def test_pyro_bayesian_regression(save_path):
use_gpu = int(torch.cuda.is_available())
adata = synthetic_iid()
# add index for each cell (provided to pyro plate for correct minibatching)
adata.obs["_indices"] = np.arange(adata.n_obs).astype("int64")
register_tensor_from_anndata(
adata,
registry_key="ind_x",
adata_attr_name="obs",
adata_key_name="_indices",
)
train_dl = AnnDataLoader(adata, shuffle=True, batch_size=128)
pyro.clear_param_store()
model = BayesianRegressionModule(in_features=adata.shape[1],
out_features=1)
plan = PyroTrainingPlan(model)
plan.n_obs_training = len(train_dl.indices)
trainer = Trainer(
gpus=use_gpu,
max_epochs=2,
)
trainer.fit(plan, train_dl)
if use_gpu == 1:
model.cuda()
# test Predictive
num_samples = 5
predictive = model.create_predictive(num_samples=num_samples)
for tensor_dict in train_dl:
args, kwargs = model._get_fn_args_from_batch(tensor_dict)
_ = {
k: v.detach().cpu().numpy()
for k, v in predictive(*args, **kwargs).items() if k != "obs"
}
# test save and load
# cpu/gpu has minor difference
model.cpu()
quants = model.guide.quantiles([0.5])
sigma_median = quants["sigma"][0].detach().cpu().numpy()
linear_median = quants["linear.weight"][0].detach().cpu().numpy()
model_save_path = os.path.join(save_path, "model_params.pt")
torch.save(model.state_dict(), model_save_path)
pyro.clear_param_store()
new_model = BayesianRegressionModule(in_features=adata.shape[1],
out_features=1)
# run model one step to get autoguide params
try:
new_model.load_state_dict(torch.load(model_save_path))
except RuntimeError as err:
if isinstance(new_model, PyroBaseModuleClass):
plan = PyroTrainingPlan(new_model)
plan.n_obs_training = len(train_dl.indices)
trainer = Trainer(
gpus=use_gpu,
max_steps=1,
)
trainer.fit(plan, train_dl)
new_model.load_state_dict(torch.load(model_save_path))
else:
raise err
quants = new_model.guide.quantiles([0.5])
sigma_median_new = quants["sigma"][0].detach().cpu().numpy()
linear_median_new = quants["linear.weight"][0].detach().cpu().numpy()
np.testing.assert_array_equal(sigma_median_new, sigma_median)
np.testing.assert_array_equal(linear_median_new, linear_median)
def train(
self,
max_epochs: Optional[int] = None,
use_gpu: Optional[Union[str, int, bool]] = None,
train_size: float = 0.9,
validation_size: Optional[float] = None,
batch_size: int = 128,
early_stopping: bool = False,
lr: Optional[float] = None,
plan_kwargs: Optional[dict] = None,
**trainer_kwargs,
):
"""
Train the model.
Parameters
----------
max_epochs
Number of passes through the dataset. If `None`, defaults to
`np.min([round((20000 / n_cells) * 400), 400])`
use_gpu
Use default GPU if available (if None or True), or index of GPU to use (if int),
or name of GPU (if str, e.g., `'cuda:0'`), or use CPU (if False).
train_size
Size of training set in the range [0.0, 1.0].
validation_size
Size of the test set. If `None`, defaults to 1 - `train_size`. If
`train_size + validation_size < 1`, the remaining cells belong to a test set.
batch_size
Minibatch size to use during training. If `None`, no minibatching occurs and all
data is copied to device (e.g., GPU).
early_stopping
Perform early stopping. Additional arguments can be passed in `**kwargs`.
See :class:`~scvi.train.Trainer` for further options.
lr
Optimiser learning rate (default optimiser is :class:`~pyro.optim.ClippedAdam`).
Specifying optimiser via plan_kwargs overrides this choice of lr.
plan_kwargs
Keyword args for :class:`~scvi.train.TrainingPlan`. Keyword arguments passed to
`train()` will overwrite values present in `plan_kwargs`, when appropriate.
**trainer_kwargs
Other keyword args for :class:`~scvi.train.Trainer`.
"""
if max_epochs is None:
n_obs = self.adata.n_obs
max_epochs = np.min([round((20000 / n_obs) * 1000), 1000])
plan_kwargs = plan_kwargs if isinstance(plan_kwargs, dict) else dict()
if lr is not None and "optim" not in plan_kwargs.keys():
plan_kwargs.update({"optim_kwargs": {"lr": lr}})
if batch_size is None:
# use data splitter which moves data to GPU once
data_splitter = DeviceBackedDataSplitter(
self.adata,
train_size=train_size,
validation_size=validation_size,
batch_size=batch_size,
use_gpu=use_gpu,
)
else:
data_splitter = DataSplitter(
self.adata,
train_size=train_size,
validation_size=validation_size,
batch_size=batch_size,
use_gpu=use_gpu,
)
training_plan = PyroTrainingPlan(pyro_module=self.module,
**plan_kwargs)
es = "early_stopping"
trainer_kwargs[es] = (early_stopping
if es not in trainer_kwargs.keys() else
trainer_kwargs[es])
data_splitter.setup()
if "callbacks" not in trainer_kwargs.keys():
trainer_kwargs["callbacks"] = []
trainer_kwargs["callbacks"].append(
PyroJitGuideWarmup(data_splitter.train_dataloader()))
runner = TrainRunner(
self,
training_plan=training_plan,
data_splitter=data_splitter,
max_epochs=max_epochs,
use_gpu=use_gpu,
**trainer_kwargs,
)
return runner()