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We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…
General-purpose Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental kernel in scientific computing and deep learning. The emergence of new matrix computation units such as Tensor Cores (TCs) brings more opportunities for SpMM…
We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…
Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…
Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…
Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can…
Sparse Matrix-matrix Multiplication (SpMM) and Sampled Dense-dense Matrix Multiplication (SDDMM) are important sparse operators in scientific computing and deep learning. Tensor Core Units (TCUs) enhance modern accelerators with superior…
The problem of solving a system of polynomial equations is one of the most fundamental problems in applied mathematics. Among them, the problem of solving a system of binomial equations form a important subclass for which specialized…
Matricized Tensor Times Khatri-Rao Product (MTTKRP) is the computational bottleneck in sparse tensor decomposition. As real-world sparse tensors grow to billions of nonzeros, they increasingly demand higher memory capacity and compute…
Graphics processors, or GPUs, have recently been widely used as accelerators in the shared environments such as clusters and clouds. In such shared environments, many kernels are submitted to GPUs from different users, and throughput is an…
With the rapid advancement of Artificial Intelligence, the Graphics Processing Unit (GPU) has become increasingly essential across a growing number of safety-critical application domains. Applying a GPU is indispensable for parallel…
Monte Carlo methods are critical to many routines in quantitative finance such as derivatives pricing, hedging and risk metrics. Unfortunately, Monte Carlo methods are very computationally expensive when it comes to running simulations in…
The exponential emergence of Field Programmable Gate Array (FPGA) has accelerated the research of hardware implementation of Deep Neural Network (DNN). Among all DNN processors, domain specific architectures, such as, Google's Tensor…
Graph neural networks (GNNs) have shown significant accuracy improvements in a variety of graph learning domains, sparking considerable research interest. To translate these accuracy improvements into practical applications, it is essential…
Many recent GPUs feature matrix multiplication engines (aka Tensor Core Units or TCUs) that perform small fixed-size matrix-matrix products at very high throughput. They have been used very effectively to speed up dense matrix-matrix…
The exponential growth of floating point power in graphics processing units (GPUs), together with their low cost, has given rise to an attractive platform upon which to deploy lattice QCD calculations. GPUs are essentially many (O(100))…
Modern compute nodes in high-performance computing provide a tremendous level of parallelism and processing power. However, as arithmetic performance has been observed to increase at a faster rate relative to memory and network bandwidths,…
We present our experience of porting the code used in the wave-packet convergent-close-coupling (WP-CCC) approach to run on NVIDIA V100 and AMD MI250X GPUs. The WP-CCC approach is a method used in the field of ion-atom collision physics to…
In a general graph data structure like an adjacency matrix, when edges are homogeneous, the connectivity of two nodes can be sufficiently represented using a single bit. This insight has, however, not yet been adequately exploited by the…
Graph neural networks (GNNs) have gained significant interest for applications such as citation network analysis and drug discovery due to their ability to apply machine learning techniques on graph-structured data. GNNs typically employ a…