Modify cuvs-bench to be able to generate ground truth in CPU systems

conda/environments/bench_ann_cuda-118_arch-aarch64.yaml

@@ -18,6 +18,8 @@ dependencies:
 - cuda-python>=11.7.1,<12.0a0,<=11.8.3
 - cuda-version=11.8
 - cudatoolkit
+- cupy>=12.0.0
+- cuvs==24.12.*,>=0.0.0a0
 - cxx-compiler
 - cython>=3.0.0
 - dlpack>=0.8,<1.0
@@ -32,6 +34,7 @@ dependencies:
 - libcusolver=11.4.1.48
 - libcusparse-dev=11.7.5.86
 - libcusparse=11.7.5.86
+- libcuvs==24.12.*,>=0.0.0a0
 - librmm==24.12.*,>=0.0.0a0
 - matplotlib
 - nccl>=2.19

conda/environments/bench_ann_cuda-118_arch-x86_64.yaml

@@ -18,6 +18,8 @@ dependencies:
 - cuda-python>=11.7.1,<12.0a0,<=11.8.3
 - cuda-version=11.8
 - cudatoolkit
+- cupy>=12.0.0
+- cuvs==24.12.*,>=0.0.0a0
 - cxx-compiler
 - cython>=3.0.0
 - dlpack>=0.8,<1.0
@@ -32,6 +34,7 @@ dependencies:
 - libcusolver=11.4.1.48
 - libcusparse-dev=11.7.5.86
 - libcusparse=11.7.5.86
+- libcuvs==24.12.*,>=0.0.0a0
 - librmm==24.12.*,>=0.0.0a0
 - matplotlib
 - nccl>=2.19

conda/environments/bench_ann_cuda-125_arch-aarch64.yaml

@@ -19,6 +19,8 @@ dependencies:
 - cuda-profiler-api
 - cuda-python>=12.0,<13.0a0,<=12.6.0
 - cuda-version=12.5
+- cupy>=12.0.0
+- cuvs==24.12.*,>=0.0.0a0
 - cxx-compiler
 - cython>=3.0.0
 - dlpack>=0.8,<1.0
@@ -29,6 +31,7 @@ dependencies:
 - libcurand-dev
 - libcusolver-dev
 - libcusparse-dev
+- libcuvs==24.12.*,>=0.0.0a0
 - librmm==24.12.*,>=0.0.0a0
 - matplotlib
 - nccl>=2.19

conda/environments/bench_ann_cuda-125_arch-x86_64.yaml

@@ -19,6 +19,8 @@ dependencies:
 - cuda-profiler-api
 - cuda-python>=12.0,<13.0a0,<=12.6.0
 - cuda-version=12.5
+- cupy>=12.0.0
+- cuvs==24.12.*,>=0.0.0a0
 - cxx-compiler
 - cython>=3.0.0
 - dlpack>=0.8,<1.0
@@ -29,6 +31,7 @@ dependencies:
 - libcurand-dev
 - libcusolver-dev
 - libcusparse-dev
+- libcuvs==24.12.*,>=0.0.0a0
 - librmm==24.12.*,>=0.0.0a0
 - matplotlib
 - nccl>=2.19

conda/recipes/cuvs-bench-cpu/meta.yaml

@@ -59,6 +59,7 @@ requirements:
     - glog {{ glog_version }}
     - h5py {{ h5py_version }}
     - matplotlib
+    - numpy >=1.23,<3.0a0
     - pandas
     - pyyaml
     - python

conda/recipes/cuvs-bench/meta.yaml

@@ -88,10 +88,11 @@ requirements:
     - cudatoolkit
     {% else %}
     - cuda-cudart
+    - cupy>=12.0.0
     - libcublas
     {% endif %}
     - glog {{ glog_version }}
-    - libcuvs {{ version }}
+    - cuvs {{ version }}
     - h5py {{ h5py_version }}
     - matplotlib
     - pandas

dependencies.yaml

@@ -39,6 +39,7 @@ files:
       - bench
       - bench_python
       - rapids_build_setuptools
+      - cupy
   test_cpp:
     output: none
     includes:
@@ -475,11 +476,13 @@ dependencies:
           - h5py>=3.8.0
           - benchmark>=1.8.2
           - openblas
+          - libcuvs==24.12.*,>=0.0.0a0
   bench_python:
     common:
       - output_types: [conda, pyproject, requirements]
         packages:
           - click
+          - cuvs==24.12.*,>=0.0.0a0
           - matplotlib
           - pandas
           - pyyaml

python/cuvs_bench/cuvs_bench/generate_groundtruth/__main__.py

@@ -15,82 +15,222 @@
 # limitations under the License.
 #
 import argparse
+import importlib
 import os
 import sys
+import warnings
 
-import cupy as cp
-import numpy as np
-import rmm
-from pylibraft.common import DeviceResources
-from rmm.allocators.cupy import rmm_cupy_allocator
+from .utils import memmap_bin_file, suffix_from_dtype, write_bin
 
-from cuvs.neighbors.brute_force import build, search
 
-from .utils import memmap_bin_file, suffix_from_dtype, write_bin
+def import_with_fallback(primary_lib, secondary_lib=None, alias=None):
+    """
+    Attempt to import a primary library, with an optional fallback to a
+    secondary library.
+    Optionally assigns the imported module to a global alias.
+
+    Parameters
+    ----------
+    primary_lib : str
+        Name of the primary library to import.
+    secondary_lib : str, optional
+        Name of the secondary library to use as a fallback. If `None`,
+        no fallback is attempted.
+    alias : str, optional
+        Alias to assign the imported module globally.
+
+    Returns
+    -------
+    module or None
+        The imported module if successful; otherwise, `None`.
+
+    Examples
+    --------
+    >>> xp = import_with_fallback('cupy', 'numpy')
+    >>> mod = import_with_fallback('nonexistent_lib')
+    >>> if mod is None:
+    ...     print("Library not found.")
+    """
+    try:
+        module = importlib.import_module(primary_lib)
+    except ImportError:
+        if secondary_lib is not None:
+            try:
+                module = importlib.import_module(secondary_lib)
+            except ImportError:
+                module = None
+        else:
+            module = None
+    if alias and module is not None:
+        globals()[alias] = module
+    return module
+
+
+xp = import_with_fallback("cupy", "numpy")
+rmm = import_with_fallback("rmm")
+gpu_system = False
+
 
+def force_fallback_to_numpy():
+    global xp, gpu_system
+    xp = import_with_fallback("numpy")
+    gpu_system = False
+    warnings.warn(
+        "Consider using a GPU-based system to greatly accelerate "
+        " generating groundtruths using cuVS."
+    )
+
+
+if rmm is not None:
+    gpu_system = True
+    try:
+        from pylibraft.common import DeviceResources
+        from rmm.allocators.cupy import rmm_cupy_allocator
 
-def generate_random_queries(n_queries, n_features, dtype=np.float32):
+        from cuvs.neighbors.brute_force import build, search
+    except ImportError:
+        # RMM is available, cupy is available, but cuVS is not
+        force_fallback_to_numpy()
+else:
+    # No RMM, no cuVS, but cupy is available
+    force_fallback_to_numpy()
+
+
+def generate_random_queries(n_queries, n_features, dtype=xp.float32):
     print("Generating random queries")
-    if np.issubdtype(dtype, np.integer):
-        queries = cp.random.randint(
+    if xp.issubdtype(dtype, xp.integer):
+        queries = xp.random.randint(
             0, 255, size=(n_queries, n_features), dtype=dtype
         )
     else:
-        queries = cp.random.uniform(size=(n_queries, n_features)).astype(dtype)
+        queries = xp.random.uniform(size=(n_queries, n_features)).astype(dtype)
     return queries
 
 
 def choose_random_queries(dataset, n_queries):
     print("Choosing random vector from dataset as query vectors")
-    query_idx = np.random.choice(
+    query_idx = xp.random.choice(
         dataset.shape[0], size=(n_queries,), replace=False
     )
     return dataset[query_idx, :]
 
 
+def cpu_search(dataset, queries, k, metric="squeclidean"):
+    """
+    Find the k nearest neighbors for each query point in the dataset using the
+    specified metric.
+
+    Parameters
+    ----------
+    dataset : numpy.ndarray
+        An array of shape (n_samples, n_features) representing the dataset.
+    queries : numpy.ndarray
+        An array of shape (n_queries, n_features) representing the query
+        points.
+    k : int
+        The number of nearest neighbors to find.
+    metric : str, optional
+        The distance metric to use. Can be 'squeclidean' or 'inner_product'.
+        Default is 'squeclidean'.
+
+    Returns
+    -------
+    distances : numpy.ndarray
+        An array of shape (n_queries, k) containing the distances
+        (for 'squeclidean') or similarities
+        (for 'inner_product') to the k nearest neighbors for each query.
+    indices : numpy.ndarray
+        An array of shape (n_queries, k) containing the indices of the
+        k nearest neighbors in the dataset for each query.
+
+    """
+    if metric == "squeclidean":
+        diff = queries[:, xp.newaxis, :] - dataset[xp.newaxis, :, :]
+        dist_sq = xp.sum(diff**2, axis=2)  # Shape: (n_queries, n_samples)
+
+        indices = xp.argpartition(dist_sq, kth=k - 1, axis=1)[:, :k]
+        distances = xp.take_along_axis(dist_sq, indices, axis=1)
+
+        sorted_idx = xp.argsort(distances, axis=1)
+        distances = xp.take_along_axis(distances, sorted_idx, axis=1)
+        indices = xp.take_along_axis(indices, sorted_idx, axis=1)
+
+    elif metric == "inner_product":
+        similarities = xp.dot(
+            queries, dataset.T
+        )  # Shape: (n_queries, n_samples)
+
+        neg_similarities = -similarities
+        indices = xp.argpartition(neg_similarities, kth=k - 1, axis=1)[:, :k]
+        distances = xp.take_along_axis(similarities, indices, axis=1)
+
+        sorted_idx = xp.argsort(-distances, axis=1)
+
+    else:
+        raise ValueError(
+            "Unsupported metric in cuvs-bench-cpu. "
+            "Use 'squeclidean' or 'inner_product' or use the GPU package"
+            "to use any distance supported by cuVS."
+        )
+
+    distances = xp.take_along_axis(distances, sorted_idx, axis=1)
+    indices = xp.take_along_axis(indices, sorted_idx, axis=1)
+
+    return distances, indices
+
+
 def calc_truth(dataset, queries, k, metric="sqeuclidean"):
-    resources = DeviceResources()
     n_samples = dataset.shape[0]
     n = 500000  # batch size for processing neighbors
     i = 0
     indices = None
     distances = None
-    queries = cp.asarray(queries, dtype=cp.float32)
+    queries = xp.asarray(queries, dtype=xp.float32)
+
+    if gpu_system:
+        resources = DeviceResources()
 
     while i < n_samples:
         print("Step {0}/{1}:".format(i // n, n_samples // n))
         n_batch = n if i + n <= n_samples else n_samples - i
 
-        X = cp.asarray(dataset[i : i + n_batch, :], cp.float32)
+        X = xp.asarray(dataset[i : i + n_batch, :], xp.float32)
 
-        index = build(X, metric=metric, resources=resources)
-        D, Ind = search(index, queries, k, resources=resources)
-        resources.sync()
+        if gpu_system:
+            index = build(X, metric=metric, resources=resources)
+            D, Ind = search(index, queries, k, resources=resources)
+            resources.sync()
+        else:
+            D, Ind = cpu_search(X, queries, metric=metric)
 
-        D, Ind = cp.asarray(D), cp.asarray(Ind)
+        D, Ind = xp.asarray(D), xp.asarray(Ind)
         Ind += i  # shift neighbor index by offset i
 
         if distances is None:
             distances = D
             indices = Ind
         else:
-            distances = cp.concatenate([distances, D], axis=1)
-            indices = cp.concatenate([indices, Ind], axis=1)
-            idx = cp.argsort(distances, axis=1)[:, :k]
-            distances = cp.take_along_axis(distances, idx, axis=1)
-            indices = cp.take_along_axis(indices, idx, axis=1)
+            distances = xp.concatenate([distances, D], axis=1)
+            indices = xp.concatenate([indices, Ind], axis=1)
+            idx = xp.argsort(distances, axis=1)[:, :k]
+            distances = xp.take_along_axis(distances, idx, axis=1)
+            indices = xp.take_along_axis(indices, idx, axis=1)
 
         i += n_batch
 
     return distances, indices
 
 
 def main():
-    pool = rmm.mr.PoolMemoryResource(
-        rmm.mr.CudaMemoryResource(), initial_pool_size=2**30
-    )
-    rmm.mr.set_current_device_resource(pool)
-    cp.cuda.set_allocator(rmm_cupy_allocator)
+    if gpu_system and xp.__name__ == "cupy":
+        pool = rmm.mr.PoolMemoryResource(
+            rmm.mr.CudaMemoryResource(), initial_pool_size=2**30
+        )
+        rmm.mr.set_current_device_resource(pool)
+        xp.cuda.set_allocator(rmm_cupy_allocator)
+    else:
+        # RMM is available, but cupy is not
+        force_fallback_to_numpy()
 
     parser = argparse.ArgumentParser(
         prog="generate_groundtruth",
@@ -197,7 +337,7 @@ def main():
         "Dataset size {:6.1f} GB, shape {}, dtype {}".format(
             dataset.size * dataset.dtype.itemsize / 1e9,
             dataset.shape,
-            np.dtype(dtype),
+            xp.dtype(dtype),
         )
     )
 
@@ -230,11 +370,11 @@ def main():
 
     write_bin(
         os.path.join(args.output, "groundtruth.neighbors.ibin"),
-        indices.astype(np.uint32),
+        indices.astype(xp.uint32),
     )
     write_bin(
         os.path.join(args.output, "groundtruth.distances.fbin"),
-        distances.astype(np.float32),
+        distances.astype(xp.float32),
     )