def test_batchsobol(self):
mod = SobolGenerator(lb=[1, 2, 3], ub=[2, 3, 4], dim=3, seed=12345)
acq1 = mod.gen(num_points=2)
self.assertEqual(acq1.shape, (2, 3))
acq2 = mod.gen(num_points=3)
self.assertEqual(acq2.shape, (3, 3))
acq3 = mod.gen()
self.assertEqual(acq3.shape, (1, 3))
def test_1d_query(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 150
n_opt = 1
lb = -4.0
ub = 4.0
target = 0.5
def obj(x):
return -((Normal(0, 1).cdf(x[..., 0]) - target) ** 2)
# Test sine function with period 4
def test_fun(x):
return np.sin(np.pi * x / 4)
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound,
acqf_kwargs={"beta": 1.96, "objective": GenericMCObjective(obj)},
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(test_fun(next_x)))])
# We expect the global max to be at (2, 1), the min at (-2, -1)
fmax, argmax = strat.get_max()
self.assertTrue(np.abs(fmax - 1) < 0.5)
self.assertTrue(np.abs(argmax[0] - 2) < 0.5)
fmin, argmin = strat.get_min()
self.assertTrue(np.abs(fmin + 1) < 0.5)
self.assertTrue(np.abs(argmin[0] + 2) < 0.5)
# Query at x=2 should be f=1
self.assertTrue(np.abs(strat.predict(torch.tensor([2]))[0] - 1) < 0.5)
# Inverse query at val 1 should return (1,[2])
val, loc = strat.inv_query(1.0, constraints={})
self.assertTrue(np.abs(val - 1) < 0.5)
self.assertTrue(np.abs(loc[0] - 2) < 0.5)
def test_1d_jnd(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 150
n_opt = 1
lb = -4.0
ub = 4.0
target = 0.5
def obj(x):
return -((Normal(0, 1).cdf(x[..., 0]) - target) ** 2)
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(next_x / 1.5))])
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
# we expect jnd close to the target to be close to the correct
# jnd (1.5), and since this is linear model this should be true
# for both definitions of JND
jnd_step = strat.get_jnd(grid=x[:, None], method="step")
est_jnd_step = jnd_step[50]
# looser test because step-jnd is hurt more by reverting to the mean
self.assertTrue(np.abs(est_jnd_step - 1.5) < 0.5)
jnd_taylor = strat.get_jnd(grid=x[:, None], method="taylor")
est_jnd_taylor = jnd_taylor[50]
self.assertTrue(np.abs(est_jnd_taylor - 1.5) < 0.25)
def test_sobolgen_single(self):
# test that SobolGenerator doesn't mess with shapes
sobol1 = make_scaled_sobol(lb=[1, 2, 3],
ub=[2, 3, 4],
size=10,
seed=12345)
sobol2 = torch.zeros((10, 3))
mod = SobolGenerator(lb=[1, 2, 3], ub=[2, 3, 4], dim=3, seed=12345)
for i in range(10):
sobol2[i, :] = mod.gen()
npt.assert_almost_equal(sobol1.numpy(), sobol2.numpy())
# check that bounds are also right
self.assertTrue(torch.all(sobol1[:, 0] > 1))
self.assertTrue(torch.all(sobol1[:, 1] > 2))
self.assertTrue(torch.all(sobol1[:, 2] > 3))
self.assertTrue(torch.all(sobol1[:, 0] < 2))
self.assertTrue(torch.all(sobol1[:, 1] < 3))
self.assertTrue(torch.all(sobol1[:, 2] < 4))
def test_sobol_config(self):
config_str = """
[common]
lb = [0]
ub = [1]
parnames = [par1]
[SobolGenerator]
seed=12345
"""
config = Config()
config.update(config_str=config_str)
gen = SobolGenerator.from_config(config)
npt.assert_equal(gen.lb.numpy(), np.array([0]))
npt.assert_equal(gen.ub.numpy(), np.array([1]))
self.assertEqual(gen.seed, 12345)
def test_1d_single_targeting(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 50
n_opt = 1
lb = -4.0
ub = 4.0
target = 0.75
def obj(x):
return -((Normal(0, 1).cdf(x[..., 0]) - target) ** 2)
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(next_x))])
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
# since target is 0.75, find the point at which f_est is 0.75
est_max = x[np.argmin((norm.cdf(zhat.detach().numpy()) - 0.75) ** 2)]
# since true z is just x, the true max is where phi(x)=0.75,
self.assertTrue(np.abs(est_max - norm.ppf(0.75)) < 0.5)
def test_1d_single_lse(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 50
n_opt = 1
lb = -4.0
ub = 4.0
# target is in z space not phi(z) space, maybe that's
# weird
extra_acqf_args = {"target": 0.75, "beta": 1.96}
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
n_trials=n_opt,
generator=OptimizeAcqfGenerator(
MCLevelSetEstimation, acqf_kwargs=extra_acqf_args
),
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(next_x))])
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
# since target is 0.75, find the point at which f_est is 0.75
est_max = x[np.argmin((norm.cdf(zhat.detach().numpy()) - 0.75) ** 2)]
# since true z is just x, the true max is where phi(x)=0.75,
self.assertTrue(np.abs(est_max - norm.ppf(0.75)) < 0.5)
def test_1d_single_probit_pure_exploration(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 50
n_opt = 1
lb = -4.0
ub = 4.0
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(next_x))])
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
# f(x) = x so we're just looking at corr between cdf(zhat) and cdf(x)
self.assertTrue(
pearsonr(norm.cdf(zhat.detach().numpy()).flatten(), norm.cdf(x).flatten())[
0
]
> 0.95
)
def test_1d_single_probit(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 15
n_opt = 20
lb = -4.0
ub = 4.0
acqf = BernoulliMCMutualInformation
extra_acqf_args = {"objective": ProbitObjective()}
model_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, dim=1, inducing_size=10),
generator=OptimizeAcqfGenerator(acqf, extra_acqf_args),
n_trials=n_opt,
),
]
strat = SequentialStrategy(model_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(f_1d(next_x))])
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
true = f_1d(x.detach().numpy())
est = zhat.detach().numpy()
# close enough!
self.assertTrue((((norm.cdf(est) - true) ** 2).mean()) < 0.25)
def test_2d_single_probit_pure_exploration(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 50
n_opt = 1
lb = [-1, -1]
ub = [1, 1]
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(cdf_new_novel_det(next_x))])
xy = np.mgrid[-1:1:30j, -1:1:30j].reshape(2, -1).T
post_mean, _ = strat.predict(torch.Tensor(xy))
phi_post_mean = norm.cdf(post_mean.reshape(30, 30).detach().numpy())
phi_post_true = cdf_new_novel_det(xy)
self.assertTrue(
pearsonr(phi_post_mean.flatten(), phi_post_true.flatten())[0] > 0.9
)
def test_1d_single_probit_new_interface(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 50
n_opt = 1
lb = -4.0
ub = 4.0
model_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(model_list)
while not strat.finished:
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(f_1d(next_x))])
self.assertTrue(strat.y.shape[0] == n_init + n_opt)
x = torch.linspace(-4, 4, 100)
zhat, _ = strat.predict(x)
# true max is 0, very loose test
self.assertTrue(np.abs(x[np.argmax(zhat.detach().numpy())]) < 0.5)
def test_1d_monotonic_single_probit(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 15
n_opt = 1
lb = -4.0
ub = 4.0
acqf = MonotonicBernoulliMCMutualInformation
acqf_kwargs = {"objective": ProbitObjective()}
model_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
n_trials=n_opt,
model=MonotonicRejectionGP(lb=lb, ub=ub, dim=1, monotonic_idxs=[0]),
generator=MonotonicRejectionGenerator(acqf, acqf_kwargs),
),
]
strat = SequentialStrategy(model_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(f_1d(next_x))])
x = torch.linspace(-4, 4, 100).reshape(-1, 1)
zhat, _ = strat.predict(x)
true = f_1d(x.detach().numpy())
est = zhat.detach().numpy()
# close enough!
self.assertTrue((((norm.cdf(est) - true) ** 2).mean()) < 0.25)
def test_2d_single_probit(self):
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 150
n_opt = 1
lb = [-1, -1]
ub = [1, 1]
strat_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=20),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(strat_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(f_2d(next_x[None, :]))])
xy = np.mgrid[-1:1:30j, -1:1:30j].reshape(2, -1).T
zhat, _ = strat.predict(torch.Tensor(xy))
self.assertTrue(np.all(np.abs(xy[np.argmax(zhat.detach().numpy())]) < 0.5))
def test_extra_ask_warns(self):
# test that when we ask more times than we have models, we warn but keep going
seed = 1
torch.manual_seed(seed)
np.random.seed(seed)
n_init = 3
n_opt = 1
lb = -4.0
ub = 4.0
model_list = [
Strategy(
lb=lb,
ub=ub,
n_trials=n_init,
generator=SobolGenerator(lb=lb, ub=ub, seed=seed),
),
Strategy(
lb=lb,
ub=ub,
model=GPClassificationModel(lb=lb, ub=ub, inducing_size=10),
generator=OptimizeAcqfGenerator(
qUpperConfidenceBound, acqf_kwargs={"beta": 1.96}
),
n_trials=n_opt,
),
]
strat = SequentialStrategy(model_list)
for _i in range(n_init + n_opt):
next_x = strat.gen()
strat.add_data(next_x, [bernoulli.rvs(norm.cdf(f_1d(next_x)))])
with self.assertWarns(RuntimeWarning):
strat.gen()
def test_opt_strategy_single(self):
lbs = [[-1], [-10]]
ubs = [[1], [-8]]
n = [3, 5]
strat_list = []
for lb, ub, n in zip(lbs, ubs, n):
gen = SobolGenerator(lb, ub)
strat = Strategy(n, gen, lb, ub)
strat_list.append(strat)
strat = SequentialStrategy(strat_list)
out = np.zeros(8)
for i in range(8):
next_x = strat.gen()
strat.add_data(next_x, [1])
out[i] = next_x
gen1 = out[:3]
gen2 = out[3:]
self.assertTrue(np.min(gen1) >= -1)
self.assertTrue(np.min(gen2) >= -10)
self.assertTrue(np.max(gen1) <= 1)
self.assertTrue(np.max(gen2) <= -8)