from typing import Optional import torch import scipy.spatial @torch.jit.script def sample(col: torch.Tensor, count: int) -> torch.Tensor: if col.size(0) > count: col = col[torch.randperm(col.size(0), dtype=torch.long)][:count] return col def radius(x: torch.Tensor, y: torch.Tensor, r: float, batch_x: Optional[torch.Tensor] = None, batch_y: Optional[torch.Tensor] = None, max_num_neighbors: int = 32) -> torch.Tensor: r"""Finds for each element in :obj:`y` all points in :obj:`x` within distance :obj:`r`. Args: x (Tensor): Node feature matrix :math:`\mathbf{X} \in \mathbb{R}^{N \times F}`. y (Tensor): Node feature matrix :math:`\mathbf{Y} \in \mathbb{R}^{M \times F}`. r (float): The radius. batch_x (LongTensor, optional): Batch vector :math:`\mathbf{b} \in {\{ 0, \ldots, B-1\}}^N`, which assigns each node to a specific example. (default: :obj:`None`) batch_y (LongTensor, optional): Batch vector :math:`\mathbf{b} \in {\{ 0, \ldots, B-1\}}^M`, which assigns each node to a specific example. (default: :obj:`None`) max_num_neighbors (int, optional): The maximum number of neighbors to return for each element in :obj:`y`. (default: :obj:`32`) .. code-block:: python import torch from torch_cluster import radius x = torch.Tensor([[-1, -1], [-1, 1], [1, -1], [1, 1]]) batch_x = torch.tensor([0, 0, 0, 0]) y = torch.Tensor([[-1, 0], [1, 0]]) batch_y = torch.tensor([0, 0]) assign_index = radius(x, y, 1.5, batch_x, batch_y) """ x = x.view(-1, 1) if x.dim() == 1 else x y = y.view(-1, 1) if y.dim() == 1 else y if x.is_cuda: if batch_x is not None: assert x.size(0) == batch_x.numel() batch_size = int(batch_x.max()) + 1 deg = x.new_zeros(batch_size, dtype=torch.long) deg.scatter_add_(0, batch_x, torch.ones_like(batch_x)) ptr_x = deg.new_zeros(batch_size + 1) torch.cumsum(deg, 0, out=ptr_x[1:]) else: ptr_x = torch.tensor([0, x.size(0)], device=x.device) if batch_y is not None: assert y.size(0) == batch_y.numel() batch_size = int(batch_y.max()) + 1 deg = y.new_zeros(batch_size, dtype=torch.long) deg.scatter_add_(0, batch_y, torch.ones_like(batch_y)) ptr_y = deg.new_zeros(batch_size + 1) torch.cumsum(deg, 0, out=ptr_y[1:]) else: ptr_y = torch.tensor([0, y.size(0)], device=y.device) return torch.ops.torch_cluster.radius(x, y, ptr_x, ptr_y, r, max_num_neighbors) else: if batch_x is None: batch_x = x.new_zeros(x.size(0), dtype=torch.long) if batch_y is None: batch_y = y.new_zeros(y.size(0), dtype=torch.long) assert x.dim() == 2 and batch_x.dim() == 1 assert y.dim() == 2 and batch_y.dim() == 1 assert x.size(1) == y.size(1) assert x.size(0) == batch_x.size(0) assert y.size(0) == batch_y.size(0) x = torch.cat([x, 2 * r * batch_x.view(-1, 1).to(x.dtype)], dim=-1) y = torch.cat([y, 2 * r * batch_y.view(-1, 1).to(y.dtype)], dim=-1) return torch.ops.torch_cluster.radius(x, y, x, y, r, max_num_neighbors) """ tree = scipy.spatial.cKDTree(x.detach().numpy()) col = tree.query_ball_point(y.detach().numpy(), r) col = [torch.tensor(c, dtype=torch.long) for c in col] col = [sample(c, max_num_neighbors) for c in col] row = [torch.full_like(c, i) for i, c in enumerate(col)] row, col = torch.cat(row, dim=0), torch.cat(col, dim=0) mask = col < int(tree.n) return torch.stack([row[mask], col[mask]], dim=0) """ def radius_graph(x: torch.Tensor, r: float, batch: Optional[torch.Tensor] = None, loop: bool = False, max_num_neighbors: int = 32, flow: str = 'source_to_target') -> torch.Tensor: r"""Computes graph edges to all points within a given distance. Args: x (Tensor): Node feature matrix :math:`\mathbf{X} \in \mathbb{R}^{N \times F}`. r (float): The radius. batch (LongTensor, optional): Batch vector :math:`\mathbf{b} \in {\{ 0, \ldots, B-1\}}^N`, which assigns each node to a specific example. (default: :obj:`None`) loop (bool, optional): If :obj:`True`, the graph will contain self-loops. (default: :obj:`False`) max_num_neighbors (int, optional): The maximum number of neighbors to return for each element in :obj:`y`. (default: :obj:`32`) flow (string, optional): The flow direction when using in combination with message passing (:obj:`"source_to_target"` or :obj:`"target_to_source"`). (default: :obj:`"source_to_target"`) :rtype: :class:`LongTensor` .. code-block:: python import torch from torch_cluster import radius_graph x = torch.Tensor([[-1, -1], [-1, 1], [1, -1], [1, 1]]) batch = torch.tensor([0, 0, 0, 0]) edge_index = radius_graph(x, r=1.5, batch=batch, loop=False) """ assert flow in ['source_to_target', 'target_to_source'] row, col = radius(x, x, r, batch, batch, max_num_neighbors if loop else max_num_neighbors + 1) if x.is_cuda: row, col = (col, row) if flow == 'source_to_target' else (row, col) else: row, col = (col, row) if flow == 'target_to_source' else (row, col) if not loop: mask = row != col row, col = row[mask], col[mask] return torch.stack([row, col], dim=0)