Merge remote-tracking branch 'upstream/branch-24.02' into branch-24.0…

…2_enable-drop-duplicates

.github/workflows/build.yaml

@@ -173,3 +173,22 @@ jobs:
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: cugraph-pyg
+  wheel-build-cugraph-equivariant:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      script: ci/build_wheel_cugraph-equivariant.sh
+  wheel-publish-cugraph-equivariant:
+    needs: wheel-build-cugraph-equivariant
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      package-name: cugraph-equivariant

.github/workflows/pr.yaml

@@ -29,6 +29,8 @@ jobs:
       - wheel-tests-cugraph-dgl
       - wheel-build-cugraph-pyg
       - wheel-tests-cugraph-pyg
+      - wheel-build-cugraph-equivariant
+      - wheel-tests-cugraph-equivariant
       - devcontainer
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]
@@ -161,6 +163,20 @@ jobs:
       build_type: pull-request
       script: ci/test_wheel_cugraph-pyg.sh
       matrix_filter: map(select(.ARCH == "amd64" and .CUDA_VER == "11.8.0"))
+  wheel-build-cugraph-equivariant:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/build_wheel_cugraph-equivariant.sh
+  wheel-tests-cugraph-equivariant:
+    needs: wheel-build-cugraph-equivariant
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/test_wheel_cugraph-equivariant.sh
+      matrix_filter: map(select(.ARCH == "amd64"))
   devcontainer:
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]

.github/workflows/test.yaml

@@ -75,3 +75,12 @@ jobs:
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
       script: ci/test_wheel_cugraph-pyg.sh
+  wheel-tests-cugraph-equivariant:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: nightly
+      branch: ${{ inputs.branch }}
+      date: ${{ inputs.date }}
+      sha: ${{ inputs.sha }}
+      script: ci/test_wheel_cugraph-equivariant.sh

build.sh

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-# Copyright (c) 2019-2023, NVIDIA CORPORATION.
+# Copyright (c) 2019-2024, NVIDIA CORPORATION.
 
 # cugraph build script
 
@@ -31,6 +31,7 @@ VALIDARGS="
    cugraph-service
    cugraph-pyg
    cugraph-dgl
+   cugraph-equivariant
    nx-cugraph
    cpp-mgtests
    cpp-mtmgtests
@@ -60,6 +61,7 @@ HELP="$0 [<target> ...] [<flag> ...]
    cugraph-service            - build the cugraph-service_client and cugraph-service_server Python package
    cugraph-pyg                - build the cugraph-pyg Python package
    cugraph-dgl                - build the cugraph-dgl extensions for DGL
+   cugraph-equivariant        - build the cugraph-equivariant Python package
    nx-cugraph                 - build the nx-cugraph Python package
    cpp-mgtests                - build libcugraph and libcugraph_etl MG tests. Builds MPI communicator, adding MPI as a dependency.
    cpp-mtmgtests              - build libcugraph MTMG tests. Adds UCX as a dependency (temporary).
@@ -222,7 +224,7 @@ if hasArg uninstall; then
     # removes the latest one and leaves the others installed. build.sh uninstall
     # can be run multiple times to remove all of them, but that is not obvious.
     pip uninstall -y pylibcugraph cugraph cugraph-service-client cugraph-service-server \
-        cugraph-dgl cugraph-pyg nx-cugraph
+        cugraph-dgl cugraph-pyg cugraph-equivariant nx-cugraph
 fi
 
 if hasArg clean; then
@@ -359,6 +361,15 @@ if hasArg cugraph-dgl || hasArg all; then
     fi
 fi
 
+# Build and install the cugraph-equivariant Python package
+if hasArg cugraph-equivariant || hasArg all; then
+    if hasArg --clean; then
+        cleanPythonDir ${REPODIR}/python/cugraph-equivariant
+    else
+        python ${PYTHON_ARGS_FOR_INSTALL} ${REPODIR}/python/cugraph-equivariant
+    fi
+fi
+
 # Build and install the nx-cugraph Python package
 if hasArg nx-cugraph || hasArg all; then
     if hasArg --clean; then

ci/build_python.sh

@@ -89,4 +89,9 @@ if [[ ${RAPIDS_CUDA_MAJOR} == "11" ]]; then
     conda/recipes/cugraph-dgl
 fi
 
+rapids-conda-retry mambabuild \
+  --no-test \
+  --channel "${RAPIDS_CONDA_BLD_OUTPUT_DIR}" \
+  conda/recipes/cugraph-equivariant
+
 rapids-upload-conda-to-s3 python

ci/build_wheel.sh

@@ -57,7 +57,8 @@ python -m pip wheel . -w dist -vvv --no-deps --disable-pip-version-check
 # pure-python packages should not have auditwheel run on them.
 if [[ ${package_name} == "nx-cugraph" ]] || \
    [[ ${package_name} == "cugraph-dgl" ]] || \
-   [[ ${package_name} == "cugraph-pyg" ]]; then
+   [[ ${package_name} == "cugraph-pyg" ]] || \
+   [[ ${package_name} == "cugraph-equivariant" ]]; then
     RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 dist
 else
     mkdir -p final_dist

ci/build_wheel_cugraph-equivariant.sh

@@ -0,0 +1,6 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -euo pipefail
+
+./ci/build_wheel.sh cugraph-equivariant python/cugraph-equivariant

ci/test_python.sh

@@ -247,5 +247,46 @@ else
   rapids-logger "skipping cugraph_pyg pytest on CUDA != 11.8"
 fi
 
+# test cugraph-equivariant
+if [[ "${RAPIDS_CUDA_VERSION}" == "11.8.0" ]]; then
+  if [[ "${RUNNER_ARCH}" != "ARM64" ]]; then
+    # Reuse cugraph-dgl's test env for cugraph-equivariant
+    set +u
+    conda activate test_cugraph_dgl
+    set -u
+    rapids-mamba-retry install \
+      --channel "${CPP_CHANNEL}" \
+      --channel "${PYTHON_CHANNEL}" \
+      --channel pytorch \
+      --channel nvidia \
+      cugraph-equivariant
+    pip install e3nn==0.5.1
+
+    rapids-print-env
+
+    rapids-logger "pytest cugraph-equivariant"
+    pushd python/cugraph-equivariant/cugraph_equivariant
+    pytest \
+      --cache-clear \
+      --junitxml="${RAPIDS_TESTS_DIR}/junit-cugraph-equivariant.xml" \
+      --cov-config=../../.coveragerc \
+      --cov=cugraph_equivariant \
+      --cov-report=xml:"${RAPIDS_COVERAGE_DIR}/cugraph-equivariant-coverage.xml" \
+      --cov-report=term \
+      .
+    popd
+
+    # Reactivate the test environment back
+    set +u
+    conda deactivate
+    conda activate test
+    set -u
+  else
+    rapids-logger "skipping cugraph-equivariant pytest on ARM64"
+  fi
+else
+  rapids-logger "skipping cugraph-equivariant pytest on CUDA!=11.8"
+fi
+
 rapids-logger "Test script exiting with value: $EXITCODE"
 exit ${EXITCODE}

ci/test_wheel_cugraph-equivariant.sh

@@ -0,0 +1,33 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -eoxu pipefail
+
+package_name="cugraph-equivariant"
+package_dir="python/cugraph-equivariant"
+
+python_package_name=$(echo ${package_name}|sed 's/-/_/g')
+
+mkdir -p ./dist
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+# use 'ls' to expand wildcard before adding `[extra]` requires for pip
+RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-s3 ./dist
+# pip creates wheels using python package names
+python -m pip install $(ls ./dist/${python_package_name}*.whl)[test]
+
+
+PKG_CUDA_VER="$(echo ${CUDA_VERSION} | cut -d '.' -f1,2 | tr -d '.')"
+PKG_CUDA_VER_MAJOR=${PKG_CUDA_VER:0:2}
+if [[ "${PKG_CUDA_VER_MAJOR}" == "12" ]]; then
+  PYTORCH_CUDA_VER="121"
+else
+  PYTORCH_CUDA_VER=$PKG_CUDA_VER
+fi
+PYTORCH_URL="https://download.pytorch.org/whl/cu${PYTORCH_CUDA_VER}"
+
+rapids-logger "Installing PyTorch and e3nn"
+rapids-retry python -m pip install torch --index-url ${PYTORCH_URL}
+rapids-retry python -m pip install e3nn
+
+python -m pytest python/cugraph-equivariant/cugraph_equivariant/tests

conda/recipes/cugraph-equivariant/build.sh

@@ -0,0 +1,7 @@
+#!/usr/bin/env bash
+
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+# This assumes the script is executed from the root of the repo directory
+
+./build.sh cugraph-equivariant

conda/recipes/cugraph-equivariant/meta.yaml

@@ -0,0 +1,37 @@
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+{% set version = environ['RAPIDS_PACKAGE_VERSION'].lstrip('v') + environ.get('VERSION_SUFFIX', '') %}
+{% set minor_version = version.split('.')[0] + '.' + version.split('.')[1] %}
+{% set py_version = environ['CONDA_PY'] %}
+{% set date_string = environ['RAPIDS_DATE_STRING'] %}
+
+package:
+  name: cugraph-equivariant
+  version: {{ version }}
+
+source:
+  path: ../../..
+
+build:
+  number: {{ GIT_DESCRIBE_NUMBER }}
+  build:
+      number: {{ GIT_DESCRIBE_NUMBER }}
+      string: py{{ py_version }}_{{ date_string }}_{{ GIT_DESCRIBE_HASH }}_{{ GIT_DESCRIBE_NUMBER }}
+
+requirements:
+  host:
+    - python
+  run:
+    - pylibcugraphops ={{ minor_version }}
+    - python
+
+tests:
+  imports:
+    - cugraph_equivariant
+
+about:
+  home: https://rapids.ai/
+  dev_url: https://github.com/rapidsai/cugraph
+  license: Apache-2.0
+  license_file: ../../../LICENSE
+  summary: GPU-accelerated equivariant convolutional layers.

cpp/include/cugraph/edge_partition_device_view.cuh

@@ -1,5 +1,5 @@
 /*
- * Copyright (c) 2020-2023, NVIDIA CORPORATION.
+ * Copyright (c) 2020-2024, NVIDIA CORPORATION.
  *
  * Licensed under the Apache License, Version 2.0 (the "License");
  * you may not use this file except in compliance with the License.
@@ -298,6 +298,20 @@ class edge_partition_device_view_t<vertex_t, edge_t, multi_gpu, std::enable_if_t
     return major_range_first_ + major_offset;
   }
 
+  __device__ thrust::optional<vertex_t> major_idx_from_major_nocheck(vertex_t major) const noexcept
+  {
+    if (major_hypersparse_first_ && (major >= *major_hypersparse_first_)) {
+      auto major_hypersparse_idx =
+        detail::major_hypersparse_idx_from_major_nocheck_impl(*dcs_nzd_vertices_, major);
+      return major_hypersparse_idx
+               ? thrust::make_optional((*major_hypersparse_first_ - major_range_first_) +
+                                       *major_hypersparse_idx)
+               : thrust::nullopt;
+    } else {
+      return major - major_range_first_;
+    }
+  }
+
   __device__ vertex_t major_from_major_idx_nocheck(vertex_t major_idx) const noexcept
   {
     if (major_hypersparse_first_) {
@@ -339,6 +353,7 @@ class edge_partition_device_view_t<vertex_t, edge_t, multi_gpu, std::enable_if_t
     return dcs_nzd_vertices_ ? thrust::optional<vertex_t const*>{(*dcs_nzd_vertices_).data()}
                              : thrust::nullopt;
   }
+
   __host__ __device__ thrust::optional<vertex_t> dcs_nzd_vertex_count() const
   {
     return dcs_nzd_vertices_
@@ -460,6 +475,11 @@ class edge_partition_device_view_t<vertex_t, edge_t, multi_gpu, std::enable_if_t
     return major_offset;
   }
 
+  __device__ thrust::optional<vertex_t> major_idx_from_major_nocheck(vertex_t major) const noexcept
+  {
+    return major_offset_from_major_nocheck(major);
+  }
+
   __device__ vertex_t major_from_major_idx_nocheck(vertex_t major_idx) const noexcept
   {
     return major_from_major_offset_nocheck(major_idx);

cpp/include/cugraph/graph_view.hpp

@@ -1,5 +1,5 @@
 /*
- * Copyright (c) 2020-2023, NVIDIA CORPORATION.
+ * Copyright (c) 2020-2024, NVIDIA CORPORATION.
  *
  * Licensed under the Apache License, Version 2.0 (the "License");
  * you may not use this file except in compliance with the License.
@@ -631,6 +631,19 @@ class graph_view_t<vertex_t, edge_t, store_transposed, multi_gpu, std::enable_if
   edge_t count_self_loops(raft::handle_t const& handle) const;
   edge_t count_multi_edges(raft::handle_t const& handle) const;
 
+  rmm::device_uvector<bool> has_edge(raft::handle_t const& handle,
+                                     /* (edge_srcs, edge_dsts) should be pre-shuffled */
+                                     raft::device_span<vertex_t const> edge_srcs,
+                                     raft::device_span<vertex_t const> edge_dsts,
+                                     bool do_expensive_check = false);
+
+  rmm::device_uvector<edge_t> compute_multiplicity(
+    raft::handle_t const& handle,
+    /* (edge_srcs, edge_dsts) should be pre-shuffled */
+    raft::device_span<vertex_t const> edge_srcs,
+    raft::device_span<vertex_t const> edge_dsts,
+    bool do_expensive_check = false);
+
   template <bool transposed = is_storage_transposed>
   std::enable_if_t<transposed, std::optional<raft::device_span<vertex_t const>>>
   local_sorted_unique_edge_srcs() const
@@ -928,6 +941,16 @@ class graph_view_t<vertex_t, edge_t, store_transposed, multi_gpu, std::enable_if
   edge_t count_self_loops(raft::handle_t const& handle) const;
   edge_t count_multi_edges(raft::handle_t const& handle) const;
 
+  rmm::device_uvector<bool> has_edge(raft::handle_t const& handle,
+                                     raft::device_span<vertex_t const> edge_srcs,
+                                     raft::device_span<vertex_t const> edge_dsts,
+                                     bool do_expensive_check = false);
+
+  rmm::device_uvector<edge_t> compute_multiplicity(raft::handle_t const& handle,
+                                                   raft::device_span<vertex_t const> edge_srcs,
+                                                   raft::device_span<vertex_t const> edge_dsts,
+                                                   bool do_expensive_check = false);
+
   template <bool transposed = is_storage_transposed>
   std::enable_if_t<transposed, std::optional<raft::device_span<vertex_t const>>>
   local_sorted_unique_edge_srcs() const

cpp/src/centrality/eigenvector_centrality_impl.cuh

@@ -1,5 +1,5 @@
 /*
- * Copyright (c) 2022-2023, NVIDIA CORPORATION.
+ * Copyright (c) 2022-2024, NVIDIA CORPORATION.
  *
  * Licensed under the Apache License, Version 2.0 (the "License");
  * you may not use this file except in compliance with the License.
@@ -117,7 +117,7 @@ rmm::device_uvector<weight_t> eigenvector_centrality(
         edge_src_centralities.view(),
         edge_dst_dummy_property_t{}.view(),
         edge_dummy_property_t{}.view(),
-        [] __device__(vertex_t, vertex_t, auto src_val, auto, auto) { return src_val * 1.0; },
+        [] __device__(vertex_t, vertex_t, auto src_val, auto, auto) { return src_val; },
         weight_t{0},
         reduce_op::plus<weight_t>{},
         centralities.begin());

cpp/src/link_analysis/pagerank_impl.cuh

@@ -1,5 +1,5 @@
 /*
- * Copyright (c) 2020-2023, NVIDIA CORPORATION.
+ * Copyright (c) 2020-2024, NVIDIA CORPORATION.
  *
  * Licensed under the Apache License, Version 2.0 (the "License");
  * you may not use this file except in compliance with the License.
@@ -288,7 +288,7 @@ centrality_algorithm_metadata_t pagerank(
         edge_dst_dummy_property_t{}.view(),
         edge_dummy_property_t{}.view(),
         [alpha] __device__(vertex_t, vertex_t, auto src_val, auto, auto) {
-          return src_val * 1.0 * alpha;
+          return src_val * alpha;
         },
         unvarying_part,
         reduce_op::plus<result_t>{},