Related papers: GPU-Native Compressed Neighbor Lists with a Space-…

Space-filling curves (SFC, also known as FASS-curves) are a useful tool in scientific computing and other areas of computer science to sequentialize multidimensional grids in a cache-efficient and parallelization-friendly way for storage in…

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

This paper presents novel approaches to parallelizing particle interactions on a GPU when there are few particles per cell and the interactions are limited by a cutoff distance. The paper surveys classical algorithms and then introduces two…

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest…

K-nearest neighbor search is one of the fundamental tasks in various applications and the hierarchical navigable small world (HNSW) has recently drawn attention in large-scale cloud services, as it easily scales up the database while…

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

Approximate nearest neighbor (ANN) search in high dimensions is an integral part of several computer vision systems and gains importance in deep learning with explicit memory representations. Since PQT, FAISS, and SONG started to leverage…

Approximate Nearest Neighbor Search (ANNS) is a core primitive in modern AI systems, and graph-based methods currently offer the best accuracy-efficiency trade-off at scale. The workload is fundamentally memory-bound: graph traversal…

Computing fixed-radius near-neighbor graphs is an important first step for many data analysis algorithms. Near-neighbor graphs connect points that are close under some metric, endowing point clouds with a combinatorial structure. As…

We introduce FastGraph, a novel GPU-optimized k-nearest neighbor algorithm specifically designed to accelerate graph construction in low-dimensional spaces (2-10 dimensions), critical for high-performance graph neural networks. Our method…

Approximate nearest neighbor search (ANNS) in high-dimensional vector spaces has a wide range of real-world applications. Numerous methods have been proposed to handle ANNS efficiently, while graph-based indexes have gained prominence due…

K Nearest Neighbor (KNN) joins are used in scientific domains for data analysis, and are building blocks of several well-known algorithms. KNN-joins find the KNN of all points in a dataset. This paper focuses on a hybrid CPU/GPU approach…

In this paper we solve on GPUs massive problems with large amount of data, which are not appropriate for solution with the SIMD technology. For the given problem we consider a three-level parallelization. The multithreading of CPU is used…

We present direct astrophysical N-body simulations with up to a few million bodies using our parallel MPI/CUDA code on large GPU clusters in China, Ukraine and Germany, with different kinds of GPU hardware. These clusters are directly…

Approximate Nearest Neighbor Search (ANNS) underpins modern applications such as information retrieval and recommendation. With the rapid growth of vector data, efficient indexing for real-time vector search has become rudimentary. Existing…

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Range-filtered approximate nearest neighbor search (RFANNS) is increasingly critical for modern vector databases. However, existing solutions suffer from severe index inflation and construction overhead. Furthermore, they rely exclusively…

Computational fluid dynamic simulations often produce large clusters of finite elements with non-trivial, non-convex boundaries and uneven distributions among compute nodes, posing challenges to compositing during interactive volume…

We present a novel, GPU-optimized algorithm for particle-mesh interactions in grid-based hydrodynamics simulations, designed for massively parallel architectures. This approach overcomes the inefficiency of particle neighbour searches or…

This paper describes a new fast and implicitly parallel approach to neighbour-finding in multi-resolution Smoothed Particle Hydrodynamics (SPH) simulations. This new approach is based on hierarchical cell decompositions and sorted…