MuData quickstart#

Introducing multimodal data — MuData — objects built on top of AnnData, mudata library naturally enriches the Python ecosystem for data analysis to enable multimodal data analysis. Be sure to check tools that take advantage of this data format such as muon — the Python framework for multimodal omics analysis.

This notebooks provides an introduction to multimodal data objects.

[1]:

%pip install mudata

[3]:

import mudata as md
from mudata import MuData

Multimodal objects#

To see how multimodal objects behave, we will simulate some data first:

[4]:

import numpy as np
np.random.seed(1)

n, d, k = 1000, 100, 10

z = np.random.normal(loc=np.arange(k), scale=np.arange(k)*2, size=(n,k))
w = np.random.normal(size=(d,k))
y = np.dot(z, w.T)
y.shape

[4]:

(1000, 100)

Creating an AnnData object from the matrix will allow us to add annotations to its different dimensions (“observations”, e.g. samples, and measured “variables”):

[5]:

from anndata import AnnData

adata = AnnData(y)
adata.obs_names = [f"obs_{i+1}" for i in range(n)]
adata.var_names = [f"var_{j+1}" for j in range(d)]
adata

[5]:

AnnData object with n_obs × n_vars = 1000 × 100

We will go ahead and create a second object with data for the same observations but for different variables:

[6]:

d2 = 50
w2 = np.random.normal(size=(d2,k))
y2 = np.dot(z, w2.T)

adata2 = AnnData(y2)
adata2.obs_names = [f"obs_{i+1}" for i in range(n)]
adata2.var_names = [f"var2_{j+1}" for j in range(d2)]
adata2

[6]:

AnnData object with n_obs × n_vars = 1000 × 50

We can now wrap these two objects into a MuData object:

[7]:

mdata = MuData({"A": adata, "B": adata2})
mdata

[7]:

MuData object with n_obs × n_vars = 1000 × 150
  2 modalities
    A:      1000 x 100
    B:      1000 x 50

Observations and variables of the MuData object are global, which means that observations with the identical name (.obs_names) in different modalities are considered to be the same observation. This also means variable names (.var_names) should be unique.

This is reflected in the object description above: mdata has 1000 observations and 150=100+50 variables.

Variable mappings#

Upon construction of a MuData object, a global binary mapping between observations and individual modalities is created as well as between variables and modalities.

Since all the observations are the same across modalities in mdata, all the values in the observations mappings are set to True:

[8]:

np.sum(mdata.obsm["A"]) == np.sum(mdata.obsm["B"]) == n

[8]:

True

For variables, those are 150-long vectors, e.g. for the A modality — with 100 True values followed by 50 False values:

[9]:

mdata.varm['A']

[9]:

array([ True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True,  True,  True,  True,  True,  True,  True,  True,  True,
        True, False, False, False, False, False, False, False, False,
       False, False, False, False, False, False, False, False, False,
       False, False, False, False, False, False, False, False, False,
       False, False, False, False, False, False, False, False, False,
       False, False, False, False, False, False, False, False, False,
       False, False, False, False, False, False])

Object references#

Importantly, individual modalities are stored as references to the original objects.

[10]:

# Add some unstructured data to the original object
adata.uns["misc"] = {"adata": True}

[11]:

# Access modality A via the .mod attribute
mdata.mod["A"].uns["misc"]

[11]:

{'adata': True}

This is also why the MuData object has to be updated in order to reflect the latest changes to the modalities it includes:

[12]:

adata2.var_names = ["var_ad2_" + e.split("_")[1] for e in adata2.var_names]

[13]:

print(f"Outdated variables names: ...,", ", ".join(mdata.var_names[-3:]))
mdata.update()
print(f"Updated variables names: ...,", ", ".join(mdata.var_names[-3:]))

Outdated variables names: ..., var2_48, var2_49, var2_50
Updated variables names: ..., var_ad2_48, var_ad2_49, var_ad2_50

Common observations#

While mdata is comprised of the same observations for both modalities, it is not always the case in the real world where some data might be missing. By design, mudata accounts for these scenarios since there’s no guarantee observations are the same — or even intersecting — for a MuData instance.

It’s worth noting that other tools might provide convenience functions for some common scenarios of dealing with missing data, such as intersect_obs() implemented in muon.

Rich representation#

Some notebook environments such as Jupyter/IPython allow for the rich object representation. This is what mudata uses in order to provide an optional HTML representation that allows to interactively explore MuData objects. While the dataset in our example is not the most comprehensive one, here is how it looks like:

[14]:

with md.set_options(display_style = "html", display_html_expand = 0b000):
    display(mdata)

MuData object 1000 obs × 150 var in 2 modalities

Metadata

.obs0 elements

No metadata

Embeddings & mappings

.obsm2 elements

A	bool	numpy.ndarray
B	bool	numpy.ndarray

Distances

.obsp0 elements

No distances

1000 × 100

AnnData object 1000 obs × 100 var

Matrix

float64 numpy.ndarray

Layers

.layers0 elements

No layers

Metadata

.obs0 elements

No metadata

Embeddings

.obsm0 elements

No embeddings

Distances

.obsp0 elements

No distances

Miscellaneous

.uns1 elements

misc

dict

1 element

adata: True

1000 × 50

AnnData object 1000 obs × 50 var

Matrix

float64 numpy.ndarray

Layers

.layers0 elements

No layers

Metadata

.obs0 elements

No metadata

Embeddings

.obsm0 elements

No embeddings

Distances

.obsp0 elements

No distances

Miscellaneous

.uns0 elements

No miscellaneous

Running md.set_options(display_style = "html") will change the setting for the current Python session.

The flag display_html_expand has three bits that correspond to

MuData attributes,
modalities,
AnnData attributes,

and indicates if the fields should be expanded by default (1) or collapsed under the <summary> tag (0).

.h5mu files#

MuData objects were designed to be serialized into .h5mu files. Modalities are stored under their respective names in the /mod HDF5 group of the .h5mu file. Each individual modality, e.g. /mod/A, is stored in the same way as it would be stored in the .h5ad file.

[15]:

import tempfile

# Create a temporary file
temp_file = tempfile.NamedTemporaryFile(mode="w", suffix=".h5mu", prefix="muon_getting_started_")

mdata.write(temp_file.name)
mdata_r = md.read(temp_file.name, backed=True)
mdata_r

[15]:

MuData object with n_obs × n_vars = 1000 × 150 backed at '/var/folders/6f/ht39xtd54tv4n5p35ccnpgf80000gn/T/muon_getting_started_63ro6syq.h5mu'
  2 modalities
    A:      1000 x 100
      uns:  'misc'
    B:      1000 x 50

Individual modalities are backed as well — inside the .h5mu file:

[16]:

mdata_r["A"].isbacked

[16]:

True

The rich representation would also reflect the backed state of MuData objects when they are loaded from .h5mu files in the read-only mode and would point to the respective file:

[17]:

with md.set_options(display_style = "html", display_html_expand = 0b000):
    display(mdata_r)

MuData object 1000 obs × 150 var in 2 modalities
↳ backed at /var/folders/6f/ht39xtd54tv4n5p35ccnpgf80000gn/T/muon_getting_started_63ro6syq.h5mu

Metadata

.obs0 elements

No metadata

Embeddings & mappings

.obsm2 elements

A	bool	numpy.ndarray
B	bool	numpy.ndarray

Distances

.obsp0 elements

No distances

1000 × 100

AnnData object 1000 obs × 100 var
↳ backed at /var/folders/6f/ht39xtd54tv4n5p35ccnpgf80000gn/T/muon_getting_started_63ro6syq.h5mu

Matrix

float64 h5py._hl.dataset.Dataset

Layers

.layers0 elements

No layers

Metadata

.obs0 elements

No metadata

Embeddings

.obsm0 elements

No embeddings

Distances

.obsp0 elements

No distances

Miscellaneous

.uns1 elements

misc

dict

1 element

adata: True

1000 × 50

AnnData object 1000 obs × 50 var
↳ backed at /var/folders/6f/ht39xtd54tv4n5p35ccnpgf80000gn/T/muon_getting_started_63ro6syq.h5mu

Matrix

float64 h5py._hl.dataset.Dataset

Layers

.layers0 elements

No layers

Metadata

.obs0 elements

No metadata

Embeddings

.obsm0 elements

No embeddings

Distances

.obsp0 elements

No distances

Miscellaneous

.uns0 elements

No miscellaneous

Multimodal methods#

When the MuData object is prepared, it is up to multimodal methods to be used to make sense of the data. The most simple and naïve approach is to concatenate matrices from multiple modalities to perform e.g. dimensionality reduction.

[18]:

x = np.hstack([mdata.mod["A"].X, mdata.mod["B"].X])
x.shape

[18]:

(1000, 150)

We can write a simple function to run principal component analysis on such a concatenated matrix. MuData object provides a place to store multimodal embeddings — MuData.obsm. It is similar to how the embeddings generated on invidual modalities are stored, only this time it is saved inside the MuData object rather than in AnnData.obsm.

[19]:

def simple_pca(mdata):
    from sklearn import decomposition

    x = np.hstack([m.X for m in mdata.mod.values()])

    pca = decomposition.PCA(n_components=2)
    components = pca.fit_transform(x)

    # By default, methods operate in-place
    # and embeddings are stored in the .obsm slot
    mdata.obsm["X_pca"] = components

    return

[20]:

simple_pca(mdata)
print(mdata)

MuData object with n_obs × n_vars = 1000 × 150
  obsm: 'X_pca'
  2 modalities
    A:  1000 x 100
      uns:      'misc'
    B:  1000 x 50

In reality, however, having different modalities often means that the features between them come from different generative processes and are not comparable.

This is where special multimodal integration methods come into play. For omics technologies, these methods are frequently addressed as multi-omics integration methods. MuData objects make it easy for the new methods to be easily applied to such data, and some of them are implemented in muon.

MuData quickstart

Contents

MuData quickstart#

Multimodal objects#

Variable mappings#

Object references#

Common observations#

Rich representation#

.h5mu files#

Multimodal methods#