scvi.model.SCANVI#
- class scvi.model.SCANVI(adata=None, registry=None, n_hidden=128, n_latent=10, n_layers=1, dropout_rate=0.1, dispersion='gene', gene_likelihood='zinb', use_observed_lib_size=True, linear_classifier=False, datamodule=None, **model_kwargs)[source]#
Single-cell annotation using variational inference [Xu et al., 2021].
Inspired from M1 + M2 model, as described in (https://arxiv.org/pdf/1406.5298.pdf).
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object that has been registered via
setup_anndata().- n_hidden
int(default:128) Number of nodes per hidden layer.
- n_latent
int(default:10) Dimensionality of the latent space.
- n_layers
int(default:1) Number of hidden layers used for encoder and decoder NNs.
- dropout_rate
float(default:0.1) Dropout rate for neural networks.
- dispersion
Literal['gene','gene-batch','gene-label','gene-cell'] (default:'gene') One of the following:
'gene'- dispersion parameter of NB is constant per gene across cells'gene-batch'- dispersion can differ between different batches'gene-label'- dispersion can differ between different labels'gene-cell'- dispersion can differ for every gene in every cell
- gene_likelihood
Literal['zinb','nb','poisson'] (default:'zinb') One of:
'nb'- Negative binomial distribution'zinb'- Zero-inflated negative binomial distribution'poisson'- Poisson distribution
- use_observed_lib_size
bool(default:True) If
True, use the observed library size for RNA as the scaling factor in the mean of the conditional distribution.- linear_classifier
bool(default:False) If
True, uses a single linear layer for classification instead of a multi-layer perceptron.- **model_kwargs
Keyword args for
SCANVAE
- adata anndata.AnnData |
Examples
>>> adata = anndata.read_h5ad(path_to_anndata) >>> scvi.model.SCANVI.setup_anndata(adata, batch_key="batch", labels_key="labels") >>> vae = scvi.model.SCANVI(adata, "Unknown") >>> vae.train() >>> adata.obsm["X_scVI"] = vae.get_latent_representation() >>> adata.obs["pred_label"] = vae.predict()
Notes
See further usage examples in the following tutorials:
Attributes table#
Data attached to model instance. |
|
Manager instance associated with self.adata. |
|
The current device that the module's params are on. |
|
What the get normalized functions name is |
|
Returns computed metrics during training. |
|
Whether the model has been trained. |
|
The type of minified data associated with this model, if applicable. |
|
Data attached to model instance. |
|
Returns the run id of the model. |
|
Returns the run name of the model. |
|
Summary string of the model. |
|
Observations that are in test set. |
|
Observations that are in train set. |
|
Observations that are in validation set. |
Methods table#
|
Converts a legacy saved model (<v0.15.0) to the updated save format. |
|
Returns the object in AnnData associated with the key in the data registry. |
|
Deregisters the |
|
Compute the differential abundance between samples. |
|
A unified method for differential expression analysis. |
|
Initialize scanVI model with weights from pretrained |
|
Compute the aggregated posterior over the |
|
Retrieves the |
|
Compute the evidence lower bound (ELBO) on the data. |
|
Generate gene-gene correlation matrix using scvi uncertainty and expression. |
|
Returns the object in AnnData associated with the key in the data registry. |
|
Computes importance weights for the given samples. |
|
Returns the latent library size for each cell. |
|
Compute the latent representation of the data. |
|
Estimates for the parameters of the likelihood \(p(x \mid z)\). |
|
Compute the marginal log-likehood of the data. |
|
Returns the normalized (decoded) gene expression. |
|
Get the ranked gene list based on highest attributions. |
|
Compute the reconstruction error on the data. |
|
Returns the string provided to setup of a specific setup_arg. |
|
Returns the state registry for the AnnDataField registered with this instance. |
|
Variable names of input data. |
|
Instantiate a model from the saved output. |
|
Online update of a reference model with scArches algorithm [Lotfollahi et al., 2021]. |
|
Return the full registry saved with the model. |
|
Minify the model's |
|
Generate predictive samples from the posterior predictive distribution. |
|
Return cell label predictions. |
|
Prepare data for query integration. |
|
Prepare multimodal dataset for query integration. |
|
Registers an |
|
Save the state of the model. |
|
Set up a model from on-disk AnnData files via the annbatch streaming loader. |
|
Sets up the |
SHAP Operator (gives soft predictions gives data X) |
|
|
Run SHAP interpreter for a trained model and gives back shap values |
|
Move the model to the device. |
|
Train the model. |
|
Transfer fields from a model to an AnnData object. |
|
Update setup method args. |
|
Print summary of the setup for the initial AnnData or a given AnnData object. |
|
Prints summary of the registry. |
|
Print args used to setup a saved model. |
Prints setup kwargs used to produce a given registry. |
Attributes#
- SCANVI.adata#
Data attached to model instance.
- SCANVI.adata_manager#
Manager instance associated with self.adata.
- SCANVI.device#
The current device that the module’s params are on.
- SCANVI.get_normalized_function_name#
What the get normalized functions name is
- SCANVI.history#
Returns computed metrics during training.
- SCANVI.is_trained#
Whether the model has been trained.
- SCANVI.minified_data_type#
The type of minified data associated with this model, if applicable.
- SCANVI.registry#
Data attached to model instance.
- SCANVI.run_id#
Returns the run id of the model. Used in MLFlow
- SCANVI.run_name#
Returns the run name of the model. Used in MLFlow
- SCANVI.summary_string#
Summary string of the model.
- SCANVI.test_indices#
Observations that are in test set.
- SCANVI.train_indices#
Observations that are in train set.
- SCANVI.validation_indices#
Observations that are in validation set.
Methods#
- classmethod SCANVI.convert_legacy_save(dir_path, output_dir_path, overwrite=False, prefix=None, **save_kwargs)[source]#
Converts a legacy saved model (<v0.15.0) to the updated save format.
- Parameters:
- dir_path
str Path to the directory where the legacy model is saved.
- output_dir_path
str Path to save converted save files.
- overwrite
bool(default:False) Overwrite existing data or not. If
Falseand directory already exists atoutput_dir_path, an error will be raised.- prefix
str|None(default:None) Prefix of saved file names.
- **save_kwargs
Keyword arguments passed into
save().
- dir_path
- Return type:
- SCANVI.data_registry(registry_key)[source]#
Returns the object in AnnData associated with the key in the data registry.
- SCANVI.deregister_manager(adata=None)[source]#
Deregisters the
AnnDataManagerinstance associated withadata.If
adataisNone, deregisters allAnnDataManagerinstances in both the class and instance-specific manager stores, except for the one associated with this model instance.
- SCANVI.differential_abundance(adata=None, adata_sub=None, sample_key=None, batch_size=128, num_cells_posterior=None, dof=None, dataloader=None)[source]#
Compute the differential abundance between samples.
Computes the log probabilities of each sample conditioned on the estimated aggregate posterior distribution of each cell.
- Parameters:
- adata
AnnData|MuData|None(default:None) The full data object used to compute each aggregated posterior. Defaults to the AnnData object used to initialize the model.
- adata_sub
AnnData|MuData|None(default:None) The data object to compute the differential abundance for. For very large datasets, this should be used to pass in a subset of the full data object. The aggregated posteriors are still computed from the full data object. The resulting log_probs matrix is stored in adata_sub.obsm
- sample_key
str|None(default:None) Key for the sample covariate.
- batch_size
int(default:128) Minibatch size for computing the differential abundance.
- num_cells_posterior
int|None(default:None) Maximum number of cells used to compute aggregated posterior for each sample.
- dof
float|None(default:None) Degrees of freedom for the Student’s t-distribution components for aggregated posterior. If
None, components are Normal.- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) Inference dataloader to materialize when the model was initialized without AnnData.
- adata
- SCANVI.differential_expression(adata=None, groupby=None, group1=None, group2=None, idx1=None, idx2=None, mode='vanilla', delta=0.25, batch_size=None, all_stats=True, batch_correction=False, batchid1=None, batchid2=None, fdr_target=0.05, silent=False, weights='uniform', filter_outlier_cells=False, importance_weighting_kwargs=None, dataloader=None, **kwargs)[source]#
A unified method for differential expression analysis.
Implements
'vanilla'DE [Lopez et al., 2018] and'change'mode DE [Boyeau et al., 2019].- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object with equivalent structure to initial AnnData. If None, defaults to the AnnData object used to initialize the model.
- groupby
str|None(default:None) The key of the observations grouping to consider.
- group1
list[str] |None(default:None) Subset of groups, e.g. [
'g1','g2','g3'], to which comparison shall be restricted, or all groups ingroupby(default).- group2
str|None(default:None) If
None, compare each group ingroup1to the union of the rest of the groups ingroupby. If a group identifier, compare with respect to this group.- idx1
list[int] |list[bool] |str|None(default:None) idx1andidx2can be used as an alternative to the AnnData keys. Custom identifier forgroup1that can be of three sorts: (1) a boolean mask, (2) indices, or (3) a string. If it is a string, then it will query indices that verifies conditions onadata.obs, as described inpandas.DataFrame.query()Ifidx1is notNone, this option overridesgroup1andgroup2.- idx2
list[int] |list[bool] |str|None(default:None) Custom identifier for
group2that has the same properties asidx1. By default, includes all cells not specified inidx1.- mode
Literal['vanilla','change'] (default:'vanilla') Method for differential expression. See user guide for full explanation.
- delta
float(default:0.25) specific case of region inducing differential expression. In this case, we suppose that \(R \setminus [-\delta, \delta]\) does not induce differential expression (change model default case).
- batch_size
int|None(default:None) Minibatch size for data loading into model. Defaults to
scvi.settings.batch_size.- all_stats
bool(default:True) Concatenate count statistics (e.g., mean expression group 1) to DE results.
- batch_correction
bool(default:False) Whether to correct for batch effects in DE inference.
- batchid1
list[str] |None(default:None) Subset of categories from
batch_keyregistered insetup_anndata, e.g. ['batch1','batch2','batch3'], forgroup1. Only used ifbatch_correctionisTrue, and by default all categories are used.- batchid2
list[str] |None(default:None) Same as
batchid1for group2.batchid2must either have null intersection withbatchid1, or be exactly equal tobatchid1. When the two sets are exactly equal, cells are compared by decoding on the same batch. When sets have null intersection, cells fromgroup1andgroup2are decoded on each group ingroup1andgroup2, respectively.- fdr_target
float(default:0.05) Tag features as DE based on posterior expected false discovery rate.
- silent
bool(default:False) If True, disables the progress bar. Default: False.
- weights
Literal['uniform','importance'] |None(default:'uniform') Weights to use for sampling. If
None, defaults to"uniform".- filter_outlier_cells
bool(default:False) Whether to filter outlier cells with
filter_outlier_cells().- importance_weighting_kwargs
dict|None(default:None) Keyword arguments passed into
get_importance_weights().- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) Inference dataloader to materialize when the model was initialized without AnnData.
- **kwargs
Keyword args for
scvi.model.base.DifferentialComputation.get_bayes_factors()
- adata anndata.AnnData |
- Return type:
- Returns:
Differential expression DataFrame.
- classmethod SCANVI.from_scvi_model(scvi_model, unlabeled_category, labels_key=None, adata=None, registry=None, **scanvi_kwargs)[source]#
Initialize scanVI model with weights from pretrained
SCVImodel.- Parameters:
- scvi_model
SCVI Pretrained scvi model
- labels_key
str|None(default:None) key in
adata.obsfor label information. Label categories can not be different if labels_key was used to setup the SCVI model. If None, uses thelabels_keyused to setup the SCVI model. If that was None, and error is raised.- unlabeled_category
str Value used for unlabeled cells in
labels_keyused to setup AnnData with scvi.- adata anndata.AnnData |
None(default:None) AnnData object that has been registered via
setup_anndata().- registry
dict|None(default:None) Registry of the datamodule used to train scANVI model.
- scanvi_kwargs
kwargs for scANVI model
- scvi_model
- SCANVI.get_aggregated_posterior(adata=None, indices=None, batch_size=None, dof=3.0)[source]#
Compute the aggregated posterior over the
ulatent representations.- Parameters:
- adata
AnnData|MuData|None(default:None) AnnData object to use. Defaults to the AnnData object used to initialize the model.
- indices
Sequence[int] |None(default:None) Indices of cells to use.
- batch_size
int|None(default:None) Batch size to use for computing the latent representation.
- dof
float|None(default:3.0) Degrees of freedom for the Student’s t-distribution components. If
None, components are Normal.
- adata
- Return type:
- Returns:
A mixture distribution of the aggregated posterior.
- SCANVI.get_anndata_manager(adata, required=False)[source]#
Retrieves the
AnnDataManagerfor a given AnnData object.Requires
self.idhas been set. Checks for anAnnDataManagerspecific to this model instance.- Parameters:
- Return type:
- SCANVI.get_elbo(adata=None, indices=None, batch_size=None, dataloader=None, return_mean=True, data_loader_kwargs=None, **kwargs)[source]#
Compute the evidence lower bound (ELBO) on the data.
The ELBO is the reconstruction error plus the Kullback-Leibler (KL) divergences between the variational distributions and the priors. It is different from the marginal log-likelihood; specifically, it is a lower bound on the marginal log-likelihood plus a term that is constant with respect to the variational distribution. It still gives good insights on the modeling of the data and is fast to compute.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnDataobject withvar_namesin the same order as the ones used to train the model. IfNoneanddataloaderis alsoNone, it defaults to the object used to initialize the model.- indices
Sequence[int] |None(default:None) Indices of observations in
adatato use. IfNone, defaults to all observations. Ignored ifdataloaderis notNone.- batch_size
int|None(default:None) Minibatch size for the forward pass. If
None, defaults toscvi.settings.batch_size. Ignored ifdataloaderis notNone.- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- return_mean
bool(default:True) Whether to return the mean of the ELBO or the ELBO for each observation.
- data_loader_kwargs
dict|None(default:None) Keyword args for data loader, in dict form.
- **kwargs
Additional keyword arguments to pass into the forward method of the module.
- adata anndata.AnnData |
- Return type:
- Returns:
Evidence lower bound (ELBO) of the data.
Notes
This is not the negative ELBO, so higher is better.
- SCANVI.get_feature_correlation_matrix(adata=None, indices=None, n_samples=10, batch_size=64, rna_size_factor=1000, transform_batch=None, correlation_type='spearman', silent=True)[source]#
Generate gene-gene correlation matrix using scvi uncertainty and expression.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object with equivalent structure to initial AnnData. If
None, defaults to the AnnData object used to initialize the model.- indices
list[int] |None(default:None) Indices of cells in adata to use. If
None, all cells are used.- n_samples
int(default:10) Number of posterior samples to use for estimation.
- batch_size
int(default:64) Minibatch size for data loading into model. Defaults to
scvi.settings.batch_size.- rna_size_factor
int(default:1000) size factor for RNA prior to sampling gamma distribution.
- transform_batch
list[int|float|str] |None(default:None) Batches to condition on. If transform_batch is:
None, then real observed batch is used.
int, then batch transform_batch is used.
list of int, then values are averaged over provided batches.
- correlation_type
Literal['spearman','pearson'] (default:'spearman') One of “pearson”, “spearman”.
- silent
bool(default:True) If True, disables the progress bar. Default: False.
- adata anndata.AnnData |
- Return type:
- Returns:
Gene-gene correlation matrix
- SCANVI.get_from_registry(adata, registry_key)[source]#
Returns the object in AnnData associated with the key in the data registry.
AnnData object should be registered with the model prior to calling this function via the
self._validate_anndatamethod.
- SCANVI.get_importance_weights(adata, indices, qz, px, zs, max_cells=1024, truncation=False, n_mc_samples=500, n_mc_samples_per_pass=250, **data_loader_kwargs)[source]#
Computes importance weights for the given samples.
This method computes importance weights for every latent code in
zsas a way to encourage latent codes providing high likelihoods across many cells in the considered subpopulation.- Parameters:
- adata anndata.AnnData |
None Data to use for computing importance weights.
- indices
list[int] |None Indices of cells in adata to use.
- distributions
Dictionary of distributions associated with
indices.- qz
Distribution Variational posterior distributions of the cells, aligned with
indices.- px
Distribution Count distributions of the cells, aligned with
indices.- zs
Tensor Samples associated with
indices.- max_cells
int(default:1024) Maximum number of cells used to estimated the importance weights
- truncation
bool(default:False) Whether importance weights should be truncated. If True, the importance weights are truncated as described in [Ionides, 2008]. In particular, the provided value is used to threshold importance weights as a way to reduce the variance of the estimator.
- n_mc_samples
int(default:500) Number of Monte Carlo samples to use for estimating the importance weights, by default 500
- n_mc_samples_per_pass
int(default:250) Number of Monte Carlo samples to use for each pass, by default 250
- **data_loader_kwargs
Keyword args for data loader.
- adata anndata.AnnData |
- Return type:
- Returns:
importance_weights Numpy array containing importance weights aligned with the provided
indices.
Notes
This method assumes a normal prior on the latent space.
- SCANVI.get_latent_library_size(adata=None, indices=None, give_mean=True, batch_size=None, dataloader=None, **data_loader_kwargs)[source]#
Returns the latent library size for each cell.
This is denoted as \(\ell_n\) in the scVI paper.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object with equivalent structure to initial AnnData. If
None, defaults to the AnnData object used to initialize the model.- indices
list[int] |None(default:None) Indices of cells in adata to use. If
None, all cells are used.- give_mean
bool(default:True) Return the mean or a sample from the posterior distribution.
- batch_size
int|None(default:None) Minibatch size for data loading into model. Defaults to
scvi.settings.batch_size.- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- **data_loader_kwargs
Keyword args for data loader.
- adata anndata.AnnData |
- Return type:
- SCANVI.get_latent_representation(adata=None, indices=None, give_mean=True, mc_samples=5000, batch_size=None, return_dist=False, dataloader=None, **data_loader_kwargs)[source]#
Compute the latent representation of the data.
This is typically denoted as \(z_n\).
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnDataobject withvar_namesin the same order as the ones used to train the model. IfNoneanddataloaderis alsoNone, it defaults to the object used to initialize the model.- indices
Sequence[int] |None(default:None) Indices of observations in
adatato use. IfNone, defaults to all observations. Ignored ifdataloaderis notNone- give_mean
bool(default:True) If
True, returns the mean of the latent distribution. IfFalse, returns an estimate of the mean usingmc_samplesMonte Carlo samples.- mc_samples
int(default:5000) Number of Monte Carlo samples to use for the estimator for distributions with no closed-form mean (e.g., the logistic normal distribution). Not used if
give_meanisTrueor ifreturn_distisTrue.- batch_size
int|None(default:None) Minibatch size for the forward pass. If
None, defaults toscvi.settings.batch_size. Ignored ifdataloaderis notNone- return_dist
bool(default:False) If
True, returns the mean and variance of the latent distribution. Otherwise, returns the mean of the latent distribution.- dataloader
Iterator[dict[str, torch.Tensor |None]] (default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- **data_loader_kwargs
Keyword args for data loader.
- adata anndata.AnnData |
- Return type:
- Returns:
An array of shape
(n_obs, n_latent)ifreturn_distisFalse. Otherwise, returns a tuple of arrays(n_obs, n_latent)with the mean and variance of the latent distribution.
- SCANVI.get_likelihood_parameters(adata=None, indices=None, n_samples=1, give_mean=False, batch_size=None, dataloader=None, **data_loader_kwargs)[source]#
Estimates for the parameters of the likelihood \(p(x \mid z)\).
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object with equivalent structure to initial AnnData. If
None, defaults to the AnnData object used to initialize the model.- indices
list[int] |None(default:None) Indices of cells in adata to use. If
None, all cells are used.- n_samples
int|None(default:1) Number of posterior samples to use for estimation.
- give_mean
bool|None(default:False) Return expected value of parameters or a samples
- batch_size
int|None(default:None) Minibatch size for data loading into model. Defaults to
scvi.settings.batch_size.- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- **data_loader_kwargs
Keyword args for data loader.
- adata anndata.AnnData |
- Return type:
- SCANVI.get_marginal_ll(adata=None, indices=None, n_mc_samples=1000, batch_size=None, return_mean=True, dataloader=None, data_loader_kwargs=None, **kwargs)[source]#
Compute the marginal log-likehood of the data.
The computation here is a biased estimator of the marginal log-likelihood of the data.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnDataobject withvar_namesin the same order as the ones used to train the model. IfNoneanddataloaderis alsoNone, it defaults to the object used to initialize the model.- indices
Sequence[int] |None(default:None) Indices of observations in
adatato use. IfNone, defaults to all observations. Ignored ifdataloaderis notNone.- n_mc_samples
int(default:1000) Number of Monte Carlo samples to use for the estimator. Passed into the module’s
marginal_llmethod.- batch_size
int|None(default:None) Minibatch size for the forward pass. If
None, defaults toscvi.settings.batch_size. Ignored ifdataloaderis notNone.- return_mean
bool(default:True) Whether to return the mean of the marginal log-likelihood or the marginal-log likelihood for each observation.
- dataloader
Iterator[dict[str, torch.Tensor |None]] (default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- data_loader_kwargs
dict|None(default:None) Keyword args for data loader, in dict form.
- **kwargs
Additional keyword arguments to pass into the module’s
marginal_llmethod.
- adata anndata.AnnData |
- Return type:
float| torch.Tensor- Returns:
If
True, returns the mean marginal log-likelihood. Otherwise returns a tensor of shape(n_obs,)with the marginal log-likelihood for each observation.
Notes
This is not the negative log-likelihood, so higher is better.
- SCANVI.get_normalized_expression(adata=None, indices=None, transform_batch=None, gene_list=None, library_size=1, n_samples=1, n_samples_overall=None, weights=None, batch_size=None, return_mean=True, return_numpy=None, silent=True, dataloader=None, data_loader_kwargs=None, **importance_weighting_kwargs)[source]#
Returns the normalized (decoded) gene expression.
This is denoted as \(\rho_n\) in the scVI paper.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnData object with equivalent structure to initial AnnData. If
None, defaults to the AnnData object used to initialize the model.- indices
list[int] |None(default:None) Indices of cells in adata to use. If
None, all cells are used.- transform_batch
list[int|float|str] |None(default:None) Batch to condition on. If transform_batch is: - None, then real observed batch is used. - int, then batch transform_batch is used. - Otherwise based on string
- gene_list
list[str] |None(default:None) Return frequencies of expression for a subset of genes. This can save memory when working with large datasets and few genes are of interest.
- library_size
float|Literal['latent'] (default:1) Scale the expression frequencies to a common library size. This allows gene expression levels to be interpreted on a common scale of relevant magnitude. If set to
"latent", use the latent library size.- n_samples
int(default:1) Number of posterior samples to use for estimation.
- n_samples_overall
int(default:None) Number of posterior samples to use for estimation. Overrides
n_samples.- weights
Literal['uniform','importance'] |None(default:None) Weights to use for sampling. If
None, defaults to"uniform".- batch_size
int|None(default:None) Minibatch size for data loading into model. Defaults to
scvi.settings.batch_size.- return_mean
bool(default:True) Whether to return the mean of the samples.
- return_numpy
bool|None(default:None) Return a
ndarrayinstead of aDataFrame. DataFrame includes gene names as columns. If eithern_samples=1orreturn_mean=True, defaults toFalse. Otherwise, it defaults toTrue.- silent
bool(default:True) If True, disables the progress bar. Default: False.
- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- data_loader_kwargs
dict|None(default:None) Keyword args for data loader, in dict form.
- importance_weighting_kwargs
Keyword arguments passed into
get_importance_weights().
- adata anndata.AnnData |
- Return type:
- Returns:
If
n_samplesis provided andreturn_meanis False, this method returns a 3d tensor of shape (n_samples, n_cells, n_genes). Ifn_samplesis provided andreturn_meanis True, it returns a 2d tensor of shape (n_cells, n_genes). In this case, return type isDataFrameunlessreturn_numpyis True. Otherwise, the method expectsn_samples_overallto be provided and returns a 2d tensor of shape (n_samples_overall, n_genes).
- SCANVI.get_ranked_features(adata=None, attrs=None)[source]#
Get the ranked gene list based on highest attributions.
- Parameters:
- Return type:
- Returns:
pandas.DataFrame A pandas dataframe containing the ranked attributions for each gene
Examples
>>> attrs_df = model.get_ranked_features(attrs)
- SCANVI.get_reconstruction_error(adata=None, indices=None, batch_size=None, dataloader=None, return_mean=True, data_loader_kwargs=None, **kwargs)[source]#
Compute the reconstruction error on the data.
The reconstruction error is the negative log likelihood of the data given the latent variables. It is different from the marginal log-likelihood, but still gives good insights on the modeling of the data and is fast to compute. This is typically written as \(p(x \mid z)\), the likelihood term given one posterior sample.
- Parameters:
- adata anndata.AnnData |
None(default:None) AnnDataobject withvar_namesin the same order as the ones used to train the model. IfNoneanddataloaderis alsoNone, it defaults to the object used to initialize the model.- indices
Sequence[int] |None(default:None) Indices of observations in
adatato use. IfNone, defaults to all observations. Ignored ifdataloaderis notNone- batch_size
int|None(default:None) Minibatch size for the forward pass. If
None, defaults toscvi.settings.batch_size. Ignored ifdataloaderis notNone- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- return_mean
bool(default:True) Whether to return the mean reconstruction loss or the reconstruction loss for each observation.
- data_loader_kwargs
dict|None(default:None) Keyword args for data loader, in dict form.
- **kwargs
Additional keyword arguments to pass into the forward method of the module.
- adata anndata.AnnData |
- Return type:
- Returns:
Reconstruction error for the data.
Notes
This is not the negative reconstruction error, so higher is better.
- SCANVI.get_setup_arg(setup_arg)[source]#
Returns the string provided to setup of a specific setup_arg.
- Return type:
- SCANVI.get_state_registry(registry_key)[source]#
Returns the state registry for the AnnDataField registered with this instance.
- Return type:
- SCANVI.get_var_names(legacy_mudata_format=False)[source]#
Variable names of input data.
- Return type:
- classmethod SCANVI.load(dir_path, adata=None, accelerator='auto', device='auto', prefix=None, backup_url=None, datamodule=None, allowed_classes_names_list=None)[source]#
Instantiate a model from the saved output.
- Parameters:
- dir_path
str Path to saved outputs.
- adata
AnnData|MuData|None(default:None) AnnData organized in the same way as data used to train model. It is not necessary to run setup_anndata, as AnnData is validated against the saved
scvisetup dictionary. If None, will check for and load anndata saved with the model. If False, will load the model without AnnData.- accelerator
str(default:'auto') Supports passing different accelerator types
("cpu", "gpu", "tpu", "ipu", "hpu", "mps, "auto")as well as custom accelerator instances.- device
int|str(default:'auto') The device to use. Can be set to a non-negative index (
intorstr) or"auto"for automatic selection based on the chosen accelerator. If set to"auto"andacceleratoris not determined to be"cpu", thendevicewill be set to the first available device.- prefix
str|None(default:None) Prefix of saved file names.
- backup_url
str|None(default:None) URL to retrieve saved outputs from if not present on disk.
- datamodule
LightningDataModule|None(default:None) EXPERIMENTALALightningDataModuleinstance to use for training in place of the defaultDataSplitter. Can only be passed in if the model was not initialized withAnnData.- allowed_classes_names_list
list[str] |None(default:None) list of allowed classes names to be loaded (besides the original class name)
- dir_path
- Returns:
Model with loaded state dictionaries.
Examples
>>> model = ModelClass.load(save_path, adata) >>> model.get_....
- classmethod SCANVI.load_query_data(adata=None, reference_model=None, registry=None, inplace_subset_query_vars=False, accelerator='auto', device='auto', unfrozen=False, freeze_dropout=False, freeze_expression=True, freeze_decoder_first_layer=True, freeze_batchnorm_encoder=True, freeze_batchnorm_decoder=False, freeze_classifier=True, transfer_batch=True, datamodule=None)[source]#
Online update of a reference model with scArches algorithm [Lotfollahi et al., 2021].
- Parameters:
- adata
AnnData|MuData(default:None) AnnData organized in the same way as data used to train model. It is not necessary to run setup_anndata, as AnnData is validated against the
registry.- reference_model
str|BaseModelClass(default:None) Either an already instantiated model of the same class or a path to saved outputs for the reference model.
- inplace_subset_query_vars
bool(default:False) Whether to subset and rearrange query vars inplace based on vars used to train the reference model.
- accelerator
str(default:'auto') Supports passing different accelerator types
("cpu", "gpu", "tpu", "ipu", "hpu", "mps, "auto")as well as custom accelerator instances.- device
int|str(default:'auto') The device to use. Can be set to a non-negative index (
intorstr) or"auto"for automatic selection based on the chosen accelerator. If set to"auto"andacceleratoris not determined to be"cpu", thendevicewill be set to the first available device.- unfrozen
bool(default:False) Override all other freeze options for a fully unfrozen model
- freeze_dropout
bool(default:False) Whether to freeze dropout during training
- freeze_expression
bool(default:True) Freeze neurons corresponding to expression in first layer
- freeze_decoder_first_layer
bool(default:True) Freeze neurons corresponding to first layer in decoder
- freeze_batchnorm_encoder
bool(default:True) Whether to freeze batchnorm weight and bias during training for encoder
- freeze_batchnorm_decoder
bool(default:False) Whether to freeze batchnorm weight and bias during training for decoder
- freeze_classifier
bool(default:True) Whether to freeze classifier completely. Only applies to
SCANVI.- transfer_batch
bool(default:True) Allow for surgery on the batch covariate. Only applies to
SYSVI.- datamodule
LightningDataModule|None(default:None) EXPERIMENTALALightningDataModuleinstance to use for training in place of the defaultDataSplitter. Can only be passed in if the model was not initialized withAnnData.
- adata
- static SCANVI.load_registry(dir_path, prefix=None)[source]#
Return the full registry saved with the model.
- SCANVI.minify_adata(minified_data_type='latent_posterior_parameters', use_latent_qzm_key='X_latent_qzm', use_latent_qzv_key='X_latent_qzv')[source]#
Minify the model’s
adata.Minifies the
AnnDataobject associated with the model according to the method specified byminified_data_typeand registers the new fields with the model’sAnnDataManager. This also sets theminified_data_typeattribute of the underlyingBaseModuleClassinstance.- Parameters:
- minified_data_type
Literal['latent_posterior_parameters'] (default:'latent_posterior_parameters') Method for minifying the data. One of the following:
"latent_posterior_parameters": Store the latent posterior mean and variance inobsmusing the keysuse_latent_qzm_keyanduse_latent_qzv_key.
- use_latent_qzm_key
str(default:'X_latent_qzm') Key to use for storing the latent posterior mean in
obsmwhenminified_data_typeis"latent_posterior".- use_latent_qzv_key
str(default:'X_latent_qzv') Key to use for storing the latent posterior variance in
obsmwhenminified_data_typeis"latent_posterior".
- minified_data_type
- Return type:
Notes
The modification is not done inplace – instead the model is assigned a new (minified) version of the
AnnData.
- SCANVI.posterior_predictive_sample(adata=None, indices=None, transform_batch=None, n_samples=1, gene_list=None, batch_size=None, dataloader=None, silent=True, **data_loader_kwargs)[source]#
Generate predictive samples from the posterior predictive distribution.
The posterior predictive distribution is denoted as \(p(\hat{x} \mid x)\), where \(x\) is the input data and \(\hat{x}\) is the sampled data.
We sample from this distribution by first sampling
n_samplestimes from the posterior distribution \(q(z \mid x)\) for a given observation, and then sampling from the likelihood \(p(\hat{x} \mid z)\) for each of these.- Parameters:
- adata anndata.AnnData |
None(default:None) AnnDataobject with an equivalent structure to the model’s dataset. IfNone, defaults to theAnnDataobject used to initialize the model.- indices
list[int] |None(default:None) Indices of the observations in
adatato use. IfNone, defaults to all the observations.- transform_batch
list[int|float|str] |None(default:None) Batch to condition on. If transform_batch is: - None, then real observed batch is used. - int, then batch transform_batch is used. - Otherwise based on string
- n_samples
int(default:1) Number of Monte Carlo samples to draw from the posterior predictive distribution for each observation.
- gene_list
list[str] |None(default:None) Names of the genes to which to subset. If
None, defaults to all genes.- batch_size
int|None(default:None) Minibatch size to use for data loading and model inference. Defaults to
scvi.settings.batch_size. Passed intoBaseModelClass._make_data_loader.- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.- **data_loader_kwargs
Keyword args for data loader.
- adata anndata.AnnData |
- Return type:
- Returns:
Sparse multidimensional array of shape
(n_obs, n_vars)ifn_samples == 1, else(n_obs, n_vars, n_samples).
- SCANVI.predict(adata=None, indices=None, soft=False, batch_size=None, use_posterior_mean=True, ig_interpretability=False, ig_args=None, dataloader=None)[source]#
Return cell label predictions.
- Parameters:
- adata
AnnData|MuData|None(default:None) AnnData or MuData object that has been registered via the corresponding setup method in the model class.
- indices
Sequence[int] |None(default:None) Return probabilities for each class label.
- soft
bool(default:False) If True, returns per-class probabilities
- batch_size
int|None(default:None) Minibatch size for data loading into a model. Defaults to
scvi.settings.batch_size.- use_posterior_mean
bool(default:True) If
True, uses the mean of the posterior distribution to predict celltype labels. Otherwise, uses a sample from the posterior distribution - this means that the predictions will be stochastic.- ig_interpretability
bool(default:False) If True, run the integrated circuits interpretability per sample and returns a score matrix, in which for each sample we score each gene for its contribution to the sample prediction
- ig_args
dict|None(default:None) Keyword args for IntegratedGradients
- dataloader
Iterator[dict[str, torch.Tensor |None]] |None(default:None) An iterator over minibatches of data on which to compute the metric. The minibatches should be formatted as a dictionary of
Tensorwith keys as expected by the model. IfNone, a dataloader is created fromadata.
- adata
- Return type:
- static SCANVI.prepare_query_anndata(adata, reference_model, return_reference_var_names=False, inplace=True)[source]#
Prepare data for query integration.
This function will return a new AnnData object with padded zeros for missing features, as well as correctly sorted features.
- Parameters:
- adata
AnnData AnnData organized in the same way as data used to train model. It is not necessary to run setup_anndata, as AnnData is validated against the
registry.- reference_model
str|BaseModelClass Either an already instantiated model of the same class or a path to saved outputs for the reference model.
- return_reference_var_names
bool(default:False) Only load and return reference var names if True.
- inplace
bool(default:True) Whether to subset and rearrange query vars inplace or return new AnnData.
- adata
- Return type:
- Returns:
Query adata ready to use in
load_query_dataunlessreturn_reference_var_namesin which case a pd.Index of reference var names is returned.
- static SCANVI.prepare_query_mudata(mdata, reference_model, return_reference_var_names=False, inplace=True)[source]#
Prepare multimodal dataset for query integration.
This function will return a new MuData object such that the AnnData objects for individual modalities are given padded zeros for missing features, as well as correctly sorted features.
- Parameters:
- mdata
MuData MuData organized in the same way as data used to train the model. It is not necessary to run setup_mudata, as MuData is validated against the
registry.- reference_model
str|BaseModelClass Either an already instantiated model of the same class or a path to saved outputs for the reference model.
- return_reference_var_names
bool(default:False) Only load and return reference var names if True.
- inplace
bool(default:True) Whether to subset and rearrange query vars inplace or return new MuData.
- mdata
- Return type:
- Returns:
Query mudata ready to use in
load_query_dataunlessreturn_reference_var_namesin which case a dictionary of pd.Index of reference var names is returned.
- classmethod SCANVI.register_manager(adata_manager)[source]#
Registers an
AnnDataManagerinstance with this model class.Stores the
AnnDataManagerreference in a class-specific manager store. Intended for use in thesetup_anndata()class method followed up by retrieval of theAnnDataManagervia the_get_most_recent_anndata_manager()method in the model init method.Notes
Subsequent calls to this method with an
AnnDataManagerinstance referring to the same underlying AnnData object will overwrite the reference to previousAnnDataManager.
- SCANVI.save(dir_path, prefix=None, overwrite=False, save_anndata=False, save_kwargs=None, legacy_mudata_format=False, datamodule=None, **anndata_write_kwargs)[source]#
Save the state of the model.
Neither the trainer optimizer state nor the trainer history are saved. Model files are not expected to be reproducibly saved and loaded across versions until we reach version 1.0.
- Parameters:
- dir_path
str Path to a directory.
- prefix
str|None(default:None) Prefix to prepend to saved file names.
- overwrite
bool(default:False) Overwrite existing data or not. If
Falseand directory already exists atdir_path, an error will be raised.- save_anndata
bool(default:False) If True, also saves the anndata
- save_kwargs
dict|None(default:None) Keyword arguments passed into
save().- legacy_mudata_format
bool(default:False) If
True, saves the modelvar_namesin the legacy format if the model was trained with aMuDataobject. The legacy format is a flat array with variable names across all modalities concatenated, while the new format is a dictionary with keys corresponding to the modality names and values corresponding to the variable names for each modality.- datamodule
LightningDataModule|None(default:None) EXPERIMENTALALightningDataModuleinstance to use for training in place of the defaultDataSplitter. Can only be passed in if the model was not initialized withAnnData.- anndata_write_kwargs
Kwargs for
write()
- dir_path
- classmethod SCANVI.setup_annbatch(collection_path=None, paths=None, batch_key=None, labels_key=None, sample_key=None, unlabeled_category='Unknown', layer=None, categorical_covariate_keys=None, continuous_covariate_keys=None, rebuild=True, batch_size=4096, chunk_size=256, preload_nchunks=32, preload_to_gpu=True, dataset_size='20GB', shuffle=False, var_subset=None, merge=None, adatas=None, use_class_sampler=False, class_sampler_key=None, class_weights=None)[source]#
Set up a model from on-disk AnnData files via the annbatch streaming loader.
Builds (or reuses) a zarr-backed
DatasetCollectionfrom the supplied h5ad file paths, then wraps it in aAnnbatchDataModuleready for training.- Parameters:
- collection_path
str|None(default:None) Directory where the zarr collection is written (or already exists). If
None(default), a path is auto-generated as"./{ModelName}_annbatch.zarr"in the current working directory.- paths
list[str] |None(default:None) Paths to h5ad files that make up the training dataset. If
None, an existing collection atcollection_pathis opened without rebuilding — useful when the zarr store was created by a previous call. Must be provided when the store does not exist yet.- batch_key
str|None(default:None) Column in
obsto use as the batch variable.- labels_key
str|None(default:None) Column in
obsto use as the cell-type / label variable.- sample_key
str|None(default:None) Column in
obsto use as the sample variable. Used by models like MrVI.- unlabeled_category
str(default:'Unknown') Value used to mark unlabeled cells in
labels_key. Required by semi-supervised models such as SCANVI. Defaults to"Unknown".- layer
str|None(default:None) Layer in the h5ad files to use as the count matrix.
Noneusesadata.X(falling back toadata.raw.Xwhen a raw slot exists).- categorical_covariate_keys
list[str] |None(default:None) Additional categorical covariate columns in
obs.- continuous_covariate_keys
list[str] |None(default:None) Additional continuous covariate columns in
obs.- rebuild
bool(default:True) If
True, always rebuild the zarr collection even if it already exists on disk. IfFalse(default), reuse an existing collection and skip the (potentially expensive)add_adatasstep.- batch_size
int(default:4096) Number of cells per batch yielded by the
Loader.- chunk_size
int(default:256) Number of cells loaded from disk contiguously per read.
- preload_nchunks
int(default:32) Number of chunks to preload and shuffle in memory.
- preload_to_gpu
bool(default:True) Whether the loader should move data to GPU before yielding.
- dataset_size
int|str(default:'20GB') Number of observations to load into memory for shuffling / pre-processing when building the collection, or annbatch’s human-readable size strings, e.g.
"20GB".- shuffle
bool(default:False) Whether to pre-shuffle cells when building the collection.
- var_subset
list[str] |None(default:None) Optional list of gene names to restrict the collection to (passed as
var_subsettoadd_adatas).- merge
Literal['same','unique','first','only'] |None(default:None) How annbatch should merge
varmetadata across inputs. Passed through toannbatch.DatasetCollection.add_adatas().
- collection_path
- Returns:
AnnbatchDataModuleA configured datamodule whoseregistrycan be passed directly to the model constructor, e.g.model = SCVI(registry=dm.registry).
Notes
After training, saving and reloading the model requires reconstructing the datamodule manually and passing it to
load()via thedatamoduleargument — the same pattern used by all custom datamodules.
- classmethod SCANVI.setup_anndata(adata, labels_key, unlabeled_category, layer=None, batch_key=None, size_factor_key=None, categorical_covariate_keys=None, continuous_covariate_keys=None, use_minified=True, **kwargs)[source]#
Sets up the
AnnDataobject for this model.A mapping will be created between data fields used by this model to their respective locations in adata. None of the data in adata are modified. Only adds fields to adata.
- Parameters:
- adata
AnnData AnnData object. Rows represent cells, columns represent features.
- labels_key
str key in
adata.obsfor label information. Categories will automatically be converted into integer categories and saved toadata.obs['_scvi_labels']. IfNone, assigns the same label to all the data.- unlabeled_category
str value in
adata.obs[labels_key]that indicates unlabeled observations.- layer
str|None(default:None) if not
None, uses this as the key inadata.layersfor raw count data.- batch_key
str|None(default:None) key in
adata.obsfor batch information. Categories will automatically be converted into integer categories and saved toadata.obs['_scvi_batch']. IfNone, assigns the same batch to all the data.- size_factor_key
str|None(default:None) key in
adata.obsfor size factor information. Instead of using library size as a size factor, the provided size factor column will be used as offset in the mean of the likelihood. Assumed to be on linear scale.- categorical_covariate_keys
list[str] |None(default:None) keys in
adata.obsthat correspond to categorical data. These covariates can be added in addition to the batch covariate and are also treated as nuisance factors (i.e., the model tries to minimize their effects on the latent space). Thus, these should not be used for biologically-relevant factors that you do _not_ want to correct for.- continuous_covariate_keys
list[str] |None(default:None) keys in
adata.obsthat correspond to continuous data. These covariates can be added in addition to the batch covariate and are also treated as nuisance factors (i.e., the model tries to minimize their effects on the latent space). Thus, these should not be used for biologically-relevant factors that you do _not_ want to correct for.- use_minified
bool(default:True) If True, will register the minified version of the adata if possible.
- adata
- SCANVI.shap_predict(adata=None, indices=None, shap_args=None)[source]#
Run SHAP interpreter for a trained model and gives back shap values
- SCANVI.to_device(device)[source]#
Move the model to the device.
- Parameters:
Examples
>>> adata = scvi.data.synthetic_iid() >>> model = scvi.model.SCVI(adata) >>> model.to_device("cpu") # moves model to CPU >>> model.to_device("cuda:0") # moves model to GPU 0 >>> model.to_device(0) # also moves model to GPU 0
- SCANVI.train(max_epochs=None, n_samples_per_label=None, check_val_every_n_epoch=None, train_size=0.9, validation_size=None, shuffle_set_split=True, batch_size=128, accelerator='auto', devices='auto', adversarial_classifier=None, datasplitter_kwargs=None, plan_config=None, plan_kwargs=None, datamodule=None, trainer_config=None, **trainer_kwargs)[source]#
Train the model.
- Parameters:
- max_epochs
int|None(default:None) Number of passes through the dataset for semisupervised training.
- n_samples_per_label
float|None(default:None) Number of subsamples for each label class to sample per epoch. By default, there is no label subsampling.
- check_val_every_n_epoch
int|None(default:None) Frequency with which metrics are computed on the data for the validation set for both the unsupervised and semisupervised trainers. If you’d like a different frequency for the semisupervised trainer, set check_val_every_n_epoch in semisupervised_train_kwargs.
- train_size
float(default:0.9) Size of the training set in the range [0.0, 1.0].
- validation_size
float|None(default:None) Size of the test set. If
None, defaults to 1 -train_size. Iftrain_size + validation_size < 1, the remaining cells belong to a test set.- shuffle_set_split
bool(default:True) Whether to shuffle indices before splitting. If
False, the val, train, and test set are split in the sequential order of the data according tovalidation_sizeandtrain_sizepercentages.- batch_size
int(default:128) Minibatch size to use during training.
- accelerator
str(default:'auto') Supports passing different accelerator types
("cpu", "gpu", "tpu", "ipu", "hpu", "mps, "auto")as well as custom accelerator instances.- devices
int|list[int] |str(default:'auto') The devices to use. Can be set to a non-negative index (
intorstr), a sequence of device indices (listor comma-separatedstr), the value-1to indicate all available devices, or"auto"for automatic selection based on the chosenaccelerator. If set to"auto"andacceleratoris not determined to be"cpu", thendeviceswill be set to the first available device.- adversarial_classifier
bool|None(default:None) Whether to use adversarial classifier in the latent space. This helps mixing when there are missing proteins in any of the batches. Defaults to
Trueis missing proteins are detected.- datasplitter_kwargs
dict|None(default:None) Additional keyword arguments passed into
SemiSupervisedDataSplitter.- plan_kwargs
Mapping[str,Any] |KwargsConfig|None(default:None) Keyword args for
SemiSupervisedTrainingPlan. Keyword arguments passed totrain()will overwrite values present inplan_kwargs, when appropriate.- plan_config
Mapping[str,Any] |KwargsConfig|None(default:None) Configuration object or mapping used to build
SemiSupervisedTrainingPlan. Values inplan_kwargsand explicit arguments take precedence.- datamodule
LightningDataModule|None(default:None) EXPERIMENTALALightningDataModuleinstance to use for training in place of the defaultDataSplitter. Can only be passed in if the model was not initialized withAnnData.- trainer_config
Mapping[str,Any] |KwargsConfig|None(default:None) Configuration object or mapping used to build
Trainer. Values intrainer_kwargsand explicit arguments take precedence.- **trainer_kwargs
Other keyword args for
Trainer.
- max_epochs
- SCANVI.transfer_fields(adata, **kwargs)[source]#
Transfer fields from a model to an AnnData object.
- Return type:
- SCANVI.update_setup_method_args(setup_method_args)[source]#
Update setup method args.
- Parameters:
- setup_method_args
dict This is a bit of a misnomer, this is a dict representing kwargs of the setup method that will be used to update the existing values in the registry of this instance.
- setup_method_args
- SCANVI.view_anndata_setup(adata=None, hide_state_registries=False)[source]#
Print summary of the setup for the initial AnnData or a given AnnData object.