Support Negative Sampling in pylibcugraph and cuGraph-PyG (#4660)

Adds support for negative sampling in `pylibcugraph` and `cugraph-pyg`.

Closes rapidsai/cugraph-gnn#39
Merge after #4641

Authors:
  - Alex Barghi (https://github.com/alexbarghi-nv)

Approvers:
  - Chuck Hastings (https://github.com/ChuckHastings)
  - Rick Ratzel (https://github.com/rlratzel)

URL: #4660

cpp/src/c_api/graph_generators.cpp

@@ -124,32 +124,41 @@ cugraph_error_code_t cugraph_generate_rmat_edgelists(
 extern "C" cugraph_type_erased_device_array_view_t* cugraph_coo_get_sources(cugraph_coo_t* coo)
 {
   auto internal_pointer = reinterpret_cast<cugraph::c_api::cugraph_coo_t*>(coo);
-  return reinterpret_cast<cugraph_type_erased_device_array_view_t*>(internal_pointer->src_->view());
+  return (internal_pointer->src_) ? reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
+                                      internal_pointer->src_->view())
+                                  : nullptr;
 }
 
 extern "C" cugraph_type_erased_device_array_view_t* cugraph_coo_get_destinations(cugraph_coo_t* coo)
 {
   auto internal_pointer = reinterpret_cast<cugraph::c_api::cugraph_coo_t*>(coo);
-  return reinterpret_cast<cugraph_type_erased_device_array_view_t*>(internal_pointer->dst_->view());
+  return (internal_pointer->dst_) ? reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
+                                      internal_pointer->dst_->view())
+                                  : nullptr;
 }
 
 extern "C" cugraph_type_erased_device_array_view_t* cugraph_coo_get_edge_weights(cugraph_coo_t* coo)
 {
   auto internal_pointer = reinterpret_cast<cugraph::c_api::cugraph_coo_t*>(coo);
-  return reinterpret_cast<cugraph_type_erased_device_array_view_t*>(internal_pointer->wgt_->view());
+  return (internal_pointer->wgt_) ? reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
+                                      internal_pointer->wgt_->view())
+                                  : nullptr;
 }
 
 extern "C" cugraph_type_erased_device_array_view_t* cugraph_coo_get_edge_id(cugraph_coo_t* coo)
 {
   auto internal_pointer = reinterpret_cast<cugraph::c_api::cugraph_coo_t*>(coo);
-  return reinterpret_cast<cugraph_type_erased_device_array_view_t*>(internal_pointer->id_->view());
+  return (internal_pointer->id_) ? reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
+                                     internal_pointer->id_->view())
+                                 : nullptr;
 }
 
 extern "C" cugraph_type_erased_device_array_view_t* cugraph_coo_get_edge_type(cugraph_coo_t* coo)
 {
   auto internal_pointer = reinterpret_cast<cugraph::c_api::cugraph_coo_t*>(coo);
-  return reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
-    internal_pointer->type_->view());
+  return (internal_pointer->type_) ? reinterpret_cast<cugraph_type_erased_device_array_view_t*>(
+                                       internal_pointer->type_->view())
+                                   : nullptr;
 }
 
 extern "C" size_t cugraph_coo_list_size(const cugraph_coo_list_t* coo_list)

python/cugraph-dgl/cugraph_dgl/dataloading/neighbor_sampler.py

@@ -197,10 +197,8 @@ def sample(
 
         if g.is_homogeneous:
             indices = torch.concat(list(indices))
-            ds.sample_from_nodes(indices.long(), batch_size=batch_size)
-            return HomogeneousSampleReader(
-                ds.get_reader(), self.output_format, self.edge_dir
-            )
+            reader = ds.sample_from_nodes(indices.long(), batch_size=batch_size)
+            return HomogeneousSampleReader(reader, self.output_format, self.edge_dir)
 
         raise ValueError(
             "Sampling heterogeneous graphs is currently"

python/cugraph-dgl/cugraph_dgl/dataloading/sampler.py

@@ -20,7 +20,6 @@
     create_homogeneous_sampled_graphs_from_tensors_csc,
 )
 
-from cugraph.gnn import DistSampleReader
 
 from cugraph.utilities.utils import import_optional
 
@@ -33,14 +32,18 @@ class SampleReader:
     Iterator that processes results from the cuGraph distributed sampler.
     """
 
-    def __init__(self, base_reader: DistSampleReader, output_format: str = "dgl.Block"):
+    def __init__(
+        self,
+        base_reader: Iterator[Tuple[Dict[str, "torch.Tensor"], int, int]],
+        output_format: str = "dgl.Block",
+    ):
         """
         Constructs a new SampleReader.
 
         Parameters
         ----------
-        base_reader: DistSampleReader
-            The reader responsible for loading saved samples produced by
+        base_reader: Iterator[Tuple[Dict[str, "torch.Tensor"], int, int]]
+            The iterator responsible for loading saved samples produced by
             the cuGraph distributed sampler.
         """
         self.__output_format = output_format
@@ -83,7 +86,7 @@ class HomogeneousSampleReader(SampleReader):
 
     def __init__(
         self,
-        base_reader: DistSampleReader,
+        base_reader: Iterator[Tuple[Dict[str, "torch.Tensor"], int, int]],
         output_format: str = "dgl.Block",
         edge_dir="in",
     ):
@@ -92,7 +95,7 @@ def __init__(
 
         Parameters
         ----------
-        base_reader: DistSampleReader
+        base_reader: Iterator[Tuple[Dict[str, "torch.Tensor"], int, int]]
             The reader responsible for loading saved samples produced by
             the cuGraph distributed sampler.
         output_format: str

python/cugraph-dgl/cugraph_dgl/graph.py

@@ -620,9 +620,6 @@ def _get_n_emb(
             )
 
         try:
-            print(
-                u,
-            )
             return self.__ndata_storage[ntype, emb_name].fetch(
                 _cast_to_torch_tensor(u), "cuda"
             )

python/cugraph-pyg/cugraph_pyg/__init__.py

@@ -1,4 +1,4 @@
-# Copyright (c) 2019-2023, NVIDIA CORPORATION.
+# Copyright (c) 2019-2024, NVIDIA CORPORATION.
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
 # You may obtain a copy of the License at
@@ -12,3 +12,8 @@
 # limitations under the License.
 
 from cugraph_pyg._version import __git_commit__, __version__
+
+import cugraph_pyg.data
+import cugraph_pyg.loader
+import cugraph_pyg.sampler
+import cugraph_pyg.nn

python/cugraph-pyg/cugraph_pyg/data/graph_store.py

@@ -205,13 +205,18 @@ def _num_vertices(self) -> Dict[str, int]:
                     else edge_attr.size[1]
                 )
             else:
-                if edge_attr.edge_type[0] not in num_vertices:
+                if edge_attr.edge_type[0] != edge_attr.edge_type[2]:
+                    if edge_attr.edge_type[0] not in num_vertices:
+                        num_vertices[edge_attr.edge_type[0]] = int(
+                            self.__edge_indices[edge_attr.edge_type][0].max() + 1
+                        )
+                    if edge_attr.edge_type[2] not in num_vertices:
+                        num_vertices[edge_attr.edge_type[1]] = int(
+                            self.__edge_indices[edge_attr.edge_type][1].max() + 1
+                        )
+                elif edge_attr.edge_type[0] not in num_vertices:
                     num_vertices[edge_attr.edge_type[0]] = int(
-                        self.__edge_indices[edge_attr.edge_type][0].max() + 1
-                    )
-                if edge_attr.edge_type[2] not in num_vertices:
-                    num_vertices[edge_attr.edge_type[1]] = int(
-                        self.__edge_indices[edge_attr.edge_type][1].max() + 1
+                        self.__edge_indices[edge_attr.edge_type].max() + 1
                     )
 
         if self.is_multi_gpu:

python/cugraph-pyg/cugraph_pyg/examples/gcn_dist_mnmg.py

@@ -185,6 +185,8 @@ def run_train(
     wall_clock_start,
     tempdir=None,
     num_layers=3,
+    in_memory=False,
+    seeds_per_call=-1,
 ):
     optimizer = torch.optim.Adam(model.parameters(), lr=0.01, weight_decay=0.0005)
 
@@ -196,20 +198,23 @@ def run_train(
     from cugraph_pyg.loader import NeighborLoader
 
     ix_train = split_idx["train"].cuda()
-    train_path = os.path.join(tempdir, f"train_{global_rank}")
-    os.mkdir(train_path)
+    train_path = None if in_memory else os.path.join(tempdir, f"train_{global_rank}")
+    if train_path:
+        os.mkdir(train_path)
     train_loader = NeighborLoader(
         data,
         input_nodes=ix_train,
         directory=train_path,
         shuffle=True,
         drop_last=True,
+        local_seeds_per_call=seeds_per_call if seeds_per_call > 0 else None,
         **kwargs,
     )
 
     ix_test = split_idx["test"].cuda()
-    test_path = os.path.join(tempdir, f"test_{global_rank}")
-    os.mkdir(test_path)
+    test_path = None if in_memory else os.path.join(tempdir, f"test_{global_rank}")
+    if test_path:
+        os.mkdir(test_path)
     test_loader = NeighborLoader(
         data,
         input_nodes=ix_test,
@@ -221,14 +226,16 @@ def run_train(
     )
 
     ix_valid = split_idx["valid"].cuda()
-    valid_path = os.path.join(tempdir, f"valid_{global_rank}")
-    os.mkdir(valid_path)
+    valid_path = None if in_memory else os.path.join(tempdir, f"valid_{global_rank}")
+    if valid_path:
+        os.mkdir(valid_path)
     valid_loader = NeighborLoader(
         data,
         input_nodes=ix_valid,
         directory=valid_path,
         shuffle=True,
         drop_last=True,
+        local_seeds_per_call=seeds_per_call if seeds_per_call > 0 else None,
         **kwargs,
     )
 
@@ -347,6 +354,9 @@ def parse_args():
     parser.add_argument("--skip_partition", action="store_true")
     parser.add_argument("--wg_mem_type", type=str, default="distributed")
 
+    parser.add_argument("--in_memory", action="store_true", default=False)
+    parser.add_argument("--seeds_per_call", type=int, default=-1)
+
     return parser.parse_args()
 
 
@@ -429,6 +439,8 @@ def parse_args():
                 wall_clock_start,
                 tempdir,
                 args.num_layers,
+                args.in_memory,
+                args.seeds_per_call,
             )
     else:
         warnings.warn("This script should be run with 'torchrun`.  Exiting.")

python/cugraph-pyg/cugraph_pyg/examples/gcn_dist_sg.py

@@ -91,17 +91,28 @@ def test(loader: NeighborLoader, val_steps: Optional[int] = None):
 
 
 def create_loader(
-    data, num_neighbors, input_nodes, replace, batch_size, samples_dir, stage_name
+    data,
+    num_neighbors,
+    input_nodes,
+    replace,
+    batch_size,
+    samples_dir,
+    stage_name,
+    local_seeds_per_call,
 ):
-    directory = os.path.join(samples_dir, stage_name)
-    os.mkdir(directory)
+    if samples_dir is not None:
+        directory = os.path.join(samples_dir, stage_name)
+        os.mkdir(directory)
+    else:
+        directory = None
     return NeighborLoader(
         data,
         num_neighbors=num_neighbors,
         input_nodes=input_nodes,
         replace=replace,
         batch_size=batch_size,
         directory=directory,
+        local_seeds_per_call=local_seeds_per_call,
     )
 
 
@@ -147,6 +158,8 @@ def parse_args():
     parser.add_argument("--tempdir_root", type=str, default=None)
     parser.add_argument("--dataset_root", type=str, default="dataset")
     parser.add_argument("--dataset", type=str, default="ogbn-products")
+    parser.add_argument("--in_memory", action="store_true", default=False)
+    parser.add_argument("--seeds_per_call", type=int, default=-1)
 
     return parser.parse_args()
 
@@ -170,7 +183,10 @@ def parse_args():
             "num_neighbors": [args.fan_out] * args.num_layers,
             "replace": False,
             "batch_size": args.batch_size,
-            "samples_dir": samples_dir,
+            "samples_dir": None if args.in_memory else samples_dir,
+            "local_seeds_per_call": None
+            if args.seeds_per_call <= 0
+            else args.seeds_per_call,
         }
 
         train_loader = create_loader(

python/cugraph-pyg/cugraph_pyg/examples/gcn_dist_snmg.py

@@ -86,6 +86,8 @@ def run_train(
     wall_clock_start,
     tempdir=None,
     num_layers=3,
+    in_memory=False,
+    seeds_per_call=-1,
 ):
 
     init_pytorch_worker(
@@ -119,20 +121,23 @@ def run_train(
     dist.barrier()
 
     ix_train = torch.tensor_split(split_idx["train"], world_size)[rank].cuda()
-    train_path = os.path.join(tempdir, f"train_{rank}")
-    os.mkdir(train_path)
+    train_path = None if in_memory else os.path.join(tempdir, f"train_{rank}")
+    if train_path:
+        os.mkdir(train_path)
     train_loader = NeighborLoader(
         (feature_store, graph_store),
         input_nodes=ix_train,
         directory=train_path,
         shuffle=True,
         drop_last=True,
+        local_seeds_per_call=seeds_per_call if seeds_per_call > 0 else None,
         **kwargs,
     )
 
     ix_test = torch.tensor_split(split_idx["test"], world_size)[rank].cuda()
-    test_path = os.path.join(tempdir, f"test_{rank}")
-    os.mkdir(test_path)
+    test_path = None if in_memory else os.path.join(tempdir, f"test_{rank}")
+    if test_path:
+        os.mkdir(test_path)
     test_loader = NeighborLoader(
         (feature_store, graph_store),
         input_nodes=ix_test,
@@ -144,14 +149,16 @@ def run_train(
     )
 
     ix_valid = torch.tensor_split(split_idx["valid"], world_size)[rank].cuda()
-    valid_path = os.path.join(tempdir, f"valid_{rank}")
-    os.mkdir(valid_path)
+    valid_path = None if in_memory else os.path.join(tempdir, f"valid_{rank}")
+    if valid_path:
+        os.mkdir(valid_path)
     valid_loader = NeighborLoader(
         (feature_store, graph_store),
         input_nodes=ix_valid,
         directory=valid_path,
         shuffle=True,
         drop_last=True,
+        local_seeds_per_call=seeds_per_call if seeds_per_call > 0 else None,
         **kwargs,
     )
 
@@ -269,6 +276,8 @@ def run_train(
         parser.add_argument("--tempdir_root", type=str, default=None)
         parser.add_argument("--dataset_root", type=str, default="dataset")
         parser.add_argument("--dataset", type=str, default="ogbn-products")
+        parser.add_argument("--in_memory", action="store_true", default=False)
+        parser.add_argument("--seeds_per_call", type=int, default=-1)
 
         parser.add_argument(
             "--n_devices",
@@ -322,6 +331,8 @@ def run_train(
                     wall_clock_start,
                     tempdir,
                     args.num_layers,
+                    args.in_memory,
+                    args.seeds_per_call,
                 ),
                 nprocs=world_size,
                 join=True,