def to_csv(self, data_all):
if self.store:
if isinstance(self.store, str):
path = self.store
else:
path = os.getcwd()
file_new_name = "_".join((str(self.pop), str(self.gen),
str(self.mutate_prob), str(self.mate_prob),
str(time.time())))
try:
st = Store(path)
st.to_csv(data_all, file_new_name)
print("store data to ", path, file_new_name)
except (IOError, PermissionError):
st = Store(os.getcwd())
st.to_csv(data_all, file_new_name)
print("store data to ", os.getcwd(), file_new_name)
y_predict,
marker='^',
s=50,
alpha=0.7,
c='green',
linewidths=None,
edgecolors='blue')
ax.plot(x, y_predict, '-', ms=5, lw=2, alpha=0.7, color='green')
# ax.plot([min(x), max(x)], [min(x), max(x)], '--', ms=5, lw=2, alpha=0.7, color='black')
plt.xlabel(strx)
plt.legend((l1, l2), (stry1, stry2), loc='upper left')
plt.ylabel(stry)
plt.show()
a = np.arange(2000, 2020)
scatter2(a,
y[::-1],
y_[::-1],
strx='year',
stry="y($10^4$T)",
stry1='y_true($10^4$T)',
stry2='y_predict($10^4$T)')
# #导出
print(x_frame.iloc[:, :].columns.values[ba.support_])
store.to_pkl_sk(ba.estimator_, "model")
all_import["y_predict"] = y_
store.to_csv(all_import, "predict")
data225_import = data_import.iloc[np.where(data_import['group_number'] == 225)[0]]
data221_import = data_import.iloc[np.where(data_import['group_number'] == 221)[0]]
data216_225_221import = pd.concat((data216_import, data225_import, data221_import))
list_name = data.csv.list_name
list_name = list_name.values.tolist()
list_name = [[i for i in _ if isinstance(i, str)] for _ in list_name]
# grid = itertools.product(list_name[2],list_name[12],list_name[32])
select = ['volume', 'radii covalent', 'electronegativity(martynov&batsanov)', 'electron number']
select = ['volume'] + [j + "_%i" % i for j in select[1:] for i in range(2)]
X_frame = data225_import[select]
y_frame = data225_import['exp_gap']
X = X_frame.values
y = y_frame.values
name, rep_name = getName(X_frame)
x0, x1, x2, x3, x4, x5, x6 = rep_name
expr01 = sympy.log(1 / (x1 + x2) * x0 / (x5 + x6) * x4 / x3)
results = calculateExpr(expr01, pset=None, x=X, y=y, score_method=r2_score, add_coeff=True,
del_no_important=False, filter_warning=True, terminals=rep_name,
inter_add=True, iner_add=False, random_add=False)
print(select)
print(results)
store.to_csv(data216_225_221import, "plot221225216")
def eaSimple(population,
toolbox,
cxpb,
mutpb,
ngen,
stats=None,
halloffame=None,
verbose=__debug__,
pset=None,
store=True):
"""
Parameters
----------
population
toolbox
cxpb
mutpb
ngen
stats
halloffame
verbose
pset
store
Returns
-------
"""
rst = random.getstate()
len_pop = len(population)
logbook = Logbook()
logbook.header = ['gen', 'pop'] + (stats.fields if stats else [])
# Evaluate the individuals with an invalid fitness
invalid_ind = [ind for ind in population if not ind.fitness.valid]
# fitnesses = toolbox.map(toolbox.evaluate, invalid_ind)
fitnesses = toolbox.parallel(iterable=population)
for ind, fit, in zip(invalid_ind, fitnesses):
ind.fitness.values = fit[0],
ind.expr = fit[1]
ind.dim = fit[2]
ind.withdim = fit[3]
add_ind = toolbox.select_kbest_target_dim(population, K_best=0.1 * len_pop)
if halloffame is not None:
halloffame.update(add_ind)
record = stats.compile(population) if stats else {}
logbook.record(gen=0, nevals=len(population), **record)
if verbose:
print(logbook.stream)
data_all = {}
# Begin the generational process
random.setstate(rst)
for gen in range(1, ngen + 1):
rst = random.getstate()
if store:
rst = random.getstate()
target_dim = toolbox.select_kbest_target_dim.keywords['dim_type']
subp = functools.partial(sub,
subed=pset.rep_name_list,
subs=pset.real_name_list)
data = {
"gen{}_pop{}".format(gen, n): {
"gen":
gen,
"pop":
n,
"score":
i.fitness.values[0],
"expr":
str(subp(i.expr)),
"with_dim":
1 if i.withdim else 0,
"dim_is_target_dim":
1 if i.dim in target_dim else 0,
"gen_dim":
"{}{}".format(gen, 1 if i.withdim else 0),
"gen_target_dim":
"{}{}".format(gen, 1 if i.dim in target_dim else 0),
"socre_dim":
i.fitness.values[0] if i.withdim else 0,
"socre_target_dim":
i.fitness.values[0] if i.dim in target_dim else 0,
}
for n, i in enumerate(population) if i is not None
}
data_all.update(data)
random.setstate(rst)
# select_gs the next generation individuals
offspring = toolbox.select_gs(population, len_pop)
# Vary the pool of individuals
offspring = varAnd(offspring, toolbox, cxpb, mutpb)
rst = random.getstate()
# Evaluate the individuals with an invalid fitness
invalid_ind = [ind for ind in offspring if not ind.fitness.valid]
# fitnesses = toolbox.map(toolbox.evaluate, invalid_ind)
# fitnesses = parallelize(n_jobs=3, func=toolbox.evaluate, iterable=invalid_ind, respective=False)
fitnesses = toolbox.parallel(iterable=invalid_ind)
for ind, fit in zip(invalid_ind, fitnesses):
ind.fitness.values = fit[0],
ind.expr = fit[1]
ind.dim = fit[2]
ind.withdim = fit[3]
add_ind = toolbox.select_kbest_target_dim(population,
K_best=0.1 * len_pop)
add_ind2 = toolbox.select_kbest_dimless(population,
K_best=0.2 * len_pop)
add_ind3 = toolbox.select_kbest(population, K_best=5)
offspring += add_ind
offspring += add_ind2
offspring += add_ind3
# Update the hall of fame with the generated individuals
if halloffame is not None:
halloffame.update(add_ind)
if len(halloffame.items
) > 0 and halloffame.items[-1].fitness.values[0] >= 0.95:
print(halloffame.items[-1])
print(halloffame.items[-1].fitness.values[0])
break
# Replace the current population by the offspring
population[:] = offspring
# Append the current generation statistics to the logbook
record = stats.compile(population) if stats else {}
logbook.record(gen=gen, nevals=len(population), **record)
if verbose:
print(logbook.stream)
random.setstate(rst)
store = Store()
store.to_csv(data_all)
return population, logbook
mp = self.pareto_method()
partotimei = list(list(zip(*mp))[0])
tabletimei = np.vstack([self.resultcv_score_all_0, self.resultcv_score_all_1, self.resultcv_score_all_2,
self.resultcv_score_all_3, self.resultcv_score_all_4, self.resultcv_score_all_5,
self.resultcv_score_all_6, self.resultcv_score_all_7])
parto.extend(partotimei)
table.append(tabletimei)
table = np.array(table)
means_y = np.mean(table, axis=0).T
result = pd.DataFrame(means_y)
all_mean = np.mean(means_y, axis=1).T
select_support = np.zeros(len(index_slice))
mean_parto_index = self._pareto(means_y)
select_support[mean_parto_index] = 1
result["all_mean"] = all_mean
result["parto_support"] = select_support
result['index_all_abbr'] = index_all_abbr
result['index_all_name'] = index_all_name
result['index_all'] = index_slice
result = result.sort_values(by="all_mean", ascending=False)
store.to_csv(result, "result")
# tables = table.reshape((-1, table.shape[2]), order="F").T
# store.to_csv(tables, "100_times_y")
method_all = [
'SVR-set', "GPR-set", "RFR-em", "AdaBR-em", "DTR-em", "LASSO-L1", "BRR-L1"
]
methods = method_pack(method_all=method_all, me="reg", gd=True)
pre_y = []
ests = []
for name, methodi in zip(method_all, methods):
methodi.cv = 5
methodi.scoring = "neg_root_mean_squared_error"
gd = methodi.fit(X=x_, y=y_)
score = gd.best_score_
est = gd.best_estimator_
print(name, "neg_root_mean_squared_error", score)
score = cross_val_score(
est,
X=x_,
y=y_,
scoring="r2",
).mean()
print(name, "r2", score)
pre_yi = est.predict(x)
pre_y.append(pre_yi)
ests.append(est)
store.to_pkl_pd(est, name)
pre_y.append(y)
pre_y = np.array(pre_y).T
pre_y = pd.DataFrame(pre_y)
pre_y.columns = method_all + ["realy_y"]
store.to_csv(pre_y, "wrtem_result")
# #
all_import_title = com_data.join(ele_ratio)
all_import_title = all_import_title.join(depart_elements_table)
"""add ele density"""
select2 = ['electron number_0', 'electron number_1', 'cell volume']
x_rame = (all_import_title['electron number_0'] +
all_import_title['electron number_1']
) / all_import_title['cell volume']
all_import_title.insert(
10,
"electron density",
x_rame,
)
store.to_csv(all_import_title, "all_import_title", reverse=False)
all_import = all_import_title.drop([
'name_number', 'name_number', "name", "structure", "structure_type",
"space_group", "reference", 'material_id', 'composition', "com_0",
"com_1"
],
axis=1)
all_import = all_import.iloc[np.where(
all_import['group_number'] == 225)[0]]
all_import = all_import.drop(['group_number'], axis=1)
store.to_csv(all_import, "all_import", reverse=False)
def get_abbr():
name = ["electron density", "cell density", 'cell volume', "component"]
def eaSimple(population,
toolbox,
cxpb,
mutpb,
ngen,
stats=None,
halloffame=None,
verbose=__debug__,
pset=None,
store=True):
"""
Parameters
----------
population
toolbox
cxpb
mutpb
ngen
stats
halloffame
verbose
pset
store
Returns
-------
"""
rst = random.getstate()
len_pop = len(population)
logbook = Logbook()
logbook.header = [] + (stats.fields if stats else [])
data_all = {}
random.setstate(rst)
for gen in range(1, ngen + 1):
"评价"
rst = random.getstate()
"""score"""
invalid_ind = [ind for ind in population if not ind.fitness.valid]
fitnesses = toolbox.parallel(iterable=population)
for ind, fit, in zip(invalid_ind, fitnesses):
ind.fitness.values = fit[0],
ind.expr = fit[1]
ind.y_dim = fit[2]
ind.withdim = fit[3]
random.setstate(rst)
rst = random.getstate()
"""elite"""
add_ind = []
add_ind1 = toolbox.select_kbest_target_dim(population,
K_best=0.05 * len_pop)
add_ind += add_ind1
elite_size = len(add_ind)
random.setstate(rst)
rst = random.getstate()
"""score"""
random.setstate(rst)
rst = random.getstate()
"""record"""
if halloffame is not None:
halloffame.update(add_ind1)
if len(halloffame.items
) > 0 and halloffame.items[-1].fitness.values[0] >= 0.9999:
print(halloffame.items[-1])
print(halloffame.items[-1].fitness.values[0])
break
random.setstate(rst)
rst = random.getstate()
"""Dynamic output"""
record = stats.compile_(population) if stats else {}
logbook.record(gen=gen, pop=len(population), **record)
if verbose:
print(logbook.stream)
random.setstate(rst)
"""crossover, mutate"""
offspring = toolbox.select_gs(population, len_pop - elite_size)
# Vary the pool of individuals
offspring = varAnd(offspring, toolbox, cxpb, mutpb)
rst = random.getstate()
"""re-run"""
offspring.extend(add_ind)
population[:] = offspring
random.setstate(rst)
store = Store()
store.to_csv(data_all)
return population, logbook
def eaSimple(population, toolbox, cxpb, mutpb, ngen, stats=None,
halloffame=None, verbose=__debug__, pset=None, store=True):
"""
Parameters
----------
population
toolbox
cxpb
mutpb
ngen
stats
halloffame
verbose
pset
store
Returns
-------
"""
rst = random.getstate()
len_pop = len(population)
logbook = Logbook()
logbook.header = [] + (stats.fields if stats else [])
data_all = {}
random.setstate(rst)
for gen in range(1, ngen + 1):
"评价"
rst = random.getstate()
"""score"""
invalid_ind = [ind for ind in population if not ind.fitness.valid]
fitnesses = toolbox.parallel(iterable=population)
for ind, fit, in zip(invalid_ind, fitnesses):
ind.fitness.values = fit[0],
ind.expr = fit[1]
ind.dim = fit[2]
ind.withdim = fit[3]
random.setstate(rst)
rst = random.getstate()
"""elite"""
add_ind = []
add_ind1 = toolbox.select_kbest_target_dim(population, K_best=0.01 * len_pop)
add_ind2 = toolbox.select_kbest_dimless(population, K_best=0.01 * len_pop)
add_ind3 = toolbox.select_kbest(population, K_best=5)
add_ind += add_ind1
add_ind += add_ind2
add_ind += add_ind3
elite_size = len(add_ind)
random.setstate(rst)
rst = random.getstate()
"""score"""
if store:
subp = functools.partial(sub, subed=pset.rep_name_list, subs=pset.real_name_list)
data = {"gen{}_pop{}".format(gen, n): {"gen": gen, "pop": n,
"score": i.fitness.values[0],
"expr": str(subp(i.expr)),
} for n, i in enumerate(population) if i is not None}
data_all.update(data)
random.setstate(rst)
rst = random.getstate()
"""record"""
if halloffame is not None:
halloffame.update(add_ind3)
if len(halloffame.items) > 0 and halloffame.items[-1].fitness.values[0] >= 0.95:
print(halloffame.items[-1])
print(halloffame.items[-1].fitness.values[0])
break
random.setstate(rst)
rst = random.getstate()
"""Dynamic output"""
record = stats.compile(population) if stats else {}
logbook.record(gen=gen, pop=len(population), **record)
if verbose:
print(logbook.stream)
random.setstate(rst)
"""crossover, mutate"""
offspring = toolbox.select_gs(population, len_pop - elite_size)
# Vary the pool of individuals
offspring = varAnd(offspring, toolbox, cxpb, mutpb)
rst = random.getstate()
"""re-run"""
offspring.extend(add_ind)
population[:] = offspring
random.setstate(rst)
store = Store()
store.to_csv(data_all)
return population, logbook
# -*- coding: utf-8 -*- # @Time : 2019/12/20 15:11 # @Email : [email protected] # @Software: PyCharm # @License: BSD 3-Clause from featurebox.tools.exports import Store from featurebox.tools.imports import Call store = Store(r'C:\Users\Administrator\Desktop\band_gap_exp\4.symbol', ) data = Call(r'C:\Users\Administrator\Desktop\band_gap_exp\4.symbol') store.to_csv(data.filename)
cov = pd.DataFrame(corr.cov_shrink)
cov = cov.set_axis(X_frame_abbr, axis='index', inplace=False)
cov = cov.set_axis(X_frame_abbr, axis='columns', inplace=False)
fig = plt.figure()
fig.add_subplot(111)
sns.heatmap(cov, vmin=-1, vmax=1, cmap="bwr", linewidths=0.3, xticklabels=True, yticklabels=True, square=True,
annot=True, annot_kws={'size': 3})
plt.show()
corr_plot(corr.cov_shrink, X_frame_abbr, left_down="fill", right_top="pie", threshold_right=0, front_raito=0.5)
list_name, list_abbr = name_to_name(X_frame_name, X_frame_abbr, search=corr.list_count, search_which=0,
return_which=(1, 2),
two_layer=True)
store.to_csv(cov, "cov")
store.to_txt(list_name, "list_name")
store.to_txt(list_abbr, "list_abbr")
# 2
select = ['volume', 'destiny', 'lattice constants a', 'lattice constants c', 'radii covalent',
'radii ionic(shannon)',
'distance core electron(schubert)', 'latent heat of fusion', 'energy cohesive brewer', 'total energy',
'charge nuclear effective(slater)', 'valence electron number', 'electronegativity(martynov&batsanov)',
'volume atomic(villars,daams)'] # human select
select_index, select_abbr = name_to_name(X_frame_name, X_frame_abbr, search=select, search_which=1,
return_which=(0, 2),
two_layer=False)
cov_select = corr.cov_shrink[select_index, :][:, select_index]
"""for element site"""
com_mp = pd.Series([i.to_reduced_dict for i in composition_mp])
# com_mp = composition_mp
all_import = data.csv.all_import
id_structures = data.id_structures
structures = id_structures
vor_area = count_voronoinn(structures, mess="area")
vor_dis = count_voronoinn(structures, mess="face_dist")
vor = pd.DataFrame()
vor.insert(0, 'vor_area0', vor_area[:, 0])
vor.insert(0, 'face_dist0', vor_dis[:, 0])
vor.insert(0, 'vor_area1', vor_area[:, 1])
vor.insert(0, 'face_dist1', vor_dis[:, 1])
data_title = all_import[[
'name_number', "x_name", "structure", "structure_type", "space_group",
"reference", 'material_id', 'composition', 'exp_gap', 'group_number'
]]
data_tail = all_import.drop([
'name_number', "x_name", "structure", "structure_type", "space_group",
"reference", 'material_id', 'composition', 'exp_gap', 'group_number'
],
axis=1)
data_import = data_title.join(
vor[["face_dist0", "vor_area0", "face_dist1", "vor_area1"]])
data_import = data_import.join(data_tail)
store.to_csv(data_import, "all_import")
"""union"""
index_all = [tuple(index[0]) for _ in index_all for index in _[:10]]
index_all = list(set(index_all))
"""get x_name and abbr"""
index_all_name = name_to_name(X_frame.columns.values, search=[i for i in index_all],
search_which=0, return_which=(1,), two_layer=True)
index_all_name = [list(set([re.sub(r"_\d", "", j) for j in i])) for i in index_all_name]
[i.sort() for i in index_all_name]
index_all_abbr = name_to_name(name_init, abbr_init, search=index_all_name, search_which=1, return_which=2,
two_layer=True)
store.to_pkl_pd(index_all, "index_all")
store.to_csv(index_all_name, "index_all_name")
store.to_csv(index_all_abbr, "index_all_abbr")
ugs = UGS(estimator_all, index_all, estimator_n=[2, 3], n_jobs=3)
ugs.fit(X, y)
# re = gs.cv_score_all(index_all)
binary_distance = ugs.cal_binary_distance_all(index_all, estimator_i=3)
# slice_k = gs._cv_predict_all(estimator_i=3)
groups = ugs.cal_group(estimator_i=3, printing=True, print_noise=0.2, pre_binary_distance_all=binary_distance)
ugs.cluster_print(binary_distance, highlight=[1, 2, 3])
# groups = ugs.cal_t_group(printing=False, pre_group=None)
# ss=ugs.select_ugs(alpha=0.01)
# results = gs.select_gs(alpha=0.01)
# gs.cal_group(eps=0.10, estimator_i=1, printing=True, pre_binary_distance_all=slice_g, print_noise=0.1,
# node_name=index_all_abbr)
batch_size=40,
re_hall=3,
n_jobs=12,
mate_prob=0.9,
max_value=5,
mutate_prob=0.8,
tq=False,
dim_type="coef",
re_Tree=0,
store=False,
random_state=i,
verbose=True,
stats={
"fitness_dim_max": ["max"],
"dim_is_target": ["sum"]
},
add_coef=True,
inner_add=False,
cal_dim=True,
vector_add=True,
personal_map=False)
# b = time.time()
exps = bl.run()
print([i.coef_expr for i in exps])
score = exps.keys[0].values[0]
name = group_str(exps[0], pset0, feature_name=True)
dicts["s%s" % i] = [score, name]
print(i)
store.to_csv(dicts, model="a+")
return com
ele_ratio = comdict_to_df(composition_mp)
"""get structure"""
# with MPRester('Di2IZMunaeR8vr9w') as m:
# ids = [i for i in com_data['material_id']]
# structures = [m.get_structure_by_material_id(i) for i in ids]
# store.to_pkl_pd(structures, "id_structures")
# id_structures = pd.read_pickle(
# r'C:\Users\Administrator\Desktop\band_gap_exp\1.generate_data\id_structures.pkl.pd')
"""get departed element feature"""
departElementProPFeature = DepartElementFeaturizer(elem_data=select_element_table, n_composition=2, n_jobs=4, )
departElement = departElementProPFeature.fit_transform(composition_mp)
"""join"""
depart_elements_table = departElement.set_axis(com_data.index.values, axis='index', inplace=False)
ele_ratio = ele_ratio.set_axis(com_data.index.values, axis='index', inplace=False)
all_import_title = com_data.join(ele_ratio)
all_import_title = all_import_title.join(depart_elements_table)
store.to_csv(all_import_title, "all_import_title")
all_import = all_import_title.drop(
['name_number', 'name_number', "name", "structure", "structure_type", "space_group", "reference", 'material_id',
'composition', "com_0", "com_1"], axis=1)
store.to_csv(all_import, "all_import")
m = MPRester(api_key)
ids = m.query(criteria={
# 'pretty_formula': {"$in": name_list},
'nelements': {"$lt": 5, "$gt": 3},
# 'spacegroup.number': {"$in": [225]},
'nsites': {"$lt": 20},
'formation_energy_per_atom': {"$lt": 0},
# "elements": {"$in": ["Al", "Co", "Cr", "Cu", "Fe", 'Ni'], "$all": "O"},
# "elements": {"$in": list(combinations(["Al", "Co", "Cr", "Cu", "Fe", 'Ni'], 5))}
}, properties=["material_id"])
print("number %s" % len(ids))
return ids
if __name__ == "__main__":
list1 = list(
['CsCl', 'CsBr', 'CsI', 'CsSb', 'LiF', 'KF', 'RbF', 'CsF', 'MgO', 'CdO', 'MnO', 'VO', 'CaO', 'SrO', 'BaO',
'EuO', 'ScN', 'YN', 'ErN', 'HoN', 'DyN', 'GdN', 'EuN', 'CeN', 'LiCl', 'TlCl', 'AgCl', 'NaCl', 'RbCl', 'LiBr',
'TlBr', 'AgBr', 'NaBr', 'KBr', 'RbBr', 'MgSe', 'PbSe', 'CaSe', 'SrSe', 'BaSe', 'YbSe', 'EuSe', 'SmSe', 'PbS',
'MnS', 'CaS', 'SrS', 'BaS', 'YbS', 'EuS', 'SmS', 'LiI', 'TlI', 'NaI', 'KI', 'RbI', 'YbAs', 'TmAs', 'DyAs',
'GdAs', 'NdAs', 'SmAs', 'PrAs', 'SmP', 'AsTe', 'GeTe', 'SnTe', 'PbTe', 'CaTe', 'SrTe', 'BaTe', 'YbTe', 'ErTe',
'GdTe', 'EuTe', 'SmTe', 'LaSb', 'YbSb', 'SmSb', 'PrSb', 'NaF', 'KCl', 'CuBr', 'BeSe', 'ZnSe', 'CdSe', 'HgSe',
'BeS', 'ZnS', 'CdS', 'AlAs', 'AlP', 'BeTe', 'ZnTe', 'CdTe', 'HgTe', 'AlSb', 'BN', 'SiC3c', 'GaAs', 'InAs',
'BP', 'GaP', 'InP', 'GaSb', 'InSb', 'CuCl', 'HgS', 'CuI', 'MnTe', 'AgI', 'ZnS', 'ZnSe', 'ZnO', 'AlN', 'GaN',
'MgTe', 'BeO', 'BN', 'InN', 'SiC', 'MnS'])
idss = get_ids(api_key="Di2IZMunaeR8vr9w", name_list=list1)
idss1 = [i['material_id'] for i in idss]
dff = data_fetcher("Di2IZMunaeR8vr9w", idss1, elasticity=False)
st = Store(r"C:\Users\Administrator\Desktop")
st.to_csv(dff, "id_structure")
clf = Exhaustion(estimator,
n_select=n_select,
muti_grade=2,
muti_index=[2, X.shape[1]],
must_index=None,
n_jobs=1,
refit=True).fit(X, y)
name_ = name_to_name(X_frame.columns.values,
search=[i[0] for i in clf.score_ex[:10]],
search_which=0,
return_which=(1, ),
two_layer=True)
sc = np.array(clf.scatter)
for i in clf.score_ex[:]:
print(i[1])
for i in name_:
print(i)
t = clf.predict(X)
p = BasePlot()
p.scatter(y, t, strx='True $E_{gap}$', stry='Calculated $E_{gap}$')
plt.show()
p.scatter(sc[:, 0], sc[:, 1], strx='Number', stry='Score')
plt.show()
store.to_csv(sc, method_name + "".join([str(i) for i in n_select]))
store.to_pkl_pd(clf.score_ex,
method_name + "".join([str(i) for i in n_select]))
param_grid3 = [{'n_estimators': [100, 200], 'learning_rate': [0.1, 0.05]}]
# 2 model
ref = RFECV(me2, cv=3)
x_ = ref.fit_transform(x, y)
gd = GridSearchCV(me2, cv=3, param_grid=param_grid2, scoring="r2", n_jobs=1)
gd.fit(x_, y)
score = gd.best_score_
# 1,3 model
# gd = GridSearchCV(me1, cv=3, param_grid=param_grid1, scoring="r2", n_jobs=1)
# gd.fit(x,y)
# es = gd.best_estimator_
# sf = SelectFromModel(es, threshold=None, prefit=False,
# norm_order=1, max_features=None)
# sf.fit(x,y)
# feature = sf.get_support()
#
# gd.fit(x[:,feature],y)
# score = gd.best_score_
# 其他模型
# 穷举等...
# 导出
# pd.to_pickle(gd,r'C:\Users\Administrator\Desktop\skk\gd_model')
# pd.read_pickle(r'C:\Users\Administrator\Desktop\skk\gd_model')
store.to_pkl_sk(gd)
store.to_csv(x)
store.to_txt(score)
