minibatch-custom-sampler.rst

.. _guide-minibatch-customizing-neighborhood-sampler:

6.4 Implementing Custom Graph Samplers
----------------------------------------------

Implementing custom samplers involves subclassing the :class:`dgl.dataloading.Sampler`
base class and implementing its abstract :attr:`sample` method.  The :attr:`sample`
method should take in two arguments:

.. code:: python

   def sample(self, g, indices):
       pass

The first argument :attr:`g` is the original graph to sample from while
the second argument :attr:`indices` is the indices of the current mini-batch
-- it generally could be anything depending on what indices are given to the
accompanied :class:`~dgl.dataloading.DataLoader` but are typically seed node
or seed edge IDs. The function returns the mini-batch of samples for
the current iteration.

.. note::

    The design here is similar to PyTorch's ``torch.utils.data.DataLoader``,
    which is an iterator of dataset. Users can customize how to batch samples
    using its ``collate_fn`` argument. Here in DGL, ``dgl.dataloading.DataLoader``
    is an iterator of ``indices`` (e.g., training node IDs) while ``Sampler``
    converts a batch of indices into a batch of graph- or tensor-type samples.


The code below implements a classical neighbor sampler:

.. code:: python

   class NeighborSampler(dgl.dataloading.Sampler):
       def __init__(self, fanouts : list[int]):
           super().__init__()
           self.fanouts = fanouts

       def sample(self, g, seed_nodes):
           output_nodes = seed_nodes
           subgs = []
           for fanout in reversed(self.fanouts):
               # Sample a fixed number of neighbors of the current seed nodes.
               sg = g.sample_neighbors(seed_nodes, fanout)
               # Convert this subgraph to a message flow graph.
               sg = dgl.to_block(sg, seed_nodes)
               seed_nodes = sg.srcdata[NID]
               subgs.insert(0, sg)
            input_nodes = seed_nodes
            return input_nodes, output_nodes, subgs

To use this sampler with ``DataLoader``:

.. code:: python

    graph = ...  # the graph to be sampled from
    train_nids = ...  # an 1-D tensor of training node IDs
    sampler = NeighborSampler([10, 15])  # create a sampler
    dataloader = dgl.dataloading.DataLoader(
        graph,
        train_nids,
        sampler,
        batch_size=32,    # batch_size decides how many IDs are passed to sampler at once
        ...               # other arguments
    )
    for i, mini_batch in enumerate(dataloader):
        # unpack the mini batch
        input_nodes, output_nodes, subgs = mini_batch
        train(input_nodes, output_nodes, subgs)

Sampler for Heterogeneous Graphs
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

To write a sampler for heterogeneous graphs, one needs to be aware that
the argument ``g`` will be a heterogeneous graph while ``indices`` could be a
dictionary of ID tensors. Most of DGL's graph sampling operators (e.g.,
the ``sample_neighbors`` and ``to_block`` functions in the above example) can
work on heterogeneous graph natively, so many samplers are automatically
ready for heterogeneous graph. For example, the above ``NeighborSampler``
can be used on heterogeneous graphs:

.. code:: python

    hg = dgl.heterograph({
        ('user', 'like', 'movie') : ...,
        ('user', 'follow', 'user') : ...,
        ('movie', 'liked-by', 'user') : ...,
    })
    train_nids = {'user' : ..., 'movie' : ...}  # training IDs of 'user' and 'movie' nodes
    sampler = NeighborSampler([10, 15])  # create a sampler
    dataloader = dgl.dataloading.DataLoader(
        hg,
        train_nids,
        sampler,
        batch_size=32,    # batch_size decides how many IDs are passed to sampler at once
        ...               # other arguments
    )
    for i, mini_batch in enumerate(dataloader):
        # unpack the mini batch
        # input_nodes and output_nodes are dictionary while subgs are a list of
        # heterogeneous graphs
        input_nodes, output_nodes, subgs = mini_batch
        train(input_nodes, output_nodes, subgs)

Exclude Edges During Sampling
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

The examples above all belong to *node-wise sampler* because the ``indices`` argument
to the ``sample`` method represents a batch of seed node IDs. Another common type of
samplers is *edge-wise sampler* which, as name suggested, takes in a batch of seed
edge IDs to construct mini-batch data. DGL provides a utility
:func:`dgl.dataloading.as_edge_prediction_sampler` to turn a node-wise sampler to
an edge-wise sampler. To prevent information leakge, it requires the node-wise sampler
to have an additional third argument ``exclude_eids``. The code below modifies
the ``NeighborSampler`` we just defined to properly exclude edges from the sampled
subgraph:

.. code:: python

   class NeighborSampler(Sampler):
       def __init__(self, fanouts):
           super().__init__()
           self.fanouts = fanouts

       # NOTE: There is an additional third argument. For homogeneous graphs,
       #   it is an 1-D tensor of integer IDs. For heterogeneous graphs, it
       #   is a dictionary of ID tensors. We usually set its default value to be None.
       def sample(self, g, seed_nodes, exclude_eids=None):
           output_nodes = seed_nodes
           subgs = []
           for fanout in reversed(self.fanouts):
               # Sample a fixed number of neighbors of the current seed nodes.
               sg = g.sample_neighbors(seed_nodes, fanout, exclude_edges=exclude_eids)
               # Convert this subgraph to a message flow graph.
               sg = dgl.to_block(sg, seed_nodes)
               seed_nodes = sg.srcdata[NID]
               subgs.insert(0, sg)
            input_nodes = seed_nodes
            return input_nodes, output_nodes, subgs

Further Readings
~~~~~~~~~~~~~~~~~~
See :ref:`guide-minibatch-prefetching` for how to write a custom graph sampler
with feature prefetching.