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GPU-boosted implementation of PhenoGraph #22

@eburling

Description

@eburling

I'm writing to share my GPU-boosted implementation of PhenoGraph. Instead of using the CPU-bound libraries numpy, scipy.sparse, and sklearn as in the legacy implementation, I use the GPU-bound libraries cupy, cupyx.sparse, and cudf/cuml from NVIDIA's RAPIDS library to reduce execution time by orders of magnitude for large datasets. For especially large datasets or dataset compilations (~3 million cells x 50 features), the kNN search can be distributed to multiple GPUs, if they are available. For a synthetic dataset of 1 million cells x 30 features, the CPU implementation executes in ~6 hours, whereas the GPU implementation run on a single V100 GPU executes in ~40 seconds (~500-fold speed-up):

benchmark

Modularity is comparable between GPU and CPU implementations:

tsne

Please feel free to link to the repo if interested: https://gitlab.com/eburling/grapheno

Thanks and sorry for the spam! I hope the community finds it useful.

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