Corey Nolet

Hiroyuki Ootomo, Akira Naruse, Corey Nolet et al.

Approximate Nearest Neighbor Search (ANNS) plays a critical role in various disciplines spanning data mining and artificial intelligence, from information retrieval and computer vision to natural language processing and recommender systems. Data volumes have soared in recent years and the computational cost of an exhaustive exact nearest neighbor search is often prohibitive, necessitating the adoption of approximate techniques. The balanced performance and recall of graph-based approaches have more recently garnered significant attention in ANNS algorithms, however, only a few studies have explored harnessing the power of GPUs and multi-core processors despite the widespread use of massively parallel and general-purpose computing. To bridge this gap, we introduce a novel parallel computing hardware-based proximity graph and search algorithm. By leveraging the high-performance capabilities of modern hardware, our approach achieves remarkable efficiency gains. In particular, our method surpasses existing CPU and GPU-based methods in constructing the proximity graph, demonstrating higher throughput in both large- and small-batch searches while maintaining compatible accuracy. In graph construction time, our method, CAGRA, is 2.2~27x faster than HNSW, which is one of the CPU SOTA implementations. In large-batch query throughput in the 90% to 95% recall range, our method is 33~77x faster than HNSW, and is 3.8~8.8x faster than the SOTA implementations for GPU. For a single query, our method is 3.4~53x faster than HNSW at 95% recall.

Corey J. Nolet, Divye Gala, Alex Fender et al.

In this paper, we propose cuSLINK, a novel and state-of-the-art reformulation of the SLINK algorithm on the GPU which requires only $O(Nk)$ space and uses a parameter $k$ to trade off space and time. We also propose a set of novel and reusable building blocks that compose cuSLINK. These building blocks include highly optimized computational patterns for $k$-NN graph construction, spanning trees, and dendrogram cluster extraction. We show how we used our primitives to implement cuSLINK end-to-end on the GPU, further enabling a wide range of real-world data mining and machine learning applications that were once intractable. In addition to being a primary computational bottleneck in the popular HDBSCAN algorithm, the impact of our end-to-end cuSLINK algorithm spans a large range of important applications, including cluster analysis in social and computer networks, natural language processing, and computer vision. Users can obtain cuSLINK at https://docs.rapids.ai/api/cuml/latest/api/#agglomerative-clustering

Corey J. Nolet, Divye Gala, Edward Raff et al.

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. Our implementation is fully open source and publicly available as part of the RAFT library of GPU-accelerated machine learning primitives (https://github.com/rapidsai/raft).

Corey J. Nolet, Victor Lafargue, Edward Raff et al.

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 inefficient 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).

Sebastian Raschka, Joshua Patterson, Corey Nolet

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.