wehub-resource-sync
229 lines
7.6 KiB
Python
229 lines
7.6 KiB
Python
"""Torch Module for Relational graph convolution layer using the aggregation
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primitives in cugraph-ops"""
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# pylint: disable=no-member, arguments-differ, invalid-name, too-many-arguments
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import math
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import torch
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from torch import nn
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from .cugraph_base import CuGraphBaseConv
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try:
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from pylibcugraphops.pytorch import HeteroCSC
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from pylibcugraphops.pytorch.operators import (
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agg_hg_basis_n2n_post as RelGraphConvAgg,
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)
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HAS_PYLIBCUGRAPHOPS = True
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except ImportError:
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HAS_PYLIBCUGRAPHOPS = False
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class CuGraphRelGraphConv(CuGraphBaseConv):
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r"""An accelerated relational graph convolution layer from `Modeling
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Relational Data with Graph Convolutional Networks
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<https://arxiv.org/abs/1703.06103>`__ that leverages the highly-optimized
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aggregation primitives in cugraph-ops.
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See :class:`dgl.nn.pytorch.conv.RelGraphConv` for mathematical model.
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This module depends on :code:`pylibcugraphops` package, which can be
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installed via :code:`conda install -c nvidia pylibcugraphops=23.04`.
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:code:`pylibcugraphops` 23.04 requires python 3.8.x or 3.10.x.
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.. note::
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This is an **experimental** feature.
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Parameters
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----------
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in_feat : int
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Input feature size.
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out_feat : int
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Output feature size.
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num_rels : int
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Number of relations.
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regularizer : str, optional
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Which weight regularizer to use ("basis" or ``None``):
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- "basis" is for basis-decomposition.
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- ``None`` applies no regularization.
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Default: ``None``.
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num_bases : int, optional
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Number of bases. It comes into effect when a regularizer is applied.
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Default: ``None``.
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bias : bool, optional
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True if bias is added. Default: ``True``.
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self_loop : bool, optional
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True to include self loop message. Default: ``True``.
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dropout : float, optional
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Dropout rate. Default: ``0.0``.
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apply_norm : bool, optional
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True to normalize aggregation output by the in-degree of the destination
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node per edge type, i.e. :math:`|\mathcal{N}^r_i|`. Default: ``True``.
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Examples
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--------
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>>> import dgl
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>>> import torch
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>>> from dgl.nn import CuGraphRelGraphConv
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...
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>>> device = 'cuda'
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>>> g = dgl.graph(([0,1,2,3,2,5], [1,2,3,4,0,3])).to(device)
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>>> feat = torch.ones(6, 10).to(device)
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>>> conv = CuGraphRelGraphConv(
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... 10, 2, 3, regularizer='basis', num_bases=2).to(device)
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>>> etype = torch.tensor([0,1,2,0,1,2]).to(device)
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>>> res = conv(g, feat, etype)
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>>> res
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tensor([[-1.7774, -2.0184],
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[-1.4335, -2.3758],
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[-1.7774, -2.0184],
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[-0.4698, -3.0876],
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[-1.4335, -2.3758],
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[-1.4331, -2.3295]], device='cuda:0', grad_fn=<AddBackward0>)
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"""
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MAX_IN_DEGREE_MFG = 500
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def __init__(
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self,
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in_feat,
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out_feat,
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num_rels,
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regularizer=None,
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num_bases=None,
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bias=True,
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self_loop=True,
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dropout=0.0,
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apply_norm=False,
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):
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if HAS_PYLIBCUGRAPHOPS is False:
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raise ModuleNotFoundError(
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f"{self.__class__.__name__} requires pylibcugraphops=23.04. "
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f"Install via `conda install -c nvidia 'pylibcugraphops=23.04'`."
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f"pylibcugraphops requires Python 3.8 or 3.10."
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)
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super().__init__()
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self.in_feat = in_feat
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self.out_feat = out_feat
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self.num_rels = num_rels
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self.apply_norm = apply_norm
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self.dropout = nn.Dropout(dropout)
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dim_self_loop = 1 if self_loop else 0
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self.self_loop = self_loop
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if regularizer is None:
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self.W = nn.Parameter(
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torch.Tensor(num_rels + dim_self_loop, in_feat, out_feat)
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)
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self.coeff = None
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elif regularizer == "basis":
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if num_bases is None:
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raise ValueError(
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'Missing "num_bases" for basis regularization.'
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)
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self.W = nn.Parameter(
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torch.Tensor(num_bases + dim_self_loop, in_feat, out_feat)
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)
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self.coeff = nn.Parameter(torch.Tensor(num_rels, num_bases))
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self.num_bases = num_bases
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else:
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raise ValueError(
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f"Supported regularizer options: 'basis' or None, but got "
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f"'{regularizer}'."
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)
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self.regularizer = regularizer
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if bias:
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self.bias = nn.Parameter(torch.Tensor(out_feat))
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else:
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self.register_parameter("bias", None)
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self.reset_parameters()
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def reset_parameters(self):
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r"""Reinitialize learnable parameters."""
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bound = 1 / math.sqrt(self.in_feat)
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end = -1 if self.self_loop else None
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nn.init.uniform_(self.W[:end], -bound, bound)
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if self.regularizer == "basis":
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nn.init.xavier_uniform_(
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self.coeff, gain=nn.init.calculate_gain("relu")
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)
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if self.self_loop:
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nn.init.xavier_uniform_(self.W[-1], nn.init.calculate_gain("relu"))
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if self.bias is not None:
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nn.init.zeros_(self.bias)
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def forward(self, g, feat, etypes, max_in_degree=None):
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r"""Forward computation.
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Parameters
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----------
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g : DGLGraph
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The graph.
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feat : torch.Tensor
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A 2D tensor of node features. Shape: :math:`(|V|, D_{in})`.
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etypes : torch.Tensor
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A 1D integer tensor of edge types. Shape: :math:`(|E|,)`.
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Note that cugraph-ops only accepts edge type tensors in int32,
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so any input of other integer types will be casted into int32,
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thus introducing some overhead. Pass in int32 tensors directly
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for best performance.
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max_in_degree : int, optional
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Maximum in-degree of destination nodes. It is only effective when
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:attr:`g` is a :class:`DGLBlock`, i.e., bipartite graph. When
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:attr:`g` is generated from a neighbor sampler, the value should be
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set to the corresponding :attr:`fanout`. If not given,
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:attr:`max_in_degree` will be calculated on-the-fly.
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Returns
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-------
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torch.Tensor
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New node features. Shape: :math:`(|V|, D_{out})`.
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"""
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offsets, indices, edge_ids = g.adj_tensors("csc")
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edge_types_perm = etypes[edge_ids.long()].int()
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if g.is_block:
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if max_in_degree is None:
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max_in_degree = g.in_degrees().max().item()
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if max_in_degree < self.MAX_IN_DEGREE_MFG:
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_graph = HeteroCSC(
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offsets,
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indices,
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edge_types_perm,
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g.num_src_nodes(),
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self.num_rels,
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)
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else:
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offsets_fg = self.pad_offsets(offsets, g.num_src_nodes() + 1)
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_graph = HeteroCSC(
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offsets_fg,
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indices,
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edge_types_perm,
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g.num_src_nodes(),
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self.num_rels,
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)
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else:
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_graph = HeteroCSC(
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offsets,
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indices,
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edge_types_perm,
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g.num_src_nodes(),
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self.num_rels,
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)
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h = RelGraphConvAgg(
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feat,
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self.coeff,
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_graph,
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concat_own=self.self_loop,
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norm_by_out_degree=self.apply_norm,
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)[: g.num_dst_nodes()]
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h = h @ self.W.view(-1, self.out_feat)
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if self.bias is not None:
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h = h + self.bias
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h = self.dropout(h)
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return h
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