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We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for…

Local search plays a central role in many effective heuristic algorithms for the vehicle routing problem (VRP) and its variants. However, neighborhood exploration is known to be computationally expensive and time consuming, especially for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-30 Zhenyu Lei , Jin-Kao Hao , Qinghua Wu

Optimizing GPU kernels for high performance is a complex task, often demanding deep architectural knowledge, extensive profiling, and iterative experimentation. This challenge is amplified when targeting newer or less-documented GPU…

Machine Learning · Computer Science 2025-08-25 Martin Andrews , Sam Witteveen

Fine-grained workload and resource balancing is the key to high performance for regular and irregular computations on the GPUs. In this dissertation, we conduct an extensive survey of existing load-balancing techniques to build an…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Muhammad Osama

Sparse matricized tensor times Khatri-Rao product (MTTKRP) is one of the most computationally expensive kernels in sparse tensor computations. This work focuses on optimizing the MTTKRP operation on GPUs, addressing both performance and…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-04-09 Israt Nisa , Jiajia Li , Aravind Sukumaran-Rajam , Richard Vuduc , P. Sadayappan

In this paper, we introduce a method for multivariate function approximation using function evaluations, Chebyshev polynomials, and tensor-based compression techniques via the Tucker format. We develop novel randomized techniques to…

Numerical Analysis · Mathematics 2021-07-29 Arvind K. Saibaba , Rachel Minster , Misha E. Kilmer

A brief pedagogical overview of recent advances in tensor network state methods are presented that have the potential to broaden their scope of application radically for strongly correlated molecular systems. These include global fermionic…

Strongly Correlated Electrons · Physics 2025-01-31 Miklós Antal Werner , Andor Menczer , Örs Legeza

In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order…

Convolution is a fundamental operation in many applications, such as computer vision, natural language processing, image processing, etc. Recent successes of convolutional neural networks in various deep learning applications put even…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-31 Xiaoming Chen , Jianxu Chen , Danny Z. Chen , Xiaobo Sharon Hu

In the acceleration of deep neural network training, the GPU has become the mainstream platform. GPUs face substantial challenges on GNNs, such as workload imbalance and memory access irregularities, leading to underutilized hardware.…

Machine Learning · Computer Science 2024-03-20 Hongwu Peng , Xi Xie , Kaustubh Shivdikar , MD Amit Hasan , Jiahui Zhao , Shaoyi Huang , Omer Khan , David Kaeli , Caiwen Ding

The convergence of many numerical optimization techniques is highly dependent on the initial guess given to the solver. To address this issue, we propose a novel approach that utilizes tensor methods to initialize existing optimization…

Robotics · Computer Science 2023-11-23 Suhan Shetty , Teguh Lembono , Tobias Loew , Sylvain Calinon

In this proof-of-concept paper we show that tensor product approach is efficient for control of large quantum systems, such as Heisenberg spin wires, which are essential for emerging quantum computing technologies. We compute optimal…

Numerical Analysis · Mathematics 2019-07-30 Diego Quiñones Valles , Sergey Dolgov , Dmitry Savostyanov

Finite element methods usually construct basis functions and quadrature rules for multidimensional domains via tensor products of one-dimensional counterparts. While straightforward, this approach results in integration spaces larger than…

Numerical Analysis · Mathematics 2026-01-09 Tomas Teijeiro , Pouria Behnoudfar , Jamie M. Taylor , David Pardo , Victor M. Calo

General matrix-matrix multiplication (GEMM) is a cornerstone of AI computations, making tensor processing engines (TPEs) increasingly critical in GPUs and domain-specific architectures. Existing architectures primarily optimize dataflow or…

Hardware Architecture · Computer Science 2025-03-11 Qizhe Wu , Huawen Liang , Yuchen Gui , Zhichen Zeng , Zerong He , Linfeng Tao , Xiaotian Wang , Letian Zhao , Zhaoxi Zeng , Wei Yuan , Wei Wu , Xi Jin

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations…

Machine Learning · Computer Science 2024-11-12 Shengjie Luo , Tianlang Chen , Aditi S. Krishnapriyan

In this paper, we discuss how to efficiently evaluate and assemble general finite element variational forms on H(div) and H(curl). The proposed strategy relies on a decomposition of the element tensor into a precomputable reference tensor…

Numerical Analysis · Mathematics 2012-05-15 Marie Rognes , Robert C. Kirby , Anders Logg

Due to the increasing demand for high performance and cost reduction within the framework of complex system design, numerical optimization of computationally costly problems is an increasingly popular topic in most engineering fields. In…

Optimization and Control · Mathematics 2018-06-12 Julien Pelamatti , Loïc Brevault , Mathieu Balesdent , El-Ghazali Talbi , Yannick Guerin

Topology optimization is computationally demanding that requires the assembly and solution to a finite element problem for each material distribution hypothesis. As a complementary alternative to the traditional physics-based topology…

Machine Learning · Computer Science 2018-08-23 Saurabh Banga , Harsh Gehani , Sanket Bhilare , Sagar Patel , Levent Kara

Beamforming is a well-known technique to combine signals from multiple sensors. It has a wide range of application domains. This paper introduces the Tensor-Core Beamformer: a generic, optimized beamformer library that harnesses the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-07 Leon Oostrum , Bram Veenboer , Ronald Rook , Michael Brown , Pieter Kruizinga , John W. Romein

During the past decade, Deep Learning (DL) algorithms, programming systems and hardware have converged with the High Performance Computing (HPC) counterparts. Nevertheless, the programming methodology of DL and HPC systems is stagnant,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-19 Evangelos Georganas , Dhiraj Kalamkar , Kirill Voronin , Abhisek Kundu , Antonio Noack , Hans Pabst , Alexander Breuer , Alexander Heinecke
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