fused_csc_sampling_graph.cc 87.8 KB
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/**
 *  Copyright (c) 2023 by Contributors
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 * @file fused_csc_sampling_graph.cc
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 * @brief Source file of sampling graph.
 */

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#include <graphbolt/cuda_sampling_ops.h>
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#include <graphbolt/fused_csc_sampling_graph.h>
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#include <graphbolt/serialize.h>
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#include <torch/torch.h>

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#include <algorithm>
#include <array>
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#include <cmath>
#include <limits>
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#include <numeric>
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#include <tuple>
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#include <type_traits>
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#include <vector>
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#include "./expand_indptr.h"
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#include "./macro.h"
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#include "./random.h"
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#include "./shared_memory_helper.h"
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#include "./utils.h"
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namespace {
torch::optional<torch::Dict<std::string, torch::Tensor>> TensorizeDict(
    const torch::optional<torch::Dict<std::string, int64_t>>& dict) {
  if (!dict.has_value()) {
    return torch::nullopt;
  }
  torch::Dict<std::string, torch::Tensor> result;
  for (const auto& pair : dict.value()) {
    result.insert(pair.key(), torch::tensor(pair.value(), torch::kInt64));
  }
  return result;
}

torch::optional<torch::Dict<std::string, int64_t>> DetensorizeDict(
    const torch::optional<torch::Dict<std::string, torch::Tensor>>& dict) {
  if (!dict.has_value()) {
    return torch::nullopt;
  }
  torch::Dict<std::string, int64_t> result;
  for (const auto& pair : dict.value()) {
    result.insert(pair.key(), pair.value().item<int64_t>());
  }
  return result;
}
}  // namespace

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namespace graphbolt {
namespace sampling {

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static const int kPickleVersion = 6199;

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FusedCSCSamplingGraph::FusedCSCSamplingGraph(
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    const torch::Tensor& indptr, const torch::Tensor& indices,
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    const torch::optional<torch::Tensor>& node_type_offset,
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    const torch::optional<torch::Tensor>& type_per_edge,
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    const torch::optional<NodeTypeToIDMap>& node_type_to_id,
    const torch::optional<EdgeTypeToIDMap>& edge_type_to_id,
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    const torch::optional<NodeAttrMap>& node_attributes,
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    const torch::optional<EdgeAttrMap>& edge_attributes)
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    : indptr_(indptr),
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      indices_(indices),
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      node_type_offset_(node_type_offset),
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      type_per_edge_(type_per_edge),
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      node_type_to_id_(node_type_to_id),
      edge_type_to_id_(edge_type_to_id),
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      node_attributes_(node_attributes),
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      edge_attributes_(edge_attributes) {
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  TORCH_CHECK(indptr.dim() == 1);
  TORCH_CHECK(indices.dim() == 1);
  TORCH_CHECK(indptr.device() == indices.device());
}

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c10::intrusive_ptr<FusedCSCSamplingGraph> FusedCSCSamplingGraph::Create(
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    const torch::Tensor& indptr, const torch::Tensor& indices,
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    const torch::optional<torch::Tensor>& node_type_offset,
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    const torch::optional<torch::Tensor>& type_per_edge,
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    const torch::optional<NodeTypeToIDMap>& node_type_to_id,
    const torch::optional<EdgeTypeToIDMap>& edge_type_to_id,
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    const torch::optional<NodeAttrMap>& node_attributes,
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    const torch::optional<EdgeAttrMap>& edge_attributes) {
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  if (node_type_offset.has_value()) {
    auto& offset = node_type_offset.value();
    TORCH_CHECK(offset.dim() == 1);
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    TORCH_CHECK(node_type_to_id.has_value());
    TORCH_CHECK(
        offset.size(0) ==
        static_cast<int64_t>(node_type_to_id.value().size() + 1));
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  }
  if (type_per_edge.has_value()) {
    TORCH_CHECK(type_per_edge.value().dim() == 1);
    TORCH_CHECK(type_per_edge.value().size(0) == indices.size(0));
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    TORCH_CHECK(edge_type_to_id.has_value());
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  }
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  if (node_attributes.has_value()) {
    for (const auto& pair : node_attributes.value()) {
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      TORCH_CHECK(
          pair.value().size(0) == indptr.size(0) - 1,
          "Expected node_attribute.size(0) and num_nodes to be equal, "
          "but node_attribute.size(0) was ",
          pair.value().size(0), ", and num_nodes was ", indptr.size(0) - 1,
          ".");
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    }
  }
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  if (edge_attributes.has_value()) {
    for (const auto& pair : edge_attributes.value()) {
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      TORCH_CHECK(
          pair.value().size(0) == indices.size(0),
          "Expected edge_attribute.size(0) and num_edges to be equal, "
          "but edge_attribute.size(0) was ",
          pair.value().size(0), ", and num_edges was ", indices.size(0), ".");
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    }
  }
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  return c10::make_intrusive<FusedCSCSamplingGraph>(
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      indptr, indices, node_type_offset, type_per_edge, node_type_to_id,
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      edge_type_to_id, node_attributes, edge_attributes);
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}

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void FusedCSCSamplingGraph::Load(torch::serialize::InputArchive& archive) {
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  const int64_t magic_num =
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      read_from_archive<int64_t>(archive, "FusedCSCSamplingGraph/magic_num");
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  TORCH_CHECK(
      magic_num == kCSCSamplingGraphSerializeMagic,
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      "Magic numbers mismatch when loading FusedCSCSamplingGraph.");
  indptr_ =
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      read_from_archive<torch::Tensor>(archive, "FusedCSCSamplingGraph/indptr");
  indices_ = read_from_archive<torch::Tensor>(
      archive, "FusedCSCSamplingGraph/indices");
  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_node_type_offset")) {
    node_type_offset_ = read_from_archive<torch::Tensor>(
        archive, "FusedCSCSamplingGraph/node_type_offset");
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  }
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  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_type_per_edge")) {
    type_per_edge_ = read_from_archive<torch::Tensor>(
        archive, "FusedCSCSamplingGraph/type_per_edge");
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  }
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  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_node_type_to_id")) {
    node_type_to_id_ = read_from_archive<NodeTypeToIDMap>(
        archive, "FusedCSCSamplingGraph/node_type_to_id");
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  }

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  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_edge_type_to_id")) {
    edge_type_to_id_ = read_from_archive<EdgeTypeToIDMap>(
        archive, "FusedCSCSamplingGraph/edge_type_to_id");
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  }

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  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_node_attributes")) {
    node_attributes_ = read_from_archive<NodeAttrMap>(
        archive, "FusedCSCSamplingGraph/node_attributes");
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  }
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  if (read_from_archive<bool>(
          archive, "FusedCSCSamplingGraph/has_edge_attributes")) {
    edge_attributes_ = read_from_archive<EdgeAttrMap>(
        archive, "FusedCSCSamplingGraph/edge_attributes");
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  }
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}

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void FusedCSCSamplingGraph::Save(
    torch::serialize::OutputArchive& archive) const {
  archive.write(
      "FusedCSCSamplingGraph/magic_num", kCSCSamplingGraphSerializeMagic);
  archive.write("FusedCSCSamplingGraph/indptr", indptr_);
  archive.write("FusedCSCSamplingGraph/indices", indices_);
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  archive.write(
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      "FusedCSCSamplingGraph/has_node_type_offset",
      node_type_offset_.has_value());
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  if (node_type_offset_) {
    archive.write(
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        "FusedCSCSamplingGraph/node_type_offset", node_type_offset_.value());
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  }
  archive.write(
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      "FusedCSCSamplingGraph/has_type_per_edge", type_per_edge_.has_value());
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  if (type_per_edge_) {
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    archive.write(
        "FusedCSCSamplingGraph/type_per_edge", type_per_edge_.value());
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  }
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  archive.write(
      "FusedCSCSamplingGraph/has_node_type_to_id",
      node_type_to_id_.has_value());
  if (node_type_to_id_) {
    archive.write(
        "FusedCSCSamplingGraph/node_type_to_id", node_type_to_id_.value());
  }
  archive.write(
      "FusedCSCSamplingGraph/has_edge_type_to_id",
      edge_type_to_id_.has_value());
  if (edge_type_to_id_) {
    archive.write(
        "FusedCSCSamplingGraph/edge_type_to_id", edge_type_to_id_.value());
  }
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  archive.write(
      "FusedCSCSamplingGraph/has_node_attributes",
      node_attributes_.has_value());
  if (node_attributes_) {
    archive.write(
        "FusedCSCSamplingGraph/node_attributes", node_attributes_.value());
  }
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  archive.write(
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      "FusedCSCSamplingGraph/has_edge_attributes",
      edge_attributes_.has_value());
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  if (edge_attributes_) {
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    archive.write(
        "FusedCSCSamplingGraph/edge_attributes", edge_attributes_.value());
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  }
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}

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void FusedCSCSamplingGraph::SetState(
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    const torch::Dict<std::string, torch::Dict<std::string, torch::Tensor>>&
        state) {
  // State is a dict of dicts. The tensor-type attributes are stored in the dict
  // with key "independent_tensors". The dict-type attributes (edge_attributes)
  // are stored directly with the their name as the key.
  const auto& independent_tensors = state.at("independent_tensors");
  TORCH_CHECK(
      independent_tensors.at("version_number")
          .equal(torch::tensor({kPickleVersion})),
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      "Version number mismatches when loading pickled FusedCSCSamplingGraph.")
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  indptr_ = independent_tensors.at("indptr");
  indices_ = independent_tensors.at("indices");
  if (independent_tensors.find("node_type_offset") !=
      independent_tensors.end()) {
    node_type_offset_ = independent_tensors.at("node_type_offset");
  }
  if (independent_tensors.find("type_per_edge") != independent_tensors.end()) {
    type_per_edge_ = independent_tensors.at("type_per_edge");
  }
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  if (state.find("node_type_to_id") != state.end()) {
    node_type_to_id_ = DetensorizeDict(state.at("node_type_to_id"));
  }
  if (state.find("edge_type_to_id") != state.end()) {
    edge_type_to_id_ = DetensorizeDict(state.at("edge_type_to_id"));
  }
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  if (state.find("node_attributes") != state.end()) {
    node_attributes_ = state.at("node_attributes");
  }
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  if (state.find("edge_attributes") != state.end()) {
    edge_attributes_ = state.at("edge_attributes");
  }
}

torch::Dict<std::string, torch::Dict<std::string, torch::Tensor>>
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FusedCSCSamplingGraph::GetState() const {
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  // State is a dict of dicts. The tensor-type attributes are stored in the dict
  // with key "independent_tensors". The dict-type attributes (edge_attributes)
  // are stored directly with the their name as the key.
  torch::Dict<std::string, torch::Dict<std::string, torch::Tensor>> state;
  torch::Dict<std::string, torch::Tensor> independent_tensors;
  // Serialization version number. It indicates the serialization method of the
  // whole state.
  independent_tensors.insert("version_number", torch::tensor({kPickleVersion}));
  independent_tensors.insert("indptr", indptr_);
  independent_tensors.insert("indices", indices_);
  if (node_type_offset_.has_value()) {
    independent_tensors.insert("node_type_offset", node_type_offset_.value());
  }
  if (type_per_edge_.has_value()) {
    independent_tensors.insert("type_per_edge", type_per_edge_.value());
  }
  state.insert("independent_tensors", independent_tensors);
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  if (node_type_to_id_.has_value()) {
    state.insert("node_type_to_id", TensorizeDict(node_type_to_id_).value());
  }
  if (edge_type_to_id_.has_value()) {
    state.insert("edge_type_to_id", TensorizeDict(edge_type_to_id_).value());
  }
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  if (node_attributes_.has_value()) {
    state.insert("node_attributes", node_attributes_.value());
  }
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  if (edge_attributes_.has_value()) {
    state.insert("edge_attributes", edge_attributes_.value());
  }
  return state;
}

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c10::intrusive_ptr<FusedSampledSubgraph> FusedCSCSamplingGraph::InSubgraph(
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    const torch::Tensor& nodes) const {
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  if (utils::is_on_gpu(nodes) && utils::is_accessible_from_gpu(indptr_) &&
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      utils::is_accessible_from_gpu(indices_) &&
      (!type_per_edge_.has_value() ||
       utils::is_accessible_from_gpu(type_per_edge_.value()))) {
    GRAPHBOLT_DISPATCH_CUDA_ONLY_DEVICE(c10::DeviceType::CUDA, "InSubgraph", {
      return ops::InSubgraph(indptr_, indices_, nodes, type_per_edge_);
    });
  }
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  using namespace torch::indexing;
  const int32_t kDefaultGrainSize = 100;
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  const auto num_seeds = nodes.size(0);
  torch::Tensor indptr = torch::zeros({num_seeds + 1}, indptr_.dtype());
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  std::vector<torch::Tensor> indices_arr(num_seeds);
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  torch::Tensor original_column_node_ids =
      torch::zeros({num_seeds}, indptr_.dtype());
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  std::vector<torch::Tensor> edge_ids_arr(num_seeds);
  std::vector<torch::Tensor> type_per_edge_arr(num_seeds);
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  AT_DISPATCH_INDEX_TYPES(
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      indptr_.scalar_type(), "InSubgraph", ([&] {
        torch::parallel_for(
            0, num_seeds, kDefaultGrainSize, [&](size_t start, size_t end) {
              for (size_t i = start; i < end; ++i) {
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                const auto node_id = nodes[i].item<index_t>();
                const auto start_idx = indptr_[node_id].item<index_t>();
                const auto end_idx = indptr_[node_id + 1].item<index_t>();
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                indptr[i + 1] = end_idx - start_idx;
                original_column_node_ids[i] = node_id;
                indices_arr[i] = indices_.slice(0, start_idx, end_idx);
                edge_ids_arr[i] = torch::arange(start_idx, end_idx);
                if (type_per_edge_) {
                  type_per_edge_arr[i] =
                      type_per_edge_.value().slice(0, start_idx, end_idx);
                }
              }
            });
      }));

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  return c10::make_intrusive<FusedSampledSubgraph>(
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      indptr.cumsum(0), torch::cat(indices_arr), original_column_node_ids,
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      torch::arange(0, NumNodes()), torch::cat(edge_ids_arr),
      type_per_edge_
          ? torch::optional<torch::Tensor>{torch::cat(type_per_edge_arr)}
          : torch::nullopt);
}

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/**
 * @brief Get a lambda function which counts the number of the neighbors to be
 * sampled.
 *
 * @param fanouts The number of edges to be sampled for each node with or
 * without considering edge types.
 * @param replace Boolean indicating whether the sample is performed with or
 * without replacement. If True, a value can be selected multiple times.
 * Otherwise, each value can be selected only once.
 * @param type_per_edge A tensor representing the type of each edge, if
 * present.
 * @param probs_or_mask Optional tensor containing the (unnormalized)
 * probabilities associated with each neighboring edge of a node in the original
 * graph. It must be a 1D floating-point tensor with the number of elements
 * equal to the number of edges in the graph.
 *
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 * @return A lambda function (int64_t seed_offset, int64_t offset, int64_t
 * num_neighbors) -> torch::Tensor, which takes seed offset (the offset of the
 * seed to sample), offset (the starting edge ID of the given node) and
 * num_neighbors (number of neighbors) as params and returns the pick number of
 * the given node.
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 */
auto GetNumPickFn(
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::optional<torch::Tensor>& type_per_edge,
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    const torch::optional<torch::Tensor>& probs_or_mask,
    bool with_seed_offsets) {
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  // If fanouts.size() > 1, returns the total number of all edge types of the
  // given node.
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  return [&fanouts, replace, &probs_or_mask, &type_per_edge, with_seed_offsets](
             int64_t offset, int64_t num_neighbors, auto num_picked_ptr,
             int64_t seed_index,
             const std::vector<int64_t>& etype_id_to_num_picked_offset) {
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    if (fanouts.size() > 1) {
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      NumPickByEtype(
          with_seed_offsets, fanouts, replace, type_per_edge.value(),
          probs_or_mask, offset, num_neighbors, num_picked_ptr, seed_index,
          etype_id_to_num_picked_offset);
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    } else {
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      NumPick(
          fanouts[0], replace, probs_or_mask, offset, num_neighbors,
          num_picked_ptr + seed_index);
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    }
  };
}

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auto GetTemporalNumPickFn(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices,
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::optional<torch::Tensor>& type_per_edge,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
    const torch::optional<torch::Tensor>& edge_timestamp) {
  // If fanouts.size() > 1, returns the total number of all edge types of the
  // given node.
  return [&seed_timestamp, &csc_indices, &fanouts, replace, &probs_or_mask,
          &type_per_edge, &node_timestamp, &edge_timestamp](
             int64_t seed_offset, int64_t offset, int64_t num_neighbors) {
    if (fanouts.size() > 1) {
      return TemporalNumPickByEtype(
          seed_timestamp, csc_indices, fanouts, replace, type_per_edge.value(),
          probs_or_mask, node_timestamp, edge_timestamp, seed_offset, offset,
          num_neighbors);
    } else {
      return TemporalNumPick(
          seed_timestamp, csc_indices, fanouts[0], replace, probs_or_mask,
          node_timestamp, edge_timestamp, seed_offset, offset, num_neighbors);
    }
  };
}

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/**
 * @brief Get a lambda function which contains the sampling process.
 *
 * @param fanouts The number of edges to be sampled for each node with or
 * without considering edge types.
 * @param replace Boolean indicating whether the sample is performed with or
 * without replacement. If True, a value can be selected multiple times.
 * Otherwise, each value can be selected only once.
 * @param options Tensor options specifying the desired data type of the result.
 * @param type_per_edge A tensor representing the type of each edge, if
 * present.
 * @param probs_or_mask Optional tensor containing the (unnormalized)
 * probabilities associated with each neighboring edge of a node in the original
 * graph. It must be a 1D floating-point tensor with the number of elements
 * equal to the number of edges in the graph.
 * @param args Contains sampling algorithm specific arguments.
 *
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 * @return A lambda function: (int64_t seed_offset, int64_t offset, int64_t
 * num_neighbors, PickedType* picked_data_ptr) -> torch::Tensor, which takes
 * seed_offset (the offset of the seed to sample), offset (the starting edge ID
 * of the given node) and num_neighbors (number of neighbors) as params and puts
 * the picked neighbors at the address specified by picked_data_ptr.
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 */
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template <SamplerType S>
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auto GetPickFn(
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::TensorOptions& options,
    const torch::optional<torch::Tensor>& type_per_edge,
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    const torch::optional<torch::Tensor>& probs_or_mask, bool with_seed_offsets,
    SamplerArgs<S> args) {
  return [&fanouts, replace, &options, &type_per_edge, &probs_or_mask, args,
          with_seed_offsets](
             int64_t offset, int64_t num_neighbors, auto picked_data_ptr,
             int64_t seed_offset, auto subgraph_indptr_ptr,
             const std::vector<int64_t>& etype_id_to_num_picked_offset) {
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    // If fanouts.size() > 1, perform sampling for each edge type of each
    // node; otherwise just sample once for each node with no regard of edge
    // types.
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    if (fanouts.size() > 1) {
      return PickByEtype(
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          with_seed_offsets, offset, num_neighbors, fanouts, replace, options,
          type_per_edge.value(), probs_or_mask, args, picked_data_ptr,
          seed_offset, subgraph_indptr_ptr, etype_id_to_num_picked_offset);
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    } else {
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      int64_t num_sampled = Pick(
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          offset, num_neighbors, fanouts[0], replace, options, probs_or_mask,
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          args, picked_data_ptr + subgraph_indptr_ptr[seed_offset]);
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      if (type_per_edge) {
        std::sort(picked_data_ptr, picked_data_ptr + num_sampled);
      }
      return num_sampled;
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    }
  };
}

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template <SamplerType S>
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auto GetTemporalPickFn(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices,
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::TensorOptions& options,
    const torch::optional<torch::Tensor>& type_per_edge,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
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    const torch::optional<torch::Tensor>& edge_timestamp, SamplerArgs<S> args) {
  return
      [&seed_timestamp, &csc_indices, &fanouts, replace, &options,
       &type_per_edge, &probs_or_mask, &node_timestamp, &edge_timestamp, args](
          int64_t seed_offset, int64_t offset, int64_t num_neighbors,
          auto picked_data_ptr) {
        // If fanouts.size() > 1, perform sampling for each edge type of each
        // node; otherwise just sample once for each node with no regard of edge
        // types.
        if (fanouts.size() > 1) {
          return TemporalPickByEtype(
              seed_timestamp, csc_indices, seed_offset, offset, num_neighbors,
              fanouts, replace, options, type_per_edge.value(), probs_or_mask,
              node_timestamp, edge_timestamp, args, picked_data_ptr);
        } else {
          int64_t num_sampled = TemporalPick(
              seed_timestamp, csc_indices, seed_offset, offset, num_neighbors,
              fanouts[0], replace, options, probs_or_mask, node_timestamp,
              edge_timestamp, args, picked_data_ptr);
          if (type_per_edge.has_value()) {
            std::sort(picked_data_ptr, picked_data_ptr + num_sampled);
          }
          return num_sampled;
        }
      };
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}

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template <typename NumPickFn, typename PickFn>
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c10::intrusive_ptr<FusedSampledSubgraph>
FusedCSCSamplingGraph::SampleNeighborsImpl(
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    const torch::Tensor& seeds,
    torch::optional<std::vector<int64_t>>& seed_offsets,
    const std::vector<int64_t>& fanouts, bool return_eids,
    NumPickFn num_pick_fn, PickFn pick_fn) const {
  const int64_t num_seeds = seeds.size(0);
  const auto indptr_options = indptr_.options();

  // Calculate GrainSize for parallel_for.
  // Set the default grain size to 64.
  const int64_t grain_size = 64;
  torch::Tensor picked_eids;
  torch::Tensor subgraph_indptr;
  torch::Tensor subgraph_indices;
  torch::optional<torch::Tensor> subgraph_type_per_edge = torch::nullopt;
  torch::optional<torch::Tensor> edge_offsets = torch::nullopt;

  bool with_seed_offsets = seed_offsets.has_value();
  bool hetero_with_seed_offsets = with_seed_offsets && fanouts.size() > 1;

  // Get the number of edge types. If it's homo or if the size of fanouts is 1
  // (hetero graph but sampled as a homo graph), set num_etypes as 1.
  // In temporal sampling, this will not be used for now since the logic hasn't
  // been adopted for temporal sampling.
  const int64_t num_etypes =
      (edge_type_to_id_.has_value() && hetero_with_seed_offsets)
          ? edge_type_to_id_->size()
          : 1;
  std::vector<int64_t> etype_id_to_src_ntype_id(num_etypes);
  std::vector<int64_t> etype_id_to_dst_ntype_id(num_etypes);
  torch::optional<torch::Tensor> subgraph_indptr_substract = torch::nullopt;
  // The pick numbers are stored in a single tensor by the order of etype. Each
  // etype corresponds to a group of seeds whose ntype are the same as the
  // dst_type. `etype_id_to_num_picked_offset` indicates the beginning offset
  // where each etype's corresponding seeds' pick numbers are stored in the pick
  // number tensor.
  std::vector<int64_t> etype_id_to_num_picked_offset(num_etypes + 1);
  if (hetero_with_seed_offsets) {
    for (auto& etype_and_id : edge_type_to_id_.value()) {
      auto etype = etype_and_id.key();
      auto id = etype_and_id.value();
      auto [src_type, dst_type] = utils::parse_src_dst_ntype_from_etype(etype);
      auto dst_ntype_id = node_type_to_id_->at(dst_type);
      etype_id_to_src_ntype_id[id] = node_type_to_id_->at(src_type);
      etype_id_to_dst_ntype_id[id] = dst_ntype_id;
      etype_id_to_num_picked_offset[id + 1] =
          seed_offsets->at(dst_ntype_id + 1) - seed_offsets->at(dst_ntype_id) +
          1;
    }
    std::partial_sum(
        etype_id_to_num_picked_offset.begin(),
        etype_id_to_num_picked_offset.end(),
        etype_id_to_num_picked_offset.begin());
  } else {
    etype_id_to_dst_ntype_id[0] = 0;
    etype_id_to_num_picked_offset[1] = num_seeds + 1;
  }
  // `num_rows` indicates the length of `num_picked_neighbors_per_node`, which
  // is used for storing pick numbers. In non-temporal hetero sampling, it
  // equals to sum_{etype} #seeds with ntype=dst_type(etype). In homo sampling,
  // it equals to `num_seeds`.
  const int64_t num_rows = etype_id_to_num_picked_offset[num_etypes];
  torch::Tensor num_picked_neighbors_per_node =
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      // Need to use zeros because all nodes don't have all etypes.
      torch::zeros({num_rows}, indptr_options);
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  AT_DISPATCH_INDEX_TYPES(
      indptr_.scalar_type(), "SampleNeighborsImplWrappedWithIndptr", ([&] {
        using indptr_t = index_t;
        AT_DISPATCH_INDEX_TYPES(
            seeds.scalar_type(), "SampleNeighborsImplWrappedWithSeeds", ([&] {
              using seeds_t = index_t;
              const auto indptr_data = indptr_.data_ptr<indptr_t>();
              const auto num_picked_neighbors_data_ptr =
                  num_picked_neighbors_per_node.data_ptr<indptr_t>();
              num_picked_neighbors_data_ptr[0] = 0;
              const auto seeds_data_ptr = seeds.data_ptr<seeds_t>();

              // Step 1. Calculate pick number of each node.
              torch::parallel_for(
                  0, num_seeds, grain_size, [&](int64_t begin, int64_t end) {
                    for (int64_t i = begin; i < end; ++i) {
                      const auto nid = seeds_data_ptr[i];
                      TORCH_CHECK(
                          nid >= 0 && nid < NumNodes(),
                          "The seed nodes' IDs should fall within the range of "
                          "the graph's node IDs.");
                      const auto offset = indptr_data[nid];
                      const auto num_neighbors = indptr_data[nid + 1] - offset;

                      const auto seed_type_id =
                          (hetero_with_seed_offsets)
                              ? std::upper_bound(
                                    seed_offsets->begin(), seed_offsets->end(),
                                    i) -
                                    seed_offsets->begin() - 1
                              : 0;
                      // `seed_index` indicates the index of the current
                      // seed within the group of seeds which have the same
                      // node type.
                      const auto seed_index =
                          (hetero_with_seed_offsets)
                              ? i - seed_offsets->at(seed_type_id)
                              : i;
                      num_pick_fn(
                          offset, num_neighbors,
                          num_picked_neighbors_data_ptr + 1, seed_index,
                          etype_id_to_num_picked_offset);
                    }
                  });

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              // Step 2. Calculate prefix sum to get total length and offsets of
              // each node. It's also the indptr of the generated subgraph.
              subgraph_indptr = num_picked_neighbors_per_node.cumsum(
                  0, indptr_.scalar_type());
              auto subgraph_indptr_data_ptr =
                  subgraph_indptr.data_ptr<indptr_t>();

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              if (hetero_with_seed_offsets) {
                torch::Tensor num_picked_offset_tensor =
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                    torch::empty({num_etypes + 1}, indptr_options);
                const auto num_picked_offset_data_ptr =
                    num_picked_offset_tensor.data_ptr<indptr_t>();
                std::copy(
                    etype_id_to_num_picked_offset.begin(),
                    etype_id_to_num_picked_offset.end(),
                    num_picked_offset_data_ptr);
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                torch::Tensor substract_offset =
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                    torch::empty({num_etypes}, indptr_options);
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                const auto substract_offset_data_ptr =
                    substract_offset.data_ptr<indptr_t>();
                for (auto i = 0; i < num_etypes; ++i) {
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                  // Collect the total pick number subtract offsets.
                  substract_offset_data_ptr[i] = subgraph_indptr_data_ptr
                      [etype_id_to_num_picked_offset[i]];
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                }
                subgraph_indptr_substract = ops::ExpandIndptr(
                    num_picked_offset_tensor, indptr_.scalar_type(),
                    substract_offset);
              }

              // When doing non-temporal hetero sampling, we generate an
              // edge_offsets tensor.
              if (hetero_with_seed_offsets) {
                edge_offsets = torch::empty({num_etypes + 1}, indptr_options);
                AT_DISPATCH_INTEGRAL_TYPES(
                    edge_offsets.value().scalar_type(), "CalculateEdgeOffsets",
                    ([&] {
                      auto edge_offsets_data_ptr =
                          edge_offsets.value().data_ptr<scalar_t>();
                      edge_offsets_data_ptr[0] = 0;
                      for (auto i = 0; i < num_etypes; ++i) {
                        edge_offsets_data_ptr[i + 1] = subgraph_indptr_data_ptr
                            [etype_id_to_num_picked_offset[i + 1] - 1];
                      }
                    }));
              }

              // Step 3. Allocate the tensor for picked neighbors.
              const auto total_length =
                  subgraph_indptr.data_ptr<indptr_t>()[num_rows - 1];
              picked_eids = torch::empty({total_length}, indptr_options);
              subgraph_indices =
                  torch::empty({total_length}, indices_.options());
              if (!hetero_with_seed_offsets && type_per_edge_.has_value()) {
                subgraph_type_per_edge = torch::empty(
                    {total_length}, type_per_edge_.value().options());
              }

              auto picked_eids_data_ptr = picked_eids.data_ptr<indptr_t>();
              torch::parallel_for(
                  0, num_seeds, grain_size, [&](int64_t begin, int64_t end) {
                    for (int64_t i = begin; i < end; ++i) {
                      const auto nid = seeds_data_ptr[i];
                      const auto offset = indptr_data[nid];
                      const auto num_neighbors = indptr_data[nid + 1] - offset;
                      auto picked_number = 0;
                      const auto seed_type_id =
                          (hetero_with_seed_offsets)
                              ? std::upper_bound(
                                    seed_offsets->begin(), seed_offsets->end(),
                                    i) -
                                    seed_offsets->begin() - 1
                              : 0;
                      const auto seed_index =
                          (hetero_with_seed_offsets)
                              ? i - seed_offsets->at(seed_type_id)
                              : i;

                      // Step 4. Pick neighbors for each node.
                      picked_number = pick_fn(
                          offset, num_neighbors, picked_eids_data_ptr,
                          seed_index, subgraph_indptr_data_ptr,
                          etype_id_to_num_picked_offset);
                      if (!hetero_with_seed_offsets) {
                        TORCH_CHECK(
                            num_picked_neighbors_data_ptr[i + 1] ==
                                picked_number,
                            "Actual picked count doesn't match the calculated "
                            "pick number.");
                      }

                      // Step 5. Calculate other attributes and return the
                      // subgraph.
                      if (picked_number > 0) {
                        AT_DISPATCH_INDEX_TYPES(
                            subgraph_indices.scalar_type(),
                            "IndexSelectSubgraphIndices", ([&] {
                              auto subgraph_indices_data_ptr =
                                  subgraph_indices.data_ptr<index_t>();
                              auto indices_data_ptr =
                                  indices_.data_ptr<index_t>();
                              for (auto i = 0; i < num_etypes; ++i) {
                                if (etype_id_to_dst_ntype_id[i] != seed_type_id)
                                  continue;
                                const auto indptr_offset =
                                    with_seed_offsets
                                        ? etype_id_to_num_picked_offset[i] +
                                              seed_index
                                        : seed_index;
                                const auto picked_begin =
                                    subgraph_indptr_data_ptr[indptr_offset];
                                const auto picked_end =
                                    subgraph_indptr_data_ptr[indptr_offset + 1];
                                for (auto j = picked_begin; j < picked_end;
                                     ++j) {
                                  subgraph_indices_data_ptr[j] =
                                      indices_data_ptr[picked_eids_data_ptr[j]];
                                  if (hetero_with_seed_offsets &&
                                      node_type_offset_.has_value()) {
                                    // Substract the node type offset from
                                    // subgraph indices. Assuming
                                    // node_type_offset has the same dtype as
                                    // indices.
                                    auto node_type_offset_data =
                                        node_type_offset_.value()
                                            .data_ptr<index_t>();
                                    subgraph_indices_data_ptr[j] -=
                                        node_type_offset_data
                                            [etype_id_to_src_ntype_id[i]];
                                  }
                                }
                              }
                            }));

                        if (!hetero_with_seed_offsets &&
                            type_per_edge_.has_value()) {
                          // When hetero graph is sampled as a homo graph, we
                          // still generate type_per_edge tensor for this
                          // situation.
                          AT_DISPATCH_INTEGRAL_TYPES(
                              subgraph_type_per_edge.value().scalar_type(),
                              "IndexSelectTypePerEdge", ([&] {
                                auto subgraph_type_per_edge_data_ptr =
                                    subgraph_type_per_edge.value()
                                        .data_ptr<scalar_t>();
                                auto type_per_edge_data_ptr =
                                    type_per_edge_.value().data_ptr<scalar_t>();
                                const auto picked_offset =
                                    subgraph_indptr_data_ptr[seed_index];
                                for (auto j = picked_offset;
                                     j < picked_offset + picked_number; ++j)
                                  subgraph_type_per_edge_data_ptr[j] =
                                      type_per_edge_data_ptr
                                          [picked_eids_data_ptr[j]];
                              }));
                        }
                      }
                    }
                  });
            }));
      }));

  torch::optional<torch::Tensor> subgraph_reverse_edge_ids = torch::nullopt;
  if (return_eids) subgraph_reverse_edge_ids = std::move(picked_eids);

  if (subgraph_indptr_substract.has_value()) {
    subgraph_indptr -= subgraph_indptr_substract.value();
  }

  return c10::make_intrusive<FusedSampledSubgraph>(
      subgraph_indptr, subgraph_indices, seeds, torch::nullopt,
      subgraph_reverse_edge_ids, subgraph_type_per_edge, edge_offsets);
}

template <typename NumPickFn, typename PickFn>
c10::intrusive_ptr<FusedSampledSubgraph>
FusedCSCSamplingGraph::TemporalSampleNeighborsImpl(
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    const torch::Tensor& nodes, bool return_eids, NumPickFn num_pick_fn,
    PickFn pick_fn) const {
787
  const int64_t num_nodes = nodes.size(0);
788
  const auto indptr_options = indptr_.options();
789
  torch::Tensor num_picked_neighbors_per_node =
790
      torch::empty({num_nodes + 1}, indptr_options);
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  // Calculate GrainSize for parallel_for.
  // Set the default grain size to 64.
  const int64_t grain_size = 64;
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  torch::Tensor picked_eids;
  torch::Tensor subgraph_indptr;
  torch::Tensor subgraph_indices;
  torch::optional<torch::Tensor> subgraph_type_per_edge = torch::nullopt;

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  AT_DISPATCH_INDEX_TYPES(
801
      indptr_.scalar_type(), "SampleNeighborsImplWrappedWithIndptr", ([&] {
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        using indptr_t = index_t;
        AT_DISPATCH_INDEX_TYPES(
804
            nodes.scalar_type(), "SampleNeighborsImplWrappedWithNodes", ([&] {
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              using nodes_t = index_t;
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              const auto indptr_data = indptr_.data_ptr<indptr_t>();
              auto num_picked_neighbors_data_ptr =
                  num_picked_neighbors_per_node.data_ptr<indptr_t>();
              num_picked_neighbors_data_ptr[0] = 0;
              const auto nodes_data_ptr = nodes.data_ptr<nodes_t>();
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              // Step 1. Calculate pick number of each node.
              torch::parallel_for(
                  0, num_nodes, grain_size, [&](int64_t begin, int64_t end) {
                    for (int64_t i = begin; i < end; ++i) {
                      const auto nid = nodes_data_ptr[i];
                      TORCH_CHECK(
                          nid >= 0 && nid < NumNodes(),
                          "The seed nodes' IDs should fall within the range of "
                          "the "
                          "graph's node IDs.");
                      const auto offset = indptr_data[nid];
                      const auto num_neighbors = indptr_data[nid + 1] - offset;
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                      num_picked_neighbors_data_ptr[i + 1] =
                          num_neighbors == 0
                              ? 0
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                              : num_pick_fn(i, offset, num_neighbors);
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                    }
                  });
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              // Step 2. Calculate prefix sum to get total length and offsets of
              // each node. It's also the indptr of the generated subgraph.
              subgraph_indptr = num_picked_neighbors_per_node.cumsum(
                  0, indptr_.scalar_type());
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              // Step 3. Allocate the tensor for picked neighbors.
              const auto total_length =
                  subgraph_indptr.data_ptr<indptr_t>()[num_nodes];
              picked_eids = torch::empty({total_length}, indptr_options);
              subgraph_indices =
                  torch::empty({total_length}, indices_.options());
              if (type_per_edge_.has_value()) {
                subgraph_type_per_edge = torch::empty(
                    {total_length}, type_per_edge_.value().options());
              }
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              // Step 4. Pick neighbors for each node.
              auto picked_eids_data_ptr = picked_eids.data_ptr<indptr_t>();
              auto subgraph_indptr_data_ptr =
                  subgraph_indptr.data_ptr<indptr_t>();
              torch::parallel_for(
                  0, num_nodes, grain_size, [&](int64_t begin, int64_t end) {
                    for (int64_t i = begin; i < end; ++i) {
                      const auto nid = nodes_data_ptr[i];
                      const auto offset = indptr_data[nid];
                      const auto num_neighbors = indptr_data[nid + 1] - offset;
                      const auto picked_number =
                          num_picked_neighbors_data_ptr[i + 1];
                      const auto picked_offset = subgraph_indptr_data_ptr[i];
                      if (picked_number > 0) {
                        auto actual_picked_count = pick_fn(
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                            i, offset, num_neighbors,
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                            picked_eids_data_ptr + picked_offset);
                        TORCH_CHECK(
                            actual_picked_count == picked_number,
                            "Actual picked count doesn't match the calculated "
                            "pick "
                            "number.");
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                        // Step 5. Calculate other attributes and return the
                        // subgraph.
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                        AT_DISPATCH_INDEX_TYPES(
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                            subgraph_indices.scalar_type(),
                            "IndexSelectSubgraphIndices", ([&] {
                              auto subgraph_indices_data_ptr =
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                                  subgraph_indices.data_ptr<index_t>();
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                              auto indices_data_ptr =
879
                                  indices_.data_ptr<index_t>();
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                              for (auto i = picked_offset;
                                   i < picked_offset + picked_number; ++i) {
                                subgraph_indices_data_ptr[i] =
                                    indices_data_ptr[picked_eids_data_ptr[i]];
                              }
                            }));
                        if (type_per_edge_.has_value()) {
                          AT_DISPATCH_INTEGRAL_TYPES(
                              subgraph_type_per_edge.value().scalar_type(),
                              "IndexSelectTypePerEdge", ([&] {
                                auto subgraph_type_per_edge_data_ptr =
                                    subgraph_type_per_edge.value()
                                        .data_ptr<scalar_t>();
                                auto type_per_edge_data_ptr =
                                    type_per_edge_.value().data_ptr<scalar_t>();
                                for (auto i = picked_offset;
                                     i < picked_offset + picked_number; ++i) {
                                  subgraph_type_per_edge_data_ptr[i] =
                                      type_per_edge_data_ptr
                                          [picked_eids_data_ptr[i]];
                                }
                              }));
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                        }
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                      }
                    }
                  });
            }));
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      }));
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  torch::optional<torch::Tensor> subgraph_reverse_edge_ids = torch::nullopt;
  if (return_eids) subgraph_reverse_edge_ids = std::move(picked_eids);
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  return c10::make_intrusive<FusedSampledSubgraph>(
913
      subgraph_indptr, subgraph_indices, nodes, torch::nullopt,
914
      subgraph_reverse_edge_ids, subgraph_type_per_edge);
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}

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c10::intrusive_ptr<FusedSampledSubgraph> FusedCSCSamplingGraph::SampleNeighbors(
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    torch::optional<torch::Tensor> seeds,
    torch::optional<std::vector<int64_t>> seed_offsets,
    const std::vector<int64_t>& fanouts, bool replace, bool layer,
    bool return_eids, torch::optional<std::string> probs_name,
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    torch::optional<torch::Tensor> random_seed,
    double seed2_contribution) const {
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  auto probs_or_mask = this->EdgeAttribute(probs_name);

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  // If seeds does not have a value, then we expect all arguments to be resident
  // on the GPU. If seeds has a value, then we expect them to be accessible from
928
  // GPU. This is required for the dispatch to work when CUDA is not available.
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  if (((!seeds.has_value() && utils::is_on_gpu(indptr_) &&
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        utils::is_on_gpu(indices_) &&
        (!probs_or_mask.has_value() ||
         utils::is_on_gpu(probs_or_mask.value())) &&
        (!type_per_edge_.has_value() ||
         utils::is_on_gpu(type_per_edge_.value()))) ||
935
       (seeds.has_value() && utils::is_on_gpu(seeds.value()) &&
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        utils::is_accessible_from_gpu(indptr_) &&
        utils::is_accessible_from_gpu(indices_) &&
        (!probs_or_mask.has_value() ||
         utils::is_accessible_from_gpu(probs_or_mask.value())) &&
        (!type_per_edge_.has_value() ||
         utils::is_accessible_from_gpu(type_per_edge_.value())))) &&
      !replace) {
943
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945
    GRAPHBOLT_DISPATCH_CUDA_ONLY_DEVICE(
        c10::DeviceType::CUDA, "SampleNeighbors", {
          return ops::SampleNeighbors(
946
              indptr_, indices_, seeds, seed_offsets, fanouts, replace, layer,
947
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949
              return_eids, type_per_edge_, probs_or_mask, node_type_offset_,
              node_type_to_id_, edge_type_to_id_, random_seed,
              seed2_contribution);
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951
        });
  }
952
  TORCH_CHECK(seeds.has_value(), "Nodes can not be None on the CPU.");
953
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  if (probs_or_mask.has_value()) {
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    // Note probs will be passed as input for 'torch.multinomial' in deeper
    // stack, which doesn't support 'torch.half' and 'torch.bool' data types. To
    // avoid crashes, convert 'probs_or_mask' to 'float32' data type.
    if (probs_or_mask.value().dtype() == torch::kBool ||
        probs_or_mask.value().dtype() == torch::kFloat16) {
      probs_or_mask = probs_or_mask.value().to(torch::kFloat32);
    }
  }
963

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  bool with_seed_offsets = seed_offsets.has_value();

966
  if (layer) {
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    if (random_seed.has_value() && random_seed->numel() >= 2) {
      SamplerArgs<SamplerType::LABOR_DEPENDENT> args{
          indices_,
          {random_seed.value(), static_cast<float>(seed2_contribution)},
          NumNodes()};
      return SampleNeighborsImpl(
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          seeds.value(), seed_offsets, fanouts, return_eids,
          GetNumPickFn(
              fanouts, replace, type_per_edge_, probs_or_mask,
              with_seed_offsets),
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          GetPickFn(
              fanouts, replace, indptr_.options(), type_per_edge_,
979
              probs_or_mask, with_seed_offsets, args));
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    } else {
      auto args = [&] {
        if (random_seed.has_value() && random_seed->numel() == 1) {
          return SamplerArgs<SamplerType::LABOR>{
              indices_, random_seed.value(), NumNodes()};
        } else {
          return SamplerArgs<SamplerType::LABOR>{
              indices_,
              RandomEngine::ThreadLocal()->RandInt(
                  static_cast<int64_t>(0), std::numeric_limits<int64_t>::max()),
              NumNodes()};
        }
      }();
      return SampleNeighborsImpl(
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          seeds.value(), seed_offsets, fanouts, return_eids,
          GetNumPickFn(
              fanouts, replace, type_per_edge_, probs_or_mask,
              with_seed_offsets),
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999
          GetPickFn(
              fanouts, replace, indptr_.options(), type_per_edge_,
1000
              probs_or_mask, with_seed_offsets, args));
1001
    }
1002
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  } else {
    SamplerArgs<SamplerType::NEIGHBOR> args;
    return SampleNeighborsImpl(
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        seeds.value(), seed_offsets, fanouts, return_eids,
        GetNumPickFn(
            fanouts, replace, type_per_edge_, probs_or_mask, with_seed_offsets),
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        GetPickFn(
            fanouts, replace, indptr_.options(), type_per_edge_, probs_or_mask,
1010
            with_seed_offsets, args));
1011
1012
1013
  }
}

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1017
c10::intrusive_ptr<FusedSampledSubgraph>
FusedCSCSamplingGraph::TemporalSampleNeighbors(
    const torch::Tensor& input_nodes,
    const torch::Tensor& input_nodes_timestamp,
1018
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    const std::vector<int64_t>& fanouts, bool replace, bool layer,
    bool return_eids, torch::optional<std::string> probs_name,
1020
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1022
    torch::optional<std::string> node_timestamp_attr_name,
    torch::optional<std::string> edge_timestamp_attr_name) const {
  // 1. Get probs_or_mask.
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  auto probs_or_mask = this->EdgeAttribute(probs_name);
  if (probs_name.has_value()) {
    // Note probs will be passed as input for 'torch.multinomial' in deeper
    // stack, which doesn't support 'torch.half' and 'torch.bool' data types. To
    // avoid crashes, convert 'probs_or_mask' to 'float32' data type.
    if (probs_or_mask.value().dtype() == torch::kBool ||
        probs_or_mask.value().dtype() == torch::kFloat16) {
      probs_or_mask = probs_or_mask.value().to(torch::kFloat32);
    }
  }
1033
  // 2. Get the timestamp attribute for nodes of the graph
1034
  auto node_timestamp = this->NodeAttribute(node_timestamp_attr_name);
1035
  // 3. Get the timestamp attribute for edges of the graph
1036
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  auto edge_timestamp = this->EdgeAttribute(edge_timestamp_attr_name);
  // 4. Call SampleNeighborsImpl
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1041
  if (layer) {
    const int64_t random_seed = RandomEngine::ThreadLocal()->RandInt(
        static_cast<int64_t>(0), std::numeric_limits<int64_t>::max());
    SamplerArgs<SamplerType::LABOR> args{indices_, random_seed, NumNodes()};
1042
    return TemporalSampleNeighborsImpl(
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        input_nodes, return_eids,
        GetTemporalNumPickFn(
            input_nodes_timestamp, this->indices_, fanouts, replace,
            type_per_edge_, probs_or_mask, node_timestamp, edge_timestamp),
        GetTemporalPickFn(
            input_nodes_timestamp, this->indices_, fanouts, replace,
            indptr_.options(), type_per_edge_, probs_or_mask, node_timestamp,
            edge_timestamp, args));
  } else {
    SamplerArgs<SamplerType::NEIGHBOR> args;
1053
    return TemporalSampleNeighborsImpl(
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        input_nodes, return_eids,
        GetTemporalNumPickFn(
            input_nodes_timestamp, this->indices_, fanouts, replace,
            type_per_edge_, probs_or_mask, node_timestamp, edge_timestamp),
        GetTemporalPickFn(
            input_nodes_timestamp, this->indices_, fanouts, replace,
            indptr_.options(), type_per_edge_, probs_or_mask, node_timestamp,
            edge_timestamp, args));
  }
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}

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static c10::intrusive_ptr<FusedCSCSamplingGraph>
BuildGraphFromSharedMemoryHelper(SharedMemoryHelper&& helper) {
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  helper.InitializeRead();
  auto indptr = helper.ReadTorchTensor();
  auto indices = helper.ReadTorchTensor();
  auto node_type_offset = helper.ReadTorchTensor();
  auto type_per_edge = helper.ReadTorchTensor();
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  auto node_type_to_id = DetensorizeDict(helper.ReadTorchTensorDict());
  auto edge_type_to_id = DetensorizeDict(helper.ReadTorchTensorDict());
1074
  auto node_attributes = helper.ReadTorchTensorDict();
1075
  auto edge_attributes = helper.ReadTorchTensorDict();
1076
  auto graph = c10::make_intrusive<FusedCSCSamplingGraph>(
1077
      indptr.value(), indices.value(), node_type_offset, type_per_edge,
1078
      node_type_to_id, edge_type_to_id, node_attributes, edge_attributes);
1079
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  auto shared_memory = helper.ReleaseSharedMemory();
  graph->HoldSharedMemoryObject(
      std::move(shared_memory.first), std::move(shared_memory.second));
1082
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1084
  return graph;
}

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c10::intrusive_ptr<FusedCSCSamplingGraph>
FusedCSCSamplingGraph::CopyToSharedMemory(
1087
    const std::string& shared_memory_name) {
1088
  SharedMemoryHelper helper(shared_memory_name);
1089
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  helper.WriteTorchTensor(indptr_);
  helper.WriteTorchTensor(indices_);
  helper.WriteTorchTensor(node_type_offset_);
  helper.WriteTorchTensor(type_per_edge_);
1093
1094
  helper.WriteTorchTensorDict(TensorizeDict(node_type_to_id_));
  helper.WriteTorchTensorDict(TensorizeDict(edge_type_to_id_));
1095
  helper.WriteTorchTensorDict(node_attributes_);
1096
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  helper.WriteTorchTensorDict(edge_attributes_);
  helper.Flush();
  return BuildGraphFromSharedMemoryHelper(std::move(helper));
1099
1100
}

1101
1102
c10::intrusive_ptr<FusedCSCSamplingGraph>
FusedCSCSamplingGraph::LoadFromSharedMemory(
1103
    const std::string& shared_memory_name) {
1104
  SharedMemoryHelper helper(shared_memory_name);
1105
  return BuildGraphFromSharedMemoryHelper(std::move(helper));
1106
1107
}

1108
void FusedCSCSamplingGraph::HoldSharedMemoryObject(
1109
1110
1111
1112
1113
    SharedMemoryPtr tensor_metadata_shm, SharedMemoryPtr tensor_data_shm) {
  tensor_metadata_shm_ = std::move(tensor_metadata_shm);
  tensor_data_shm_ = std::move(tensor_data_shm);
}

1114
1115
template <typename PickedNumType>
void NumPick(
1116
1117
    int64_t fanout, bool replace,
    const torch::optional<torch::Tensor>& probs_or_mask, int64_t offset,
1118
    int64_t num_neighbors, PickedNumType* picked_num_ptr) {
1119
  int64_t num_valid_neighbors = num_neighbors;
1120
  if (probs_or_mask.has_value() && num_neighbors > 0) {
1121
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1128
1129
    // Subtract the count of zeros in probs_or_mask.
    AT_DISPATCH_ALL_TYPES(
        probs_or_mask.value().scalar_type(), "CountZero", ([&] {
          scalar_t* probs_data_ptr = probs_or_mask.value().data_ptr<scalar_t>();
          num_valid_neighbors -= std::count(
              probs_data_ptr + offset, probs_data_ptr + offset + num_neighbors,
              0);
        }));
  }
1130
1131
1132
1133
1134
  if (num_valid_neighbors == 0 || fanout == -1) {
    *picked_num_ptr = num_valid_neighbors;
  } else {
    *picked_num_ptr = replace ? fanout : std::min(fanout, num_valid_neighbors);
  }
1135
1136
}

1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
torch::Tensor TemporalMask(
    int64_t seed_timestamp, torch::Tensor csc_indices,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
    const torch::optional<torch::Tensor>& edge_timestamp,
    std::pair<int64_t, int64_t> edge_range) {
  auto [l, r] = edge_range;
  torch::Tensor mask = torch::ones({r - l}, torch::kBool);
  if (node_timestamp.has_value()) {
    auto neighbor_timestamp =
        node_timestamp.value().index_select(0, csc_indices.slice(0, l, r));
1148
    mask &= neighbor_timestamp < seed_timestamp;
1149
1150
  }
  if (edge_timestamp.has_value()) {
1151
    mask &= edge_timestamp.value().slice(0, l, r) < seed_timestamp;
1152
1153
1154
1155
1156
1157
1158
  }
  if (probs_or_mask.has_value()) {
    mask &= probs_or_mask.value().slice(0, l, r) != 0;
  }
  return mask;
}

1159
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1184
/**
 * @brief Fast path for temporal sampling without probability. It is used when
 * the number of neighbors is large. It randomly samples neighbors and checks
 * the timestamp of the neighbors. It is successful if the number of sampled
 * neighbors in kTriedThreshold trials is equal to the fanout.
 */
std::pair<bool, std::vector<int64_t>> FastTemporalPick(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices, int64_t fanout,
    bool replace, const torch::optional<torch::Tensor>& node_timestamp,
    const torch::optional<torch::Tensor>& edge_timestamp, int64_t seed_offset,
    int64_t offset, int64_t num_neighbors) {
  constexpr int64_t kTriedThreshold = 1000;
  auto timestamp = utils::GetValueByIndex<int64_t>(seed_timestamp, seed_offset);
  std::vector<int64_t> sampled_edges;
  sampled_edges.reserve(fanout);
  std::set<int64_t> sampled_edge_set;
  int64_t sample_count = 0;
  int64_t tried = 0;
  while (sample_count < fanout && tried < kTriedThreshold) {
    int64_t edge_id =
        RandomEngine::ThreadLocal()->RandInt(offset, offset + num_neighbors);
    ++tried;
    if (!replace && sampled_edge_set.count(edge_id) > 0) {
      continue;
    }
    if (node_timestamp.has_value()) {
1185
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1187
1188
1189
1190
1191
1192
1193
1194
      bool flag = true;
      AT_DISPATCH_INDEX_TYPES(
          csc_indices.scalar_type(), "CheckNodeTimeStamp", ([&] {
            int64_t neighbor_id =
                utils::GetValueByIndex<index_t>(csc_indices, edge_id);
            if (utils::GetValueByIndex<int64_t>(
                    node_timestamp.value(), neighbor_id) >= timestamp)
              flag = false;
          }));
      if (!flag) continue;
1195
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1203
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1206
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1208
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1212
    }
    if (edge_timestamp.has_value() &&
        utils::GetValueByIndex<int64_t>(edge_timestamp.value(), edge_id) >=
            timestamp) {
      continue;
    }
    if (!replace) {
      sampled_edge_set.insert(edge_id);
    }
    sampled_edges.push_back(edge_id);
    sample_count++;
  }
  if (sample_count < fanout) {
    return {false, {}};
  }
  return {true, sampled_edges};
}

1213
1214
1215
1216
1217
1218
int64_t TemporalNumPick(
    torch::Tensor seed_timestamp, torch::Tensor csc_indics, int64_t fanout,
    bool replace, const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
    const torch::optional<torch::Tensor>& edge_timestamp, int64_t seed_offset,
    int64_t offset, int64_t num_neighbors) {
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
  constexpr int64_t kFastPathThreshold = 1000;
  if (num_neighbors > kFastPathThreshold && !probs_or_mask.has_value()) {
    // TODO: Currently we use the fast path both in TemporalNumPick and
    // TemporalPick. We may only sample once in TemporalNumPick and use the
    // sampled edges in TemporalPick to avoid sampling twice.
    auto [success, sampled_edges] = FastTemporalPick(
        seed_timestamp, csc_indics, fanout, replace, node_timestamp,
        edge_timestamp, seed_offset, offset, num_neighbors);
    if (success) return sampled_edges.size();
  }
1229
1230
1231
1232
1233
1234
1235
1236
1237
  auto mask = TemporalMask(
      utils::GetValueByIndex<int64_t>(seed_timestamp, seed_offset), csc_indics,
      probs_or_mask, node_timestamp, edge_timestamp,
      {offset, offset + num_neighbors});
  int64_t num_valid_neighbors = utils::GetValueByIndex<int64_t>(mask.sum(), 0);
  if (num_valid_neighbors == 0 || fanout == -1) return num_valid_neighbors;
  return replace ? fanout : std::min(fanout, num_valid_neighbors);
}

1238
1239
1240
template <typename PickedNumType>
void NumPickByEtype(
    bool with_seed_offsets, const std::vector<int64_t>& fanouts, bool replace,
1241
1242
    const torch::Tensor& type_per_edge,
    const torch::optional<torch::Tensor>& probs_or_mask, int64_t offset,
1243
1244
    int64_t num_neighbors, PickedNumType* num_picked_ptr, int64_t seed_index,
    const std::vector<int64_t>& etype_id_to_num_picked_offset) {
1245
1246
  int64_t etype_begin = offset;
  const int64_t end = offset + num_neighbors;
1247
  PickedNumType total_count = 0;
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
  AT_DISPATCH_INTEGRAL_TYPES(
      type_per_edge.scalar_type(), "NumPickFnByEtype", ([&] {
        const scalar_t* type_per_edge_data = type_per_edge.data_ptr<scalar_t>();
        while (etype_begin < end) {
          scalar_t etype = type_per_edge_data[etype_begin];
          TORCH_CHECK(
              etype >= 0 && etype < (int64_t)fanouts.size(),
              "Etype values exceed the number of fanouts.");
          auto etype_end_it = std::upper_bound(
              type_per_edge_data + etype_begin, type_per_edge_data + end,
              etype);
          int64_t etype_end = etype_end_it - type_per_edge_data;
          // Do sampling for one etype.
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
          if (with_seed_offsets) {
            // The pick numbers aren't stored continuously, but separately for
            // each different etype.
            const auto offset =
                etype_id_to_num_picked_offset[etype] + seed_index;
            NumPick(
                fanouts[etype], replace, probs_or_mask, etype_begin,
                etype_end - etype_begin, num_picked_ptr + offset);
          } else {
            PickedNumType picked_count = 0;
            NumPick(
                fanouts[etype], replace, probs_or_mask, etype_begin,
                etype_end - etype_begin, &picked_count);
            total_count += picked_count;
          }
1276
1277
1278
          etype_begin = etype_end;
        }
      }));
1279
1280
1281
  if (!with_seed_offsets) {
    num_picked_ptr[seed_index] = total_count;
  }
1282
1283
}

1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
int64_t TemporalNumPickByEtype(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices,
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::Tensor& type_per_edge,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
    const torch::optional<torch::Tensor>& edge_timestamp, int64_t seed_offset,
    int64_t offset, int64_t num_neighbors) {
  int64_t etype_begin = offset;
  const int64_t end = offset + num_neighbors;
  int64_t total_count = 0;
  AT_DISPATCH_INTEGRAL_TYPES(
      type_per_edge.scalar_type(), "TemporalNumPickFnByEtype", ([&] {
        const scalar_t* type_per_edge_data = type_per_edge.data_ptr<scalar_t>();
        while (etype_begin < end) {
          scalar_t etype = type_per_edge_data[etype_begin];
          TORCH_CHECK(
              etype >= 0 && etype < (int64_t)fanouts.size(),
              "Etype values exceed the number of fanouts.");
          auto etype_end_it = std::upper_bound(
              type_per_edge_data + etype_begin, type_per_edge_data + end,
              etype);
          int64_t etype_end = etype_end_it - type_per_edge_data;
          // Do sampling for one etype.
          total_count += TemporalNumPick(
              seed_timestamp, csc_indices, fanouts[etype], replace,
              probs_or_mask, node_timestamp, edge_timestamp, seed_offset,
              etype_begin, etype_end - etype_begin);
          etype_begin = etype_end;
        }
      }));
  return total_count;
}

1318
1319
1320
1321
1322
1323
1324
1325
/**
 * @brief Perform uniform sampling of elements and return the sampled indices.
 *
 * @param offset The starting edge ID for the connected neighbors of the sampled
 * node.
 * @param num_neighbors The number of neighbors to pick.
 * @param fanout The number of edges to be sampled for each node. It should be
 * >= 0 or -1.
1326
1327
1328
 *  - When the value is -1, all neighbors will be sampled once regardless of
 * replacement. It is equivalent to selecting all neighbors when the fanout is
 * >= the number of neighbors (and replacement is set to false).
1329
1330
 *  - When the value is a non-negative integer, it serves as a minimum
 * threshold for selecting neighbors.
1331
 * @param replace Boolean indicating whether the sample is performed with or
1332
1333
1334
 * without replacement. If True, a value can be selected multiple times.
 * Otherwise, each value can be selected only once.
 * @param options Tensor options specifying the desired data type of the result.
1335
1336
 * @param picked_data_ptr The destination address where the picked neighbors
 * should be put. Enough memory space should be allocated in advance.
1337
 */
1338
template <typename PickedType>
1339
inline int64_t UniformPick(
1340
    int64_t offset, int64_t num_neighbors, int64_t fanout, bool replace,
1341
    const torch::TensorOptions& options, PickedType* picked_data_ptr) {
1342
  if ((fanout == -1) || (num_neighbors <= fanout && !replace)) {
1343
    std::iota(picked_data_ptr, picked_data_ptr + num_neighbors, offset);
1344
    return num_neighbors;
1345
  } else if (replace) {
1346
1347
1348
1349
1350
    std::memcpy(
        picked_data_ptr,
        torch::randint(offset, offset + num_neighbors, {fanout}, options)
            .data_ptr<PickedType>(),
        fanout * sizeof(PickedType));
1351
    return fanout;
1352
  } else {
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
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1371
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1374
1375
1376
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1379
1380
1381
1382
1383
1384
1385
1386
    // We use different sampling strategies for different sampling case.
    if (fanout >= num_neighbors / 10) {
      // [Algorithm]
      // This algorithm is conceptually related to the Fisher-Yates
      // shuffle.
      //
      // [Complexity Analysis]
      // This algorithm's memory complexity is O(num_neighbors), but
      // it generates fewer random numbers (O(fanout)).
      //
      // (Compare) Reservoir algorithm is one of the most classical
      // sampling algorithms. Both the reservoir algorithm and our
      // algorithm offer distinct advantages, we need to compare to
      // illustrate our trade-offs.
      // The reservoir algorithm is memory-efficient (O(fanout)) but
      // creates many random numbers (O(num_neighbors)), which is
      // costly.
      //
      // [Practical Consideration]
      // Use this algorithm when `fanout >= num_neighbors / 10` to
      // reduce computation.
      // In this scenarios above, memory complexity is not a concern due
      // to the small size of both `fanout` and `num_neighbors`. And it
      // is efficient to allocate a small amount of memory. So the
      // algorithm performence is great in this case.
      std::vector<PickedType> seq(num_neighbors);
      // Assign the seq with [offset, offset + num_neighbors].
      std::iota(seq.begin(), seq.end(), offset);
      for (int64_t i = 0; i < fanout; ++i) {
        auto j = RandomEngine::ThreadLocal()->RandInt(i, num_neighbors);
        std::swap(seq[i], seq[j]);
      }
      // Save the randomly sampled fanout elements to the output tensor.
      std::copy(seq.begin(), seq.begin() + fanout, picked_data_ptr);
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      return fanout;
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    } else if (fanout < 64) {
      // [Algorithm]
      // Use linear search to verify uniqueness.
      //
      // [Complexity Analysis]
      // Since the set of numbers is small (up to 64), so it is more
      // cost-effective for the CPU to use this algorithm.
      auto begin = picked_data_ptr;
      auto end = picked_data_ptr + fanout;

      while (begin != end) {
        // Put the new random number in the last position.
        *begin = RandomEngine::ThreadLocal()->RandInt(
            offset, offset + num_neighbors);
        // Check if a new value doesn't exist in current
        // range(picked_data_ptr, begin). Otherwise get a new
        // value until we haven't unique range of elements.
        auto it = std::find(picked_data_ptr, begin, *begin);
        if (it == begin) ++begin;
      }
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      return fanout;
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    } else {
      // [Algorithm]
      // Use hash-set to verify uniqueness. In the best scenario, the
      // time complexity is O(fanout), assuming no conflicts occur.
      //
      // [Complexity Analysis]
      // Let K = (fanout / num_neighbors), the expected number of extra
      // sampling steps is roughly K^2 / (1-K) * num_neighbors, which
      // means in the worst case scenario, the time complexity is
      // O(num_neighbors^2).
      //
      // [Practical Consideration]
      // In practice, we set the threshold K to 1/10. This trade-off is
      // due to the slower performance of std::unordered_set, which
      // would otherwise increase the sampling cost. By doing so, we
      // achieve a balance between theoretical efficiency and practical
      // performance.
      std::unordered_set<PickedType> picked_set;
      while (static_cast<int64_t>(picked_set.size()) < fanout) {
        picked_set.insert(RandomEngine::ThreadLocal()->RandInt(
            offset, offset + num_neighbors));
      }
      std::copy(picked_set.begin(), picked_set.end(), picked_data_ptr);
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      return picked_set.size();
1433
    }
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  }
}

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/** @brief An operator to perform non-uniform sampling. */
static torch::Tensor NonUniformPickOp(
    torch::Tensor probs, int64_t fanout, bool replace) {
  auto positive_probs_indices = probs.nonzero().squeeze(1);
  auto num_positive_probs = positive_probs_indices.size(0);
  if (num_positive_probs == 0) return torch::empty({0}, torch::kLong);
  if ((fanout == -1) || (num_positive_probs <= fanout && !replace)) {
    return positive_probs_indices;
  }
  if (!replace) fanout = std::min(fanout, num_positive_probs);
  if (fanout == 0) return torch::empty({0}, torch::kLong);
  auto ret_tensor = torch::empty({fanout}, torch::kLong);
  auto ret_ptr = ret_tensor.data_ptr<int64_t>();
  AT_DISPATCH_FLOATING_TYPES(
      probs.scalar_type(), "MultinomialSampling", ([&] {
        auto probs_data_ptr = probs.data_ptr<scalar_t>();
        auto positive_probs_indices_ptr =
            positive_probs_indices.data_ptr<int64_t>();

        if (!replace) {
          // The algorithm is from gumbel softmax.
          // s = argmax( logp - log(-log(eps)) ) where eps ~ U(0, 1).
          // Here we can apply exp to the formula which will not affect result
          // of argmax or topk. Then we have
          // s = argmax( p / (-log(eps)) ) where eps ~ U(0, 1).
          // We can also simplify the formula above by
          // s = argmax( p / q ) where q ~ Exp(1).
          if (fanout == 1) {
            // Return argmax(p / q).
            scalar_t max_prob = 0;
            int64_t max_prob_index = -1;
            // We only care about the neighbors with non-zero probability.
            for (auto i = 0; i < num_positive_probs; ++i) {
              // Calculate (p / q) for the current neighbor.
              scalar_t current_prob =
                  probs_data_ptr[positive_probs_indices_ptr[i]] /
                  RandomEngine::ThreadLocal()->Exponential(1.);
              if (current_prob > max_prob) {
                max_prob = current_prob;
                max_prob_index = positive_probs_indices_ptr[i];
              }
            }
            ret_ptr[0] = max_prob_index;
          } else {
            // Return topk(p / q).
            std::vector<std::pair<scalar_t, int64_t>> q(num_positive_probs);
            for (auto i = 0; i < num_positive_probs; ++i) {
              q[i].first = probs_data_ptr[positive_probs_indices_ptr[i]] /
                           RandomEngine::ThreadLocal()->Exponential(1.);
              q[i].second = positive_probs_indices_ptr[i];
            }
            if (fanout < num_positive_probs / 64) {
              // Use partial_sort.
              std::partial_sort(
                  q.begin(), q.begin() + fanout, q.end(), std::greater{});
              for (auto i = 0; i < fanout; ++i) {
                ret_ptr[i] = q[i].second;
              }
            } else {
              // Use nth_element.
              std::nth_element(
                  q.begin(), q.begin() + fanout - 1, q.end(), std::greater{});
              for (auto i = 0; i < fanout; ++i) {
                ret_ptr[i] = q[i].second;
              }
            }
          }
        } else {
          // Calculate cumulative sum of probabilities.
          std::vector<scalar_t> prefix_sum_probs(num_positive_probs);
          scalar_t sum_probs = 0;
          for (auto i = 0; i < num_positive_probs; ++i) {
            sum_probs += probs_data_ptr[positive_probs_indices_ptr[i]];
            prefix_sum_probs[i] = sum_probs;
          }
          // Normalize.
          if ((sum_probs > 1.00001) || (sum_probs < 0.99999)) {
            for (auto i = 0; i < num_positive_probs; ++i) {
              prefix_sum_probs[i] /= sum_probs;
            }
          }
          for (auto i = 0; i < fanout; ++i) {
            // Sample a probability mass from a uniform distribution.
            double uniform_sample =
                RandomEngine::ThreadLocal()->Uniform(0., 1.);
            // Use a binary search to find the index.
            int sampled_index = std::lower_bound(
                                    prefix_sum_probs.begin(),
                                    prefix_sum_probs.end(), uniform_sample) -
                                prefix_sum_probs.begin();
            ret_ptr[i] = positive_probs_indices_ptr[sampled_index];
          }
        }
      }));
  return ret_tensor;
}

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/**
 * @brief Perform non-uniform sampling of elements based on probabilities and
 * return the sampled indices.
 *
 * If 'probs_or_mask' is provided, it indicates that the sampling is
 * non-uniform. In such cases:
 * - When the number of neighbors with non-zero probability is less than or
 * equal to fanout, all neighbors with non-zero probability will be selected.
 * - When the number of neighbors with non-zero probability exceeds fanout, the
 * sampling process will select 'fanout' elements based on their respective
 * probabilities. Higher probabilities will increase the chances of being chosen
 * during the sampling process.
 *
 * @param offset The starting edge ID for the connected neighbors of the sampled
 * node.
 * @param num_neighbors The number of neighbors to pick.
 * @param fanout The number of edges to be sampled for each node. It should be
 * >= 0 or -1.
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 *  - When the value is -1, all neighbors with non-zero probability will be
 * sampled once regardless of replacement. It is equivalent to selecting all
 * neighbors with non-zero probability when the fanout is >= the number of
 * neighbors (and replacement is set to false).
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 *  - When the value is a non-negative integer, it serves as a minimum
 * threshold for selecting neighbors.
1558
 * @param replace Boolean indicating whether the sample is performed with or
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 * without replacement. If True, a value can be selected multiple times.
 * Otherwise, each value can be selected only once.
 * @param options Tensor options specifying the desired data type of the result.
 * @param probs_or_mask Optional tensor containing the (unnormalized)
 * probabilities associated with each neighboring edge of a node in the original
 * graph. It must be a 1D floating-point tensor with the number of elements
 * equal to the number of edges in the graph.
1566
1567
 * @param picked_data_ptr The destination address where the picked neighbors
 * should be put. Enough memory space should be allocated in advance.
1568
 */
1569
template <typename PickedType>
1570
inline int64_t NonUniformPick(
1571
    int64_t offset, int64_t num_neighbors, int64_t fanout, bool replace,
1572
    const torch::TensorOptions& options, const torch::Tensor& probs_or_mask,
1573
    PickedType* picked_data_ptr) {
1574
  auto local_probs =
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      probs_or_mask.size(0) > num_neighbors
          ? probs_or_mask.slice(0, offset, offset + num_neighbors)
          : probs_or_mask;
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  auto picked_indices = NonUniformPickOp(local_probs, fanout, replace);
  auto picked_indices_ptr = picked_indices.data_ptr<int64_t>();
  for (int i = 0; i < picked_indices.numel(); ++i) {
    picked_data_ptr[i] =
        static_cast<PickedType>(picked_indices_ptr[i]) + offset;
1583
  }
1584
  return picked_indices.numel();
1585
1586
}

1587
template <typename PickedType>
1588
int64_t Pick(
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    int64_t offset, int64_t num_neighbors, int64_t fanout, bool replace,
    const torch::TensorOptions& options,
1591
    const torch::optional<torch::Tensor>& probs_or_mask,
1592
    SamplerArgs<SamplerType::NEIGHBOR> args, PickedType* picked_data_ptr) {
1593
  if (fanout == 0 || num_neighbors == 0) return 0;
1594
  if (probs_or_mask.has_value()) {
1595
    return NonUniformPick(
1596
        offset, num_neighbors, fanout, replace, options, probs_or_mask.value(),
1597
        picked_data_ptr);
1598
  } else {
1599
    return UniformPick(
1600
        offset, num_neighbors, fanout, replace, options, picked_data_ptr);
1601
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1603
  }
}

1604
template <SamplerType S, typename PickedType>
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int64_t TemporalPick(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices,
    int64_t seed_offset, int64_t offset, int64_t num_neighbors, int64_t fanout,
    bool replace, const torch::TensorOptions& options,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
1611
    const torch::optional<torch::Tensor>& edge_timestamp, SamplerArgs<S> args,
1612
    PickedType* picked_data_ptr) {
1613
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1625
  constexpr int64_t kFastPathThreshold = 1000;
  if (S == SamplerType::NEIGHBOR && num_neighbors > kFastPathThreshold &&
      !probs_or_mask.has_value()) {
    auto [success, sampled_edges] = FastTemporalPick(
        seed_timestamp, csc_indices, fanout, replace, node_timestamp,
        edge_timestamp, seed_offset, offset, num_neighbors);
    if (success) {
      for (size_t i = 0; i < sampled_edges.size(); ++i) {
        picked_data_ptr[i] = static_cast<PickedType>(sampled_edges[i]);
      }
      return sampled_edges.size();
    }
  }
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  auto mask = TemporalMask(
      utils::GetValueByIndex<int64_t>(seed_timestamp, seed_offset), csc_indices,
      probs_or_mask, node_timestamp, edge_timestamp,
      {offset, offset + num_neighbors});
  torch::Tensor masked_prob;
  if (probs_or_mask.has_value()) {
    masked_prob =
        probs_or_mask.value().slice(0, offset, offset + num_neighbors) * mask;
  } else {
    masked_prob = mask.to(torch::kFloat32);
  }
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1645
  if constexpr (S == SamplerType::NEIGHBOR) {
    auto picked_indices = NonUniformPickOp(masked_prob, fanout, replace);
    auto picked_indices_ptr = picked_indices.data_ptr<int64_t>();
    for (int i = 0; i < picked_indices.numel(); ++i) {
      picked_data_ptr[i] =
          static_cast<PickedType>(picked_indices_ptr[i]) + offset;
    }
    return picked_indices.numel();
  }
1646
  if constexpr (is_labor(S)) {
1647
1648
1649
    return Pick(
        offset, num_neighbors, fanout, replace, options, masked_prob, args,
        picked_data_ptr);
1650
1651
1652
  }
}

1653
template <SamplerType S, typename PickedType>
1654
int64_t PickByEtype(
1655
1656
1657
    bool with_seed_offsets, int64_t offset, int64_t num_neighbors,
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::TensorOptions& options, const torch::Tensor& type_per_edge,
1658
    const torch::optional<torch::Tensor>& probs_or_mask, SamplerArgs<S> args,
1659
1660
1661
    PickedType* picked_data_ptr, int64_t seed_index,
    PickedType* subgraph_indptr_ptr,
    const std::vector<int64_t>& etype_id_to_num_picked_offset) {
1662
1663
  int64_t etype_begin = offset;
  int64_t etype_end = offset;
1664
  int64_t picked_total_count = 0;
1665
1666
1667
  AT_DISPATCH_INTEGRAL_TYPES(
      type_per_edge.scalar_type(), "PickByEtype", ([&] {
        const scalar_t* type_per_edge_data = type_per_edge.data_ptr<scalar_t>();
1668
1669
1670
        const auto end = offset + num_neighbors;
        while (etype_begin < end) {
          scalar_t etype = type_per_edge_data[etype_begin];
1671
          TORCH_CHECK(
1672
              etype >= 0 && etype < (int64_t)fanouts.size(),
1673
              "Etype values exceed the number of fanouts.");
1674
          int64_t fanout = fanouts[etype];
1675
1676
1677
1678
          auto etype_end_it = std::upper_bound(
              type_per_edge_data + etype_begin, type_per_edge_data + end,
              etype);
          etype_end = etype_end_it - type_per_edge_data;
1679
1680
          // Do sampling for one etype. The picked nodes aren't stored
          // continuously, but separately for each different etype.
1681
          if (fanout != 0) {
1682
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1703
            auto picked_count = 0;
            if (with_seed_offsets) {
              const auto indptr_offset =
                  etype_id_to_num_picked_offset[etype] + seed_index;
              picked_count = Pick(
                  etype_begin, etype_end - etype_begin, fanout, replace,
                  options, probs_or_mask, args,
                  picked_data_ptr + subgraph_indptr_ptr[indptr_offset]);
              TORCH_CHECK(
                  subgraph_indptr_ptr[indptr_offset + 1] -
                          subgraph_indptr_ptr[indptr_offset] ==
                      picked_count,
                  "Actual picked count doesn't match the calculated "
                  "pick number.");
            } else {
              picked_count = Pick(
                  etype_begin, etype_end - etype_begin, fanout, replace,
                  options, probs_or_mask, args,
                  picked_data_ptr + subgraph_indptr_ptr[seed_index] +
                      picked_total_count);
            }
            picked_total_count += picked_count;
1704
1705
1706
1707
          }
          etype_begin = etype_end;
        }
      }));
1708
  return picked_total_count;
1709
1710
}

1711
template <SamplerType S, typename PickedType>
1712
1713
1714
1715
1716
1717
1718
int64_t TemporalPickByEtype(
    torch::Tensor seed_timestamp, torch::Tensor csc_indices,
    int64_t seed_offset, int64_t offset, int64_t num_neighbors,
    const std::vector<int64_t>& fanouts, bool replace,
    const torch::TensorOptions& options, const torch::Tensor& type_per_edge,
    const torch::optional<torch::Tensor>& probs_or_mask,
    const torch::optional<torch::Tensor>& node_timestamp,
1719
    const torch::optional<torch::Tensor>& edge_timestamp, SamplerArgs<S> args,
1720
1721
1722
1723
1724
1725
1726
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1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
    PickedType* picked_data_ptr) {
  int64_t etype_begin = offset;
  int64_t etype_end = offset;
  int64_t pick_offset = 0;
  AT_DISPATCH_INTEGRAL_TYPES(
      type_per_edge.scalar_type(), "TemporalPickByEtype", ([&] {
        const scalar_t* type_per_edge_data = type_per_edge.data_ptr<scalar_t>();
        const auto end = offset + num_neighbors;
        while (etype_begin < end) {
          scalar_t etype = type_per_edge_data[etype_begin];
          TORCH_CHECK(
              etype >= 0 && etype < (int64_t)fanouts.size(),
              "Etype values exceed the number of fanouts.");
          int64_t fanout = fanouts[etype];
          auto etype_end_it = std::upper_bound(
              type_per_edge_data + etype_begin, type_per_edge_data + end,
              etype);
          etype_end = etype_end_it - type_per_edge_data;
          // Do sampling for one etype.
          if (fanout != 0) {
            int64_t picked_count = TemporalPick(
                seed_timestamp, csc_indices, seed_offset, etype_begin,
                etype_end - etype_begin, fanout, replace, options,
1743
                probs_or_mask, node_timestamp, edge_timestamp, args,
1744
1745
1746
1747
1748
1749
1750
1751
1752
                picked_data_ptr + pick_offset);
            pick_offset += picked_count;
          }
          etype_begin = etype_end;
        }
      }));
  return pick_offset;
}

1753
1754
template <SamplerType S, typename PickedType>
std::enable_if_t<is_labor(S), int64_t> Pick(
1755
1756
    int64_t offset, int64_t num_neighbors, int64_t fanout, bool replace,
    const torch::TensorOptions& options,
1757
1758
    const torch::optional<torch::Tensor>& probs_or_mask, SamplerArgs<S> args,
    PickedType* picked_data_ptr) {
1759
  if (fanout == 0 || num_neighbors == 0) return 0;
1760
  if (probs_or_mask.has_value()) {
1761
    if (fanout < 0) {
1762
      return NonUniformPick(
1763
1764
          offset, num_neighbors, fanout, replace, options,
          probs_or_mask.value(), picked_data_ptr);
1765
    } else {
1766
      int64_t picked_count;
1767
1768
1769
      AT_DISPATCH_FLOATING_TYPES(
          probs_or_mask.value().scalar_type(), "LaborPickFloatType", ([&] {
            if (replace) {
1770
              picked_count = LaborPick<true, true, scalar_t>(
1771
1772
1773
                  offset, num_neighbors, fanout, options, probs_or_mask, args,
                  picked_data_ptr);
            } else {
1774
              picked_count = LaborPick<true, false, scalar_t>(
1775
1776
1777
1778
                  offset, num_neighbors, fanout, options, probs_or_mask, args,
                  picked_data_ptr);
            }
          }));
1779
      return picked_count;
1780
1781
    }
  } else if (fanout < 0) {
1782
    return UniformPick(
1783
        offset, num_neighbors, fanout, replace, options, picked_data_ptr);
1784
  } else if (replace) {
1785
    return LaborPick<false, true, float>(
1786
        offset, num_neighbors, fanout, options,
1787
        /* probs_or_mask= */ torch::nullopt, args, picked_data_ptr);
1788
  } else {  // replace = false
1789
    return LaborPick<false, false, float>(
1790
        offset, num_neighbors, fanout, options,
1791
        /* probs_or_mask= */ torch::nullopt, args, picked_data_ptr);
1792
1793
1794
1795
1796
1797
1798
1799
  }
}

template <typename T, typename U>
inline void safe_divide(T& a, U b) {
  a = b > 0 ? (T)(a / b) : std::numeric_limits<T>::infinity();
}

1800
1801
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1804
1805
1806
1807
namespace labor {

template <typename T>
inline T invcdf(T u, int64_t n, T rem) {
  constexpr T one = 1;
  return rem * (one - std::pow(one - u, one / n));
}

1808
template <typename T, typename seed_t>
1809
inline T jth_sorted_uniform_random(
1810
    seed_t seed, int64_t t, int64_t c, int64_t j, T& rem, int64_t n) {
1811
1812
1813
1814
1815
1816
1817
1818
  const T u = seed.uniform(t + j * c);
  // https://mathematica.stackexchange.com/a/256707
  rem -= invcdf(u, n, rem);
  return 1 - rem;
}

};  // namespace labor

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/**
 * @brief Perform uniform-nonuniform sampling of elements depending on the
 * template parameter NonUniform and return the sampled indices.
 *
 * @param offset The starting edge ID for the connected neighbors of the sampled
 * node.
 * @param num_neighbors The number of neighbors to pick.
 * @param fanout The number of edges to be sampled for each node. It should be
 * >= 0 or -1.
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 *  - When the value is -1, all neighbors (with non-zero probability, if
 * weighted) will be sampled once regardless of replacement. It is equivalent to
 * selecting all neighbors with non-zero probability when the fanout is >= the
 * number of neighbors (and replacement is set to false).
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 *  - When the value is a non-negative integer, it serves as a minimum
 * threshold for selecting neighbors.
 * @param options Tensor options specifying the desired data type of the result.
 * @param probs_or_mask Optional tensor containing the (unnormalized)
 * probabilities associated with each neighboring edge of a node in the original
 * graph. It must be a 1D floating-point tensor with the number of elements
 * equal to the number of edges in the graph.
 * @param args Contains labor specific arguments.
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 * @param picked_data_ptr The destination address where the picked neighbors
 * should be put. Enough memory space should be allocated in advance.
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 */
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template <
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    bool NonUniform, bool Replace, typename ProbsType, SamplerType S,
    typename PickedType, int StackSize>
inline std::enable_if_t<is_labor(S), int64_t> LaborPick(
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    int64_t offset, int64_t num_neighbors, int64_t fanout,
    const torch::TensorOptions& options,
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    const torch::optional<torch::Tensor>& probs_or_mask, SamplerArgs<S> args,
    PickedType* picked_data_ptr) {
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  fanout = Replace ? fanout : std::min(fanout, num_neighbors);
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  if (!NonUniform && !Replace && fanout >= num_neighbors) {
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    std::iota(picked_data_ptr, picked_data_ptr + num_neighbors, offset);
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    return num_neighbors;
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  }
  // Assuming max_degree of a vertex is <= 4 billion.
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  std::array<std::pair<float, uint32_t>, StackSize> heap;
  auto heap_data = heap.data();
  torch::Tensor heap_tensor;
  if (fanout > StackSize) {
    constexpr int factor = sizeof(heap_data[0]) / sizeof(int32_t);
    heap_tensor = torch::empty({fanout * factor}, torch::kInt32);
    heap_data = reinterpret_cast<std::pair<float, uint32_t>*>(
        heap_tensor.data_ptr<int32_t>());
  }
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  const ProbsType* local_probs_data =
      NonUniform ? probs_or_mask.value().data_ptr<ProbsType>() + offset
                 : nullptr;
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  if (NonUniform && probs_or_mask.value().size(0) <= num_neighbors) {
    local_probs_data -= offset;
  }
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  AT_DISPATCH_INDEX_TYPES(
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      args.indices.scalar_type(), "LaborPickMain", ([&] {
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        const auto local_indices_data =
            reinterpret_cast<index_t*>(args.indices.data_ptr()) + offset;
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        if constexpr (Replace) {
          // [Algorithm] @mfbalin
          // Use a max-heap to get rid of the big random numbers and filter the
          // smallest fanout of them. Implements arXiv:2210.13339 Section A.3.
          // Unlike sampling without replacement below, the same item can be
          // included fanout times in our sample. Thus, we sort and pick the
          // smallest fanout random numbers out of num_neighbors * fanout of
          // them. Each item has fanout many random numbers in the race and the
          // smallest fanout of them get picked. Instead of generating
          // fanout * num_neighbors random numbers and increase the complexity,
          // I devised an algorithm to generate the fanout numbers for an item
          // in a sorted manner on demand, meaning we continue generating random
          // numbers for an item only if it has been sampled that many times
          // already.
          // https://gist.github.com/mfbalin/096dcad5e3b1f6a59ff7ff2f9f541618
          //
          // [Complexity Analysis]
          // Will modify the heap at most linear in O(num_neighbors + fanout)
          // and each modification takes O(log(fanout)). So the total complexity
          // is O((fanout + num_neighbors) log(fanout)). It is possible to
          // decrease the logarithmic factor down to
          // O(log(min(fanout, num_neighbors))).
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          std::array<float, StackSize> remaining;
          auto remaining_data = remaining.data();
          torch::Tensor remaining_tensor;
          if (num_neighbors > StackSize) {
            remaining_tensor = torch::empty({num_neighbors}, torch::kFloat32);
            remaining_data = remaining_tensor.data_ptr<float>();
          }
          std::fill_n(remaining_data, num_neighbors, 1.f);
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          auto heap_end = heap_data;
          const auto init_count = (num_neighbors + fanout - 1) / num_neighbors;
          auto sample_neighbor_i_with_index_t_jth_time =
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              [&](index_t t, int64_t j, uint32_t i) {
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                auto rnd = labor::jth_sorted_uniform_random(
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                    args.random_seed, t, args.num_nodes, j, remaining_data[i],
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                    fanout - j);  // r_t
                if constexpr (NonUniform) {
                  safe_divide(rnd, local_probs_data[i]);
                }  // r_t / \pi_t
                if (heap_end < heap_data + fanout) {
                  heap_end[0] = std::make_pair(rnd, i);
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                  if (++heap_end >= heap_data + fanout) {
                    std::make_heap(heap_data, heap_data + fanout);
                  }
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                  return false;
                } else if (rnd < heap_data[0].first) {
                  std::pop_heap(heap_data, heap_data + fanout);
                  heap_data[fanout - 1] = std::make_pair(rnd, i);
                  std::push_heap(heap_data, heap_data + fanout);
                  return false;
                } else {
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                  remaining_data[i] = -1;
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                  return true;
                }
              };
          for (uint32_t i = 0; i < num_neighbors; ++i) {
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            const auto t = local_indices_data[i];
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            for (int64_t j = 0; j < init_count; j++) {
              sample_neighbor_i_with_index_t_jth_time(t, j, i);
            }
          }
          for (uint32_t i = 0; i < num_neighbors; ++i) {
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            if (remaining_data[i] == -1) continue;
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            const auto t = local_indices_data[i];
            for (int64_t j = init_count; j < fanout; ++j) {
              if (sample_neighbor_i_with_index_t_jth_time(t, j, i)) break;
            }
          }
        } else {
          // [Algorithm]
          // Use a max-heap to get rid of the big random numbers and filter the
          // smallest fanout of them. Implements arXiv:2210.13339 Section A.3.
          //
          // [Complexity Analysis]
          // the first for loop and std::make_heap runs in time O(fanouts).
          // The next for loop compares each random number to the current
          // minimum fanout numbers. For any given i, the probability that the
          // current random number will replace any number in the heap is fanout
          // / i. Summing from i=fanout to num_neighbors, we get f * (H_n -
          // H_f), where n is num_neighbors and f is fanout, H_f is \sum_j=1^f
          // 1/j. In the end H_n - H_f = O(log n/f), there are n - f iterations,
          // each heap operation takes time log f, so the total complexity is
          // O(f + (n - f)
          // + f log(n/f) log f) = O(n + f log(f) log(n/f)). If f << n (f is a
          // constant in almost all cases), then the average complexity is
          // O(num_neighbors).
          for (uint32_t i = 0; i < fanout; ++i) {
            const auto t = local_indices_data[i];
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            auto rnd = args.random_seed.uniform(t);  // r_t
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            if constexpr (NonUniform) {
              safe_divide(rnd, local_probs_data[i]);
            }  // r_t / \pi_t
            heap_data[i] = std::make_pair(rnd, i);
          }
          if (!NonUniform || fanout < num_neighbors) {
            std::make_heap(heap_data, heap_data + fanout);
          }
          for (uint32_t i = fanout; i < num_neighbors; ++i) {
            const auto t = local_indices_data[i];
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            auto rnd = args.random_seed.uniform(t);  // r_t
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            if constexpr (NonUniform) {
              safe_divide(rnd, local_probs_data[i]);
            }  // r_t / \pi_t
            if (rnd < heap_data[0].first) {
              std::pop_heap(heap_data, heap_data + fanout);
              heap_data[fanout - 1] = std::make_pair(rnd, i);
              std::push_heap(heap_data, heap_data + fanout);
            }
          }
        }
      }));
  int64_t num_sampled = 0;
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  for (int64_t i = 0; i < fanout; ++i) {
    const auto [rnd, j] = heap_data[i];
    if (!NonUniform || rnd < std::numeric_limits<float>::infinity()) {
      picked_data_ptr[num_sampled++] = offset + j;
    }
  }
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  return num_sampled;
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}

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}  // namespace sampling
}  // namespace graphbolt