(space.dimensions, n_samples)
plot_searchspace(x, 'classic LHS')
pdist_data.append(pdist(x).flatten())
x_label.append("lhs")
#############################################################################
# Centered Latin hypercube sampling
# ---------------------------------
lhs = Lhs(lhs_type="centered", criterion=None)
x = lhs.generate(space.dimensions, n_samples)
plot_searchspace(x, 'centered LHS')
pdist_data.append(pdist(x).flatten())
x_label.append("center")
new_file.close()
print('Wrote file to ',fname)
omega_m_limits = [0.2,0.4]
h_limits = [0.6,0.8]
sigma_8_limits = [0.7,0.8]
f_esc_limits = [0.01,1.]
C_ion_limits = [0.,1.]
D_ion_limits = [0.,2.]
limits = np.array([omega_m_limits,h_limits,sigma_8_limits,f_esc_limits,C_ion_limits,D_ion_limits])
lhs = Lhs(lhs_type="classic", criterion=None)
np.random.seed(123456789)
omega_m, h, sigma_8, f_esc, C_ion, D_ion = np.array(lhs.generate(limits, n_samples= 1000)).T
file = open("simfast21.ini")
ini_file = file.readlines()
file.close()
for i in range(len(omega_m)):
dirname = 'runs/run'+str(i)
os.system('mkdir '+dirname)
fname = dirname+'/simfast21.ini'
class Sampler_SkoptSampler(Sampler):
""" Sampler using skopt.sampler class
Attributes
----------
"""
def __init__(self, samplerDict):
"""Sampler_SkoptSampler class constructor
Parameters
----------
"""
Sampler.__init__(self, samplerDict)
# type
self.type = "SkoptSampler"
# method: LHS, Sobol, Halton, and Hammersly
self.method = None
# dictionary for the options of the particular method
self.options = {}
# load sampler configuration from dictionary
self.load_from_sampler_dict()
# create the sampler
self.lhs = None
self.create_sampler()
def load_from_sampler_dict(self):
""" Load configuration of the sampler from the dictionary
Returns
-------
"""
#get the method: e.g., lhs
self.method = self.samplerDict['method']
#load options
self.lhs_type = "classic"
if "lhs_type" in self.samplerDict:
self.lhs_type = self.samplerDict["lhs_type"]
self.criterion = "maximin"
if "criterion" in self.samplerDict:
self.criterion = self.samplerDict["criterion"]
self.iterations = 1000
if "iterations" in self.samplerDict:
self.iterations = self.samplerDict["iterations"]
def create_sampler(self):
"""
Create the sampler
Returns
-------
"""
if self.method == "lhs":
self.lhs = Lhs(lhs_type=self.lhs_type,
criterion=self.criterion,
iterations=self.iterations)
else:
raise Exception("The specified sampling method ", self.method,
"is not supported.")
def generate(self, space, n_samples):
"""
Generate and return samples
Parameters
----------
space: Space object
n_samples: int
number of samples to draw
Returns
-------
array[n_samples, n_parameters]
"""
return self.lhs.generate(space.dimensions, n_samples)
import sys
import numpy as np
import matplotlib.pyplot as plt
from skopt.space import Space
from skopt.sampler import Lhs
import cantera as ct
gas = ct.Solution('../mech/JP10skeletal.cti')
lhs = Lhs(lhs_type="classic", criterion=None)
space = Space([(1100., 1500.), (1., 10.), ('0', '1')])
nsamples = 30
x = lhs.generate(space.dimensions, nsamples)
comp = ['C10H16:0.01,n2:0.99', 'C10H16:0.02,n2:0.99']
for i in range(nsamples):
gas.TPX = x[i][0], x[i][1] * ct.one_atm, comp[np.int16(x[i][2])]
r = ct.IdealGasConstPressureReactor(gas)
sim = ct.ReactorNet([r])
time = 0.0
states = ct.SolutionArray(gas, extra=['t'])
print('%10s %10s %10s %14s' % ('t [s]', 'T [K]', 'P [Pa]', 'u [J/kg]'))
for n in range(50):
states.append(r.thermo.state, t=time)
time += 1.e-4
def test_opt(env):
"""Wrapper for calling the optimizer."""
# First day of historical data
first_day = env.init_date
run_params = env.bucky_params.opt_params
if run_params.rolling:
first_day -= datetime.timedelta(days=6)
# Environment admin2 and admin1 values
env_adm2 = xp.to_cpu(env.g_data.adm2_id)
env_adm1 = xp.to_cpu(env.g_data.adm1_id)
# Get historical case and death data
hist = case_death_df(first_day, env_adm2)
# Make sure environment end date is same as amount of available historical data
days_of_hist_data = (
hist.index.get_level_values(-1).max() - datetime.datetime(
env.init_date.year, env.init_date.month, env.init_date.day)).days
if days_of_hist_data != env.base_mc_instance.t_max:
env.base_mc_instance.set_tmax(days_of_hist_data)
# Get environment admin2 mask
good_fips = hist.index.get_level_values("adm2").unique()
fips_mask = xp.array(np.isin(env_adm2, good_fips))
# Extract case and death data from data frame
hist_daily_cases = xp.array(
hist.cumulative_reported_cases.unstack().to_numpy())
hist_daily_deaths = xp.array(hist.cumulative_deaths.unstack().to_numpy())
# Sum case and death data to state
hist_daily_cases = env.g_data.sum_adm1(hist_daily_cases, mask=fips_mask)
hist_daily_deaths = env.g_data.sum_adm1(hist_daily_deaths, mask=fips_mask)
# Hosp data
hist = hosp_df(first_day, env_adm1)
# Move hosp data to xp array where 0-index is admin1 id
hist_daily_h_df = hist.previous_day_admission_adult_covid_confirmed.unstack(
)
hist_daily_h = xp.zeros(
(hist_daily_h_df.index.max() + 1, len(hist_daily_h_df.columns)))
hist_daily_h[hist_daily_h_df.index.to_numpy()] = hist_daily_h_df.to_numpy()
# Collect case, death, hosp data
hist_vals = [hist_daily_cases, hist_daily_deaths, hist_daily_h]
# Get rid of negatives
hist_vals = [xp.clip(vals, a_min=0.0, a_max=None) for vals in hist_vals]
# Rolling mean
if run_params.rolling:
from ..util.rolling_mean import rolling_mean
hist_vals = [rolling_mean(vals, axis=1) for vals in hist_vals]
# Spline
if run_params.spline:
from ..util.spline_smooth import fit
hist_vals = [fit(vals, df=run_params.dof) for vals in hist_vals]
# Get rid of negatives
hist_vals = [xp.clip(vals, a_min=0.0, a_max=None) for vals in hist_vals]
from functools import partial
from scipy.optimize import minimize
from skopt import gp_minimize
from skopt.sampler import Lhs
from skopt.space import Real
# Opt function params
opt_params, keys = extract_values(env.bucky_params.base_params,
env.bucky_params.opt_params.to_opt)
# Opt function args
args = (env, hist_vals, fips_mask, keys)
# Global search initialization
lhs = Lhs(criterion="maximin", iterations=10000)
# Best objective value
best_opt = np.inf
best_params = opt_params
# 2 Global searches
for (lower, upper) in run_params.global_multipliers:
dims = [Real(lower * p, upper * p) for p in best_params]
res = gp_minimize(
partial(opt_func, args=args),
dimensions=dims,
x0=best_params.tolist(),
initial_point_generator=lhs,
# callback=[checkpoint_saver],
n_calls=run_params.global_calls,
verbose=True,
)
if res.fun < best_opt:
best_opt = res.fun
best_params = np.array(res.x)
# Local search
result = minimize(
opt_func,
best_params,
(args, ),
options={
"disp": True,
"adaptive": True,
"maxfev": run_params.local_calls
}, # local_calls
method="Nelder-Mead",
)
if result.fun < best_opt:
best_opt = result.fun
best_params = np.array(result.x)
print("Best Opt:", best_opt)
print("Best Params:", best_params)
with open(BEST_OPT_FILE, "w") as f:
best_params = [p.item() for p in best_params]
new_params = rebuild_params(best_params, keys)
yaml.safe_dump(new_params, f)
with open(VALUES_FILE, "a") as f:
f.write("{},{}\n".format(run_params.ID, best_opt))
def _generate(self):
lhs = Lhs(criterion=self.criterion, iterations=self.iterations)
X = lhs.generate(self.search_dims, self.size, random_state=self.rng)
return X
def solve(self):
"""
Solves the optimization problem through simulated annealing algorithm
"""
# provide an initial state and temperature
time = 0
current_temp = self.initial_temp
space = Space([(0.,1.)]*len(self.bounds))
lhs = Lhs()
current_state = np.asarray(lhs.generate(space.dimensions, self.popsize))
min_b, max_b = np.asarray(self.bounds).T
diff = max_b - min_b
current_state = min_b + current_state * diff
# evaluate current state
energy = np.apply_along_axis(self.fun, 1, current_state)
best_energy = np.min(energy)
best_state = current_state[np.argmin(energy)]
evals = self.popsize
# variables for storing progress data
progress = []
for i in range(self.maxiter):
for j in range(len(current_state)):
# generate a new state, randomly chosen neighbour of state
if self.get_neighbor == 'cauchy':
neighbor = SimulatedAnnealing.get_neighbor_cauchy(current_state[j], diff, min_b, max_b, current_temp, self.qv)
else:
neighbor = SimulatedAnnealing.get_neighbor_normal(current_state[j], diff, self.initial_temp, current_temp)
# evaluate new neighbor
energy_neighbor = self.fun(neighbor)
delta = energy_neighbor - energy[j]
evals += 1
if delta < 0:
current_state[j] = neighbor
energy[j] = energy_neighbor
if energy[j] < best_energy:
best_energy = energy[j]
best_state = current_state[j]
else:
if np.random.rand() < np.exp(-delta/current_temp):
current_state[j] = neighbor
energy[j] = energy_neighbor
progress.append(best_energy)
time += 1
current_temp = self.temp_func(self.initial_temp, current_temp, time, self.qv)
if self.disp:
print(f"simulated annealing step {i}: f(x)= {best_energy}")
if evals > self.max_eval:
break
f_calls = np.arange(1, i+2) * self.popsize
self.converge_data = np.vstack((f_calls, np.asarray(progress)))
self.solved = True
self.x = best_state
self.fx = best_energy
inv_G_ls = [0.35938137 * T] #[2.58*10**(-3)*T]
repeat = 1
for G, inv_G in enumerate(inv_G_ls):
y = lambda site_w: OpenQT(s,
d,
np.array(site_w[:(s - 2) * d]),
np.array(site_w[(s - 2) * d:]),
Gamma=1 / inv_G,
n_p=3).T_r(epabs=0.001)[0] # object function
note = "inv_Gamma = {0}T".format(inv_G / T)
print(note)
filename = '{0}s_{1}d_job_{2}_{3}invG_kappa_0.01.csv'.format(
s, d, job, inv_G / T)
for itr in range(repeat):
lhs = Lhs(lhs_type="classic", criterion=None)
X_init = lhs.generate(bound, num_init)
print(X_init)
Y_init = np.array([y(X_i) for X_i in X_init])
print(Y_init)
# Run BO
r = gp_minimize(
y, # negative for maximize; positive for minimize
bound,
base_estimator=gpr,
acq_func='LCB', # expected improvement
kappa=0.01,
# xi=0.01, # exploitation-exploration trade-off
# acq_optimizer="sampling", # for the periodic kernel
n_calls=num_itr, # number of iterations (s-2)*d*100
def test_lhs_centered():
lhs = Lhs(lhs_type="centered")
samples = lhs.generate([
(0., 1.),
] * 3, 3)
assert_almost_equal(np.sum(samples), 4.5)
