TorchPQ is a python library for Approximate Nearest Neighbor Search (ANNS) and Maximum Inner Product Search (MIPS) on GPU using Product Quantization (PQ) algorithm. TorchPQ is implemented mainly with PyTorch, with some extra CUDA kernels to accelerate clustering, indexing and searching.
- make sure you have the latest version of PyTorch installed: https://pytorch.org/get-started/locally/
- install a version of CuPy library that matches your CUDA version
pip install cupy-cuda90 pip install cupy-cuda100 pip install cupy-cuda101 ...
for a full list of cupy-cuda versions, please go to Installation Guide
- install TorchPQ
pip install torchpq
InVerted File Product Quantization (IVFPQ) is a type of ANN search algorithm that is designed to do fast and efficient vector search in million, or even billion scale vector sets. check the original paper for more details.
from torchpq.index import IVFPQIndex import torch n_data = 1000000 # number of data points d_vector = 128 # dimentionality / number of features index = IVFPQIndex( d_vector=d_vector, n_subvectors=64, n_cells=1024, blocksize=128, init_size=2048, distance="euclidean", ) trainset = torch.randn(d_vector, n_data, device="cuda:0") index.train(trainset)
There are some important parameters that need to be explained:
- d_vector: dimentionality of input vectors. there are 2 constraints on
d_vector: (1) it needs to be divisible by
n_subvectors; (2) it needs to be a multiple of 4.*
- n_subvectors: number of subquantizers, essentially this is the byte size of each quantized vector, 64 byte per vector in the above example.**
- n_cells: number of coarse quantizer clusters
- init_size: initial capacity assigned to each voronoi cell of coarse quantizer.
n_cells * init_sizeis the number of vectors that can be stored initially. if any cell has reached its capacity, that cell will be automatically expanded.
If you need to add vectors frequently, a larger value for
Remember that the shape of any tensor that contains data points has to be
* the second constraint could be removed in the future
** actual byte size would be (n_subvectors+9) bytes, 8 bytes for ID and 1 byte for is_empty
Adding new vectors
baseset = torch.randn(d_vector, n_data, device="cuda:0") ids = torch.arange(n_data, device="cuda") index.add(baseset, ids=ids)
Each ID in
ids needs to be a unique int64 (
torch.long) value that identifies a vector in
ids is not provided, it will be set to
torch.arange(n_data, device="cuda") + previous_max_id
index.remove(ids=ids) will virtually remove vectors with specified
ids from storage.
It ignores ids that doesn't exist.
index.n_probe = 32 n_query = 10000 queryset = torch.randn(d_vector, n_query, device="cuda:0") topk_values, topk_ids = index.topk(queryset, k=100)
topk_valuesare inner product of queries and topk closest data points.
topk_valuesare negative squared L2 distance between queries and topk closest data points.
topk_valuesare negative L1 distance between queries and topk closest data points.
topk_valuesare cosine similarity between queries and topk closest data points.
Encode and Decode
you can use IVFPQ as a vector codec for lossy compression of vectors
code = index.encode(queryset) # compression reconstruction = index.decode(code) # reconstruction
Save and Load
Most of the TorchPQ modules are inherited from
torch.nn.Module, this means you can save and load them just like a regular pytorch model.
# Save to PATH torch.save(index.state_dict(), PATH) # Load from PATH index.load_state_dict(torch.load(PATH))
from torchpq.clustering import KMeans import torch n_data = 1000000 # number of data points d_vector = 128 # dimentionality / number of features x = torch.randn(d_vector, n_data, device="cuda") kmeans = KMeans(n_clusters=4096, distance="euclidean") labels = kmeans.fit(x)
Notice that the shape of the tensor that contains data points has to be
[d_vector, n_data], this is consistant in TorchPQ.
Multiple concurrent K-means
Sometimes, we have multiple independent datasets that need to be clustered,
instead of running multiple KMeans sequentianlly,
we can perform multiple kmeans concurrently with MultiKMeans
from torchpq.kmeans import MultiKMeans import torch n_data = 1000000 n_kmeans = 16 d_vector = 64 x = torch.randn(n_kmeans, d_vector, n_data, device="cuda") kmeans = MultiKMeans(n_clusters=256, distance="euclidean") labels = kmeans.fit(x)
Prediction with K-means
labels = kmeans.predict(x)