def fit_gpytorch_model(mll: MarginalLogLikelihood,
optimizer: Callable = fit_gpytorch_scipy,
**kwargs: Any) -> MarginalLogLikelihood:
r"""Fit hyperparameters of a gpytorch model.
Optimizer functions are in botorch.optim.fit.
Args:
mll: MarginalLogLikelihood to be maximized.
optimizer: The optimizer function.
kwargs: Arguments passed along to the optimizer function.
Returns:
MarginalLogLikelihood with optimized parameters.
Example:
>>> gp = SingleTaskGP(train_X, train_Y)
>>> mll = ExactMarginalLogLikelihood(gp.likelihood, gp)
>>> fit_gpytorch_model(mll)
"""
mll.train()
mll, _ = optimizer(mll, track_iterations=False, **kwargs)
mll.eval()
return mll
def fit_gpytorch_model(
mll: MarginalLogLikelihood, optimizer: Callable = fit_gpytorch_scipy, **kwargs: Any
) -> MarginalLogLikelihood:
r"""Fit hyperparameters of a gpytorch model.
Optimizer functions are in botorch.optim.fit.
Args:
mll: MarginalLogLikelihood to be maximized.
optimizer: The optimizer function.
kwargs: Arguments passed along to the optimizer function.
Returns:
MarginalLogLikelihood with optimized parameters.
Example:
>>> gp = SingleTaskGP(train_X, train_Y)
>>> mll = ExactMarginalLogLikelihood(gp.likelihood, gp)
>>> fit_gpytorch_model(mll)
"""
mll.train()
mll, _ = optimizer(mll, track_iterations=False, **kwargs)
mll.eval()
return mll
def fit_gpytorch_model(mll: MarginalLogLikelihood,
optimizer: Callable = fit_gpytorch_scipy,
**kwargs: Any) -> MarginalLogLikelihood:
r"""Fit hyperparameters of a GPyTorch model.
On optimizer failures, a new initial condition is sampled from the
hyperparameter priors and optimization is retried. The maximum number of
retries can be passed in as a `max_retries` kwarg (default is 5).
Optimizer functions are in botorch.optim.fit.
Args:
mll: MarginalLogLikelihood to be maximized.
optimizer: The optimizer function.
kwargs: Arguments passed along to the optimizer function, including
`max_retries` and `sequential` (controls the fitting of `ModelListGP`
and `BatchedMultiOutputGPyTorchModel` models) or `approx_mll`
(whether to use gpytorch's approximate MLL computation).
Returns:
MarginalLogLikelihood with optimized parameters.
Example:
>>> gp = SingleTaskGP(train_X, train_Y)
>>> mll = ExactMarginalLogLikelihood(gp.likelihood, gp)
>>> fit_gpytorch_model(mll)
"""
sequential = kwargs.pop("sequential", True)
max_retries = kwargs.pop("max_retries", 5)
if isinstance(mll, SumMarginalLogLikelihood) and sequential:
for mll_ in mll.mlls:
fit_gpytorch_model(mll=mll_,
optimizer=optimizer,
max_retries=max_retries,
**kwargs)
return mll
elif (isinstance(mll.model, BatchedMultiOutputGPyTorchModel)
and mll.model._num_outputs > 1 and sequential):
tf = None
try: # check if backwards-conversion is possible
# remove the outcome transform since the training targets are already
# transformed and the outcome transform cannot currently be split.
# TODO: support splitting outcome transforms.
if hasattr(mll.model, "outcome_transform"):
tf = mll.model.outcome_transform
mll.model.outcome_transform = None
model_list = batched_to_model_list(mll.model)
mll_ = SumMarginalLogLikelihood(model_list.likelihood, model_list)
fit_gpytorch_model(
mll=mll_,
optimizer=optimizer,
sequential=True,
max_retries=max_retries,
**kwargs,
)
model_ = model_list_to_batched(mll_.model)
mll.model.load_state_dict(model_.state_dict())
# setting the transformed inputs is necessary because gpytorch
# stores the raw training inputs on the ExactGP in the
# ExactGP.__init__ call. At evaluation time, the test inputs will
# already be in the transformed space if some transforms have
# transform_on_eval set to False. ExactGP.__call__ will
# concatenate the test points with the training inputs. Therefore,
# it is important to set the ExactGP's train_inputs to also be
# transformed data using all transforms (including the transforms
# with transform_on_train set to True).
mll.train()
if tf is not None:
mll.model.outcome_transform = tf
return mll.eval()
# NotImplementedError is omitted since it derives from RuntimeError
except (UnsupportedError, RuntimeError, AttributeError):
warnings.warn(FAILED_CONVERSION_MSG, BotorchWarning)
if tf is not None:
mll.model.outcome_transform = tf
return fit_gpytorch_model(mll=mll,
optimizer=optimizer,
sequential=False,
max_retries=max_retries)
# retry with random samples from the priors upon failure
mll.train()
original_state_dict = deepcopy(mll.model.state_dict())
retry = 0
while retry < max_retries:
with warnings.catch_warnings(record=True) as ws:
if retry > 0: # use normal initial conditions on first try
mll.model.load_state_dict(original_state_dict)
sample_all_priors(mll.model)
try:
mll, _ = optimizer(mll, track_iterations=False, **kwargs)
except NotPSDError:
retry += 1
logging.log(
logging.DEBUG,
f"Fitting failed on try {retry} due to a NotPSDError.",
)
continue
has_optwarning = False
for w in ws:
# Do not count reaching `maxiter` as an optimization failure.
if "ITERATIONS REACHED LIMIT" in str(w.message):
logging.log(
logging.DEBUG,
"Fitting ended early due to reaching the iteration limit.",
)
continue
has_optwarning |= issubclass(w.category, OptimizationWarning)
warnings.warn(w.message, w.category)
if not has_optwarning:
mll.eval()
return mll
retry += 1
logging.log(logging.DEBUG, f"Fitting failed on try {retry}.")
warnings.warn("Fitting failed on all retries.", OptimizationWarning)
return mll.eval()
def fit_gpytorch_model(mll: MarginalLogLikelihood,
optimizer: Callable = fit_gpytorch_scipy,
**kwargs: Any) -> MarginalLogLikelihood:
r"""Fit hyperparameters of a GPyTorch model.
On optimizer failures, a new initial condition is sampled from the
hyperparameter priors and optimization is retried. The maximum number of
retries can be passed in as a `max_retries` kwarg (default is 5).
Optimizer functions are in botorch.optim.fit.
Args:
mll: MarginalLogLikelihood to be maximized.
optimizer: The optimizer function.
kwargs: Arguments passed along to the optimizer function, including
`max_retries` and `sequential` (controls the fitting of `ModelListGP`
and `BatchedMultiOutputGPyTorchModel` models).
Returns:
MarginalLogLikelihood with optimized parameters.
Example:
>>> gp = SingleTaskGP(train_X, train_Y)
>>> mll = ExactMarginalLogLikelihood(gp.likelihood, gp)
>>> fit_gpytorch_model(mll)
"""
sequential = kwargs.pop("sequential", True)
max_retries = kwargs.pop("max_retries", 5)
if isinstance(mll, SumMarginalLogLikelihood) and sequential:
for mll_ in mll.mlls:
fit_gpytorch_model(mll=mll_,
optimizer=optimizer,
max_retries=max_retries,
**kwargs)
return mll
elif (isinstance(mll.model, BatchedMultiOutputGPyTorchModel)
and mll.model._num_outputs > 1 and sequential):
try: # check if backwards-conversion is possible
model_list = batched_to_model_list(mll.model)
model_ = model_list_to_batched(model_list)
mll_ = SumMarginalLogLikelihood(model_list.likelihood, model_list)
fit_gpytorch_model(
mll=mll_,
optimizer=optimizer,
sequential=True,
max_retries=max_retries,
**kwargs,
)
model_ = model_list_to_batched(mll_.model)
mll.model.load_state_dict(model_.state_dict())
return mll.eval()
except (NotImplementedError, UnsupportedError, RuntimeError,
AttributeError):
warnings.warn(FAILED_CONVERSION_MSG, BotorchWarning)
return fit_gpytorch_model(mll=mll,
optimizer=optimizer,
sequential=False,
max_retries=max_retries)
# retry with random samples from the priors upon failure
mll.train()
original_state_dict = deepcopy(mll.model.state_dict())
retry = 0
while retry < max_retries:
with warnings.catch_warnings(record=True) as ws:
if retry > 0: # use normal initial conditions on first try
mll.model.load_state_dict(original_state_dict)
sample_all_priors(mll.model)
mll, _ = optimizer(mll, track_iterations=False, **kwargs)
if not any(
issubclass(w.category, OptimizationWarning) for w in ws):
mll.eval()
return mll
retry += 1
logging.log(logging.DEBUG, f"Fitting failed on try {retry}.")
warnings.warn("Fitting failed on all retries.", OptimizationWarning)
return mll.eval()
