def test_default_values():
""" Tests the default values of the configuration file. First with a simple configuration
and then with some parameters customized, to check if missing dict entries are set correctly. """
# First with simple configuration
config_file = './study/profit_default.yaml'
config = Config.from_file(config_file)
assert config.get('base_dir') == path.abspath('./study')
assert config.get('run_dir') == config.get('base_dir')
assert config['files'].get('input') == path.join(config.get('base_dir'),
'input.txt')
assert config['files'].get('output') == path.join(config.get('base_dir'),
'output.txt')
assert config['fit'].get('surrogate') == 'GPy'
assert config['fit'].get('kernel') == 'RBF'
# Now check when dicts are only partially set
config_file = './study/profit_default_2.yaml'
config = Config.from_file(config_file)
assert config['files'].get('input') == path.join(config.get('base_dir'),
'custom_input.in')
assert config['files'].get('output') == path.join(config.get('base_dir'),
'output.txt')
assert config['fit'].get('surrogate') == 'GPy'
assert config['fit'].get('kernel') == 'RBF'
assert config['fit'].get('plot') is True
def test_1D():
"""Test a simple function f(u) = cos(10*u) + u."""
config_file = 'study_1D/profit_1D.yaml'
config = Config.from_file(config_file)
model_file = './study_1D/model_1D_Custom.hdf5'
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'Custom'
assert sur.trained
assert sur.kernel.__name__ == 'RBF'
assert allclose(sur.hyperparameters['length_scale'],
0.15975022,
rtol=PARAM_RTOL)
assert allclose(sur.hyperparameters['sigma_f'],
0.91133526,
rtol=PARAM_RTOL)
assert allclose(sur.hyperparameters['sigma_n'],
0.00014507,
rtol=PARAM_RTOL)
finally:
clean(config)
if path.exists(model_file):
remove(model_file)
def test_2D():
"""Test a Rosenbrock 2D function with two random inputs."""
config_file = 'study_2D/profit_2D.yaml'
config = Config.from_file(config_file)
model_file = './study_2D/model_2D_Custom.hdf5'
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'Custom'
assert sur.trained
assert sur.kernel.__name__ == 'RBF'
assert sur.ndim == 2
assert allclose(sur.hyperparameters['length_scale'],
0.96472754,
rtol=PARAM_RTOL)
assert allclose(sur.hyperparameters['sigma_f'],
15.02288291,
rtol=PARAM_RTOL)
assert allclose(sur.hyperparameters['sigma_n'],
8.83125694e-06,
rtol=PARAM_RTOL)
finally:
clean(config)
if path.exists(model_file):
remove(model_file)
def __init__(self, config=None, yaml=None):
from chaospy import (generate_quadrature, orth_ttr, fit_quadrature, E, Std,
descriptives)
self.params = OrderedDict()
self.backend = None
self.param_files = None
if yaml:
print(' load configuration from %s'%yaml)
config = Config.from_file(yaml)
if config:
if (config['uq']['backend'] == 'ChaosPy'):
self.backend = ChaosPy(config['uq']['order'])
# TODO: extend
self.Normal = self.backend.Normal
self.Uniform = self.backend.Uniform
params = config['uq']['params']
for pkey in params:
if params[pkey]['dist'] == 'Uniform':
self.params[pkey] = self.Uniform(params[pkey]['min'],
params[pkey]['max'])
if 'param_files' in config['uq']:
self.param_files = config['uq']['param_files']
self.template_dir = 'template/'
self.run_dir = 'run/'
def test_1D():
"""Test a simple function f(u) = cos(10*u) + u."""
config_file = 'study_1D/profit_1D.yaml'
config = Config.from_file(config_file)
model_file = './study_1D/model_1D.hdf5'
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
run(f"profit fit {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'GPy'
assert sur.trained
assert sur.model.kern.name == 'rbf'
assert allclose(sur.model.likelihood.variance[0],
4.809421284738159e-11,
atol=NLL_ATOL)
assert allclose(sur.model.kern.variance[0],
1.6945780226638725,
rtol=PARAM_RTOL)
assert allclose(sur.model.kern.lengthscale,
0.22392982500520792,
rtol=PARAM_RTOL)
finally:
clean(config)
if path.exists(model_file):
remove(model_file)
def test_2D():
"""Test a Rosenbrock 2D function with two random inputs."""
config_file = 'study_2D/profit_2D.yaml'
config = Config.from_file(config_file)
model_file = './study_2D/model_2D.hdf5'
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
run(f"profit fit {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'GPy'
assert sur.trained
assert sur.model.kern.name == 'rbf'
assert sur.model.kern.input_dim == 2
assert allclose(sur.model.likelihood.variance[0],
2.657441549034709e-08,
atol=NLL_ATOL)
assert allclose(sur.model.kern.variance[0],
270.2197671669302,
rtol=PARAM_RTOL)
assert allclose(sur.model.kern.lengthscale[0],
1.079943283873971,
rtol=PARAM_RTOL)
finally:
clean(config)
if path.exists(model_file):
remove(model_file)
def test_txt_input():
"""Tests if the input files in the single run directories are created from the template."""
config_file = './study/profit.yaml'
config = Config.from_file(config_file)
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
assert path.isfile('./study/run_000/mockup.in')
clean(config)
def from_env(cls, label='run'):
from profit.config import Config
base_config = Config.from_file(checkenv('PROFIT_CONFIG_PATH'))
config = base_config[label]
if config['custom']:
cls.handle_config(config, base_config)
run_id = int(checkenv('PROFIT_RUN_ID')) + int(
os.environ.get('PROFIT_ARRAY_ID', 0))
return cls.from_config(config, run_id)
def test_yaml_py_config():
"""Tests if .yaml and .py configuration files are equal by comparing dict keys and values."""
yaml_file = '././study/profit.yaml'
py_file = '././study/profit_config.py'
config_yaml = Config.from_file(yaml_file)
config_py = Config.from_file(py_file)
def assert_dict(dict_items1, dict_items2):
for (key1, value1), (key2, value2) in zip(dict_items1, dict_items2):
assert key1 == key2
if type(value1) is dict:
assert_dict(value1.items(), value2.items())
elif type(value1) is ndarray:
assert value1.dtype == value2.dtype
assert value1.shape == value2.shape
elif key1 != 'config_path':
assert value1 == value2
assert_dict(config_yaml.items(), config_py.items())
def test_hdf5_input_output():
"""Checks the data inside a .hdf5 input file."""
config_file = './study/profit_hdf5.yaml'
config = Config.from_file(config_file)
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
data_in = load(config['files'].get('input'))
assert data_in.shape == (2, 1)
assert data_in.dtype.names == ('u', 'v', 'w')
finally:
clean(config)
def multi_test_1d(study, config_file, output_file):
""" test 1D with different config files """
config_file = path.join(study, config_file)
output_file = path.join(study, output_file)
config = Config.from_file(config_file)
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
output = load(output_file)
assert output.shape == (7, 1)
assert all(output['f'] - array([0.7836, -0.5511, 1.0966, 0.4403, 1.6244, -0.4455, 0.0941]).reshape((7, 1))
< 1e-4)
finally:
clean(config)
def test_symlinks():
"""Checks if relative symbolic links are handled correctly."""
config_file = './study/profit_symlink.yaml'
config = Config.from_file(config_file)
base_file = './study/run_000/mockup.in'
link_file = './study/run_000/some_subdir/symlink_link.txt'
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
with open(link_file, 'r') as link:
with open(base_file, 'r') as base:
link_data = link.read()
base_data = base.read()
assert link_data == base_data and not link_data.startswith('{')
finally:
clean(config)
def test_txt_json_input():
"""Checks if the numpy arrays resulting from a text and a json input are equal."""
config_file = './study/profit_json.yaml'
config = Config.from_file(config_file)
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
with open(path.join(config['run_dir'], 'run_000',
'mockup_json.in')) as jf:
json_input = jload(jf)
json_input = array([float(val) for val in json_input.values()])
with open(path.join(config['run_dir'], 'run_000', 'mockup.in')) as tf:
txt_input = genfromtxt(tf)
assert json_input.dtype == txt_input.dtype
assert json_input.shape == txt_input.shape
finally:
clean(config)
def test_numpytxt():
from numpy import array
from profit.run.default import NumpytxtPostprocessor
BASE_CONFIG = Config.from_file('numpy.yaml')
config = {
'class': 'numpytxt',
'path': 'numpytxt.csv',
'options': {
'delimiter': ','
}
}
data = array([0], dtype=[('f', float, (3, )), ('g', float)])[0]
NumpytxtPostprocessor.handle_config(config, BASE_CONFIG)
post = NumpytxtPostprocessor(config)
post(data)
assert all(data['f'] == [1.4, 1.3, 1.2])
assert data['g'] == 10
def test_2D_independent():
"""Test a Fermi function which returns a vector over energy and is sampled over different temperatures."""
config_file = 'study_independent/profit_independent.yaml'
config = Config.from_file(config_file)
model_file = config['fit'].get('save')
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
run(f"profit fit {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'GPy'
assert sur.trained
assert sur.model.kern.name == 'rbf'
assert sur.model.kern.input_dim == 1
assert allclose(sur.model.likelihood.variance[0], 2.8769632382230903e-05, atol=NLL_ATOL)
assert allclose(sur.model.kern.variance[0], 0.4382486018781694, rtol=PARAM_RTOL)
assert allclose(sur.model.kern.lengthscale[0], 0.24077767526116695, rtol=PARAM_RTOL)
finally:
clean(config)
if path.exists(model_file):
remove(model_file)
def test_zeromq():
from threading import Thread
from time import sleep
from profit.run.zeromq import ZeroMQInterface, ZeroMQRunnerInterface
BASE_CONFIG = Config.from_file('numpy.yaml')
MAX_IDS = BASE_CONFIG['ntrain']
config = {'class': 'zeromq'}
ZeroMQRunnerInterface.handle_config(config, BASE_CONFIG)
def runner():
rif = ZeroMQRunnerInterface(config, MAX_IDS, BASE_CONFIG['input'],
BASE_CONFIG['output'])
try:
rif.input[['u', 'v']][RUN_ID] = VALUE_U, VALUE_V
for i in range(3):
rif.poll()
sleep(0.5)
assert rif.output['f'][RUN_ID] == VALUE_F
assert rif.internal['TIME'][RUN_ID] == VALUE_T
assert rif.internal['DONE'][RUN_ID]
finally:
rif.clean()
def worker():
wif = ZeroMQInterface(config, run_id=RUN_ID)
assert_wif(wif)
wif.output['f'] = VALUE_F
wif.time = VALUE_T
wif.done()
rt = Thread(target=runner)
wt = Thread(target=worker)
rt.start()
wt.start()
wt.join()
rt.join()
def test_multi_output():
"""Test a 1D function with two outputs."""
config_file = 'study_multi_output/profit_multi_output.yaml'
config = Config.from_file(config_file)
model_file = config['fit'].get('save')
try:
run(f"profit run {config_file}", shell=True, timeout=TIMEOUT)
run(f"profit fit {config_file}", shell=True, timeout=TIMEOUT)
sur = Surrogate.load_model(model_file)
assert sur.get_label() == 'GPy'
assert sur.trained
assert sur.model.kern.name == 'ICM'
assert allclose(sur.model.likelihood.likelihoods_list[0].variance[0], 0.00032075301845035454, atol=NLL_ATOL)
assert allclose(sur.model.likelihood.likelihoods_list[0].variance[0], 3.773865299540149e-09, atol=NLL_ATOL)
assert allclose(sur.model.kern.rbf.variance[0], 0.52218353, rtol=PARAM_RTOL)
assert allclose(sur.model.kern.rbf.lengthscale, 0.20184872, rtol=PARAM_RTOL)
finally:
clean(config)
from os.path import splitext
# .hdf5 is not yet supported for multi output model, so it is saved as .pkl instead.
model_file = splitext(model_file)[0] + '.pkl'
if path.exists(model_file):
remove(model_file)
def test_memmap():
from profit.run.default import MemmapInterface, MemmapRunnerInterface
import os
BASE_CONFIG = Config.from_file('numpy.yaml')
MAX_IDS = BASE_CONFIG['ntrain']
config = {'class': 'memmap'}
try:
MemmapRunnerInterface.handle_config(config, BASE_CONFIG)
rif = MemmapRunnerInterface(config, MAX_IDS, BASE_CONFIG['input'],
BASE_CONFIG['output'])
rif.input[['u', 'v']][1] = VALUE_U, VALUE_V
wif = MemmapInterface(config, RUN_ID)
assert_wif(wif)
wif.output['f'] = VALUE_F
wif.time = VALUE_T
wif.done()
assert rif.output['f'][RUN_ID] == VALUE_F
assert rif.internal['TIME'][RUN_ID] == VALUE_T
assert rif.internal['DONE'][RUN_ID]
finally:
if 'path' in config and os.path.exists(config['path']):
os.remove(config['path'])
def main():
print(sys.argv)
if len(sys.argv) < 2:
print_usage()
return
if len(sys.argv) < 3:
config_file = os.path.join(os.getcwd(), 'profit.yaml')
else:
config_file = os.path.abspath(sys.argv[2])
config = Config.from_file(config_file)
sys.path.append(config['base_dir'])
if (sys.argv[1] == 'pre'):
eval_points = get_eval_points(config)
try:
profit.fill_run_dir(eval_points,
template_dir=config['template_dir'],
run_dir=config['run_dir'],
overwrite=False)
except RuntimeError:
question = ("Warning: Run directories in {} already exist "
"and will be overwritten. Continue? (y/N) ").format(
config['run_dir'])
if (yes):
print(question + 'y')
else:
answer = input(question)
if (not yes) and not (answer == 'y' or answer == 'Y'):
exit()
profit.fill_run_dir(eval_points,
template_dir=config['template_dir'],
run_dir=config['run_dir'],
overwrite=True)
elif (sys.argv[1] == 'run'):
print(read_input(config['base_dir']))
if config['run']:
run = profit.run.LocalCommand(config['run']['cmd'],
config['run']['ntask'])
run.start()
else:
raise RuntimeError('No "run" entry in profit.yaml')
elif (sys.argv[1] == 'collect'):
from numpy import array, empty, nan, savetxt
from .util import save_txt
spec = importlib.util.spec_from_file_location('interface',
config['interface'])
interface = importlib.util.module_from_spec(spec)
spec.loader.exec_module(interface)
data = empty((config['ntrain'], len(config['output'])))
for krun in range(config['ntrain']):
run_dir_single = os.path.join(
config['run_dir'],
str(krun).zfill(3)
) #.zfill(3) is an option that forces krun to have 3 digits
print(run_dir_single)
try:
os.chdir(run_dir_single)
data[krun, :] = interface.get_output()
except:
data[krun, :] = nan
finally:
os.chdir(config['base_dir'])
savetxt('output.txt', data, header=' '.join(config['output']))
elif (sys.argv[1] == 'fit'):
from numpy import loadtxt
from h5py import File
x = loadtxt('input.txt')
y = loadtxt('output.txt')
fresp = fit(x, y)
with File('profit.hdf5', 'w') as h5f:
h5f['xtrain'] = fresp.xtrain
h5f['ytrain'] = fresp.ytrain
h5f['yscale'] = fresp.yscale
h5f['ndim'] = fresp.ndim
h5f['variables'] = [v.numpy() for v in fresp.m.variables]
elif (sys.argv[1] == 'ui'):
from profit.ui import app
app.app.run_server(debug=True)
else:
print_usage()
return
def main():
"""
Main command line interface
sys.argv is an array whose values are the entered series of command
(e.g.: sys.argv=['profit','run', '--active-learning', '/home/user/example'])
"""
""" Get parameters from argv """
parser = ArgumentParser(
usage='profit <mode> (base-dir)',
description=
"Probabilistic Response Model Fitting with Interactive Tools",
formatter_class=RawTextHelpFormatter)
parser.add_argument(
'mode', # ToDo: subparsers?
metavar='mode',
choices=['run', 'fit', 'ui', 'clean'],
help='run ... start simulation runs \n'
'fit ... fit data with Gaussian Process \n'
'ui ... visualise results \n'
'clean ... remove run directories and input/output files')
parser.add_argument(
'base_dir',
metavar='base-dir',
help='path to config file (default: current working directory)',
default=getcwd(),
nargs='?')
args = parser.parse_args()
print(args)
""" Instantiate Config class from the given file """
config_file = safe_path_to_file(args.base_dir, default='profit.yaml')
config = Config.from_file(config_file)
sys.path.append(config['base_dir'])
if args.mode == 'run':
from tqdm import tqdm
from profit.pre import get_eval_points, write_input
from profit.util import save
runner = Runner.from_config(config['run'], config)
eval_points = get_eval_points(config)
write_input(config['files']['input'], eval_points)
if 'activelearning' in (safe_str(v['kind'])
for v in config['input'].values()):
from profit.fit import ActiveLearning
from profit.sur.sur import Surrogate
runner.fill(eval_points)
if 'active_learning' not in config:
config['active_learning'] = {}
ActiveLearning.handle_config(config['active_learning'], config)
al = ActiveLearning.from_config(runner, config['active_learning'],
config)
al.run_first()
al.learn()
if config['active_learning'].get('save'):
al.save(config['active_learning']['save'])
else:
params_array = [row[0] for row in eval_points]
runner.spawn_array(tqdm(params_array), blocking=True)
if config['run']['clean']:
runner.clean()
if config['files']['output'].endswith('.txt'):
data = runner.structured_output_data
save(config['files']['output'], data.reshape(data.size, 1))
else:
save(config['files']['output'], runner.output_data)
elif args.mode == 'fit':
from numpy import arange, hstack, meshgrid
from profit.util import load
from profit.sur.sur import Surrogate
sur = Surrogate.from_config(config['fit'], config)
if not sur.trained:
x = load(config['files']['input'])
y = load(config['files']['output'])
x = hstack([x[key] for key in x.dtype.names])
y = hstack([y[key] for key in y.dtype.names])
sur.train(x, y)
if config['fit'].get('save'):
sur.save_model(config['fit']['save'])
if config['fit'].get('plot'):
try:
xpred = [
arange(minv, maxv, step)
for minv, maxv, step in config['fit']['plot'].get('xpred')
]
xpred = hstack(
[xi.flatten().reshape(-1, 1) for xi in meshgrid(*xpred)])
except AttributeError:
xpred = None
sur.plot(xpred, independent=config['independent'], show=True)
elif args.mode == 'ui':
from profit.ui import init_app
app = init_app(config)
app.run_server(debug=True)
elif args.mode == 'clean':
from shutil import rmtree
from os import path, remove
run_dir = config['run_dir']
question = "Are you sure you want to remove the run directories in {} " \
"and input/output files? (y/N) ".format(config['run_dir'])
if yes:
print(question + 'y')
else:
answer = input(question)
if not answer.lower().startswith('y'):
print('exit...')
sys.exit()
for krun in range(config['ntrain']):
single_run_dir = path.join(run_dir, f'run_{krun:03d}')
if path.exists(single_run_dir):
rmtree(single_run_dir)
if path.exists(config['files']['input']):
remove(config['files']['input'])
if path.exists(config['files']['output']):
remove(config['files']['output'])
runner = Runner.from_config(config['run'], config)
runner.clean()
try:
rmtree(config['run']['log_path'])
except FileNotFoundError:
pass