Smarter applications are making better use of the insights gleaned from data, having an impact on every industry and research discipline. At the core of this revolution lies the tools and the methods that are driving it, from processing the massive piles of data generated each day to learning from and taking useful action. Deep neural networks, along with advancements in classical ML and scalable general-purpose GPU computing, have become critical components of artificial intelligence, enabling many of these astounding breakthroughs and lowering the barrier to adoption. Python continues to be the most preferred language for scientific computing, data science, and machine learning, boosting both performance and productivity by enabling the use of low-level libraries and clean high-level APIs. This survey offers insight into the field of machine learning with Python, taking a tour through important topics to identify some of the core hardware and software paradigms that have enabled it. We cover widely-used libraries and concepts, collected together for holistic comparison, with the goal of educating the reader and driving the field of Python machine learning forward.

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Single-cell genomic technologies are rapidly improving our understanding of cellular heterogeneity in biological systems. In recent years, technological and computational improvements have continuously increased the scale of single-cell experiments, and now allow for millions of cells to be analyzed in a single experiment. However, existing software tools for single-cell analysis do not scale well to such large datasets. RAPIDS is an open-source suite of Python libraries that use GPU computing to accelerate data science workflows. Here, we report the use of RAPIDS and GPU computing to accelerate single-cell genomic analysis workflows and present open-source examples that can be reused by the community.

The Uniform Manifold Approximation and Projection (UMAP) algorithm has become widely popular for its ease of use, quality of results, and support for exploratory, unsupervised, supervised, and semi-supervised learning. While many algorithms can be ported to a GPU in a simple and direct fashion, such efforts have resulted in inefficent and inaccurate versions of UMAP. We show a number of techniques that can be used to make a faster and more faithful GPU version of UMAP, and obtain speedups of up to 100x in practice. Many of these design choices/lessons are general purpose and may inform the conversion of other graph and manifold learning algorithms to use GPUs. Our implementation has been made publicly available as part of the open source RAPIDS cuML library (https://github.com/rapidsai/cuml).

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The Uniform Manifold Approximation and Projection (UMAP) algorithm has become widely popular for its ease of use, quality of results, and support for exploratory, unsupervised, supervised, and semi-supervised learning. While many algorithms can be ported to a GPU in a simple and direct fashion, such efforts have resulted in inefficent and inaccurate versions of UMAP. We show a number of techniques that can be used to make a faster and more faithful GPU version of UMAP, and obtain speedups of up to 100x in practice. Many of these design choices/lessons are general purpose and may inform the conversion of other graph and manifold learning algorithms to use GPUs. Our implementation has been made publicly available as part of the open source RAPIDS cuML library (https://github.com/rapidsai/cuml).Preprint. Under review.

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High-performance primitives for mathematical operations on sparse vectors must deal with the challenges of skewed degree distributions and limits on memory consumption that are typically not issues in dense operations. We demonstrate that a sparse semiring primitive can be flexible enough to support a wide range of critical distance measures while maintaining performance and memory efficiency on the GPU. We further show that this primitive is a foundational component for enabling many neighborhood-based information retrieval and machine learning algorithms to accept sparse input. To our knowledge, this is the first work aiming to unify the computation of several critical distance measures on the GPU under a single flexible design paradigm and we hope that it provides a good baseline for future research in this area.