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This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

Recent advancements in 3D Gaussian Splatting (3DGS) have made a significant impact on rendering and reconstruction techniques. Current research predominantly focuses on improving rendering performance and reconstruction quality using…

Computer Vision and Pattern Recognition · Computer Science 2025-09-18 Yinlong Bai , Hongxin Zhang , Sheng Zhong , Junkai Niu , Hai Li , Yijia He , Yi Zhou

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.…

Machine Learning · Computer Science 2022-04-12 Anuroop Sriram , Abhishek Das , Brandon M. Wood , Siddharth Goyal , C. Lawrence Zitnick

The increasing scale and complexity of integrated circuit design have led to increased challenges in Electronic Design Automation (EDA). Graph Neural Networks (GNNs) have emerged as a promising approach to assist EDA design as circuits can…

Machine Learning · Computer Science 2025-08-26 Yuebo Luo , Shiyang Li , Junran Tao , Kiran Thorat , Xi Xie , Hongwu Peng , Nuo Xu , Caiwen Ding , Shaoyi Huang

The reliability of cardiovascular computational models depends on the accurate solution of the hemodynamics, the realistic characterization of the hyperelastic and electric properties of the tissues along with the correct description of…

This dissertation presents the design, implementation and evaluation of GPU-accelerated simulation frameworks for Evolutionary Spatial Cyclic Games (ESCGs), a class of agent-based models used to study ecological and evolutionary dynamics.…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-26 Louie Sinadjan

Conventional GPU implementations of Strassen's algorithm (Strassen) typically rely on the existing high-performance matrix multiplication (GEMM), trading space for time. As a result, such approaches can only achieve practical speedup for…

Mathematical Software · Computer Science 2018-08-27 Jianyu Huang , Chenhan D. Yu , Robert A. van de Geijn

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…

Fluid Dynamics · Physics 2024-03-01 Min Zhang , Runze Mao , Han Li , Zhenhua An , Zhi X. Chen

Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty…

Current trends in the computer graphics community propose leveraging the massive parallel computational power of GPUs to accelerate physically based simulations. Collision detection and solving is a fundamental part of this process. It is…

Graphics · Computer Science 2021-10-06 Hugo Bertiche , Meysam Madadi , Sergio Escalera

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…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

Computational Physics · Physics 2013-03-06 R. D. Schram

Reinforcement learning has demonstrated great potential for performing financial tasks. However, it faces two major challenges: policy instability and sampling bottlenecks. In this paper, we revisit ensemble methods with massively parallel…

Computational Engineering, Finance, and Science · Computer Science 2025-01-22 Nikolaus Holzer , Keyi Wang , Kairong Xiao , Xiao-Yang Liu Yanglet

We have developed a new, very efficient numerical scheme to solve the CR diffusion convection equation that can be applied to the study of the nonlinear time evolution of CR modified shocks for arbitrary spatial diffusion properties. The…

Astrophysics · Physics 2009-11-11 T. W. Jones , H. Kang

Over the past decade there has been a growing interest in the development of parallel hardware systems for simulating large-scale networks of spiking neurons. Compared to other highly-parallel systems, GPU-accelerated solutions have the…

Neurons and Cognition · Quantitative Biology 2021-02-22 Bruno Golosio , Gianmarco Tiddia , Chiara De Luca , Elena Pastorelli , Francesco Simula , Pier Stanislao Paolucci

We outline how auxiliary-field quantum Monte Carlo (AFQMC) can leverage graphical processing units (GPUs) to accelerate the simulation of solid state sytems. By exploiting conservation of crystal momentum in the one- and two-electron…

Computational Physics · Physics 2020-08-21 Fionn D. Malone , Shuai Zhang , Miguel A. Morales

Dynamic simulators are computational models governed by differential equations that evolve over time. They are essential for scientific and engineering applications but remain challenging to emulate because of the unpredictable behavior of…

Computation · Statistics 2025-08-12 Junoh Heo

With the growing reliance of modern supercomputers on accelerator-based architectures such a GPUs, the development and optimization of electronic structure methods to exploit these massively parallel resources has become a recent priority.…

The research interest in specialized hardware accelerators for deep neural networks (DNN) spikes recently owing to their superior performance and efficiency. However, today's DNN accelerators primarily focus on accelerating specific…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-11 Cong Guo , Yangjie Zhou , Jingwen Leng , Yuhao Zhu , Zidong Du , Quan Chen , Chao Li , Bin Yao , Minyi Guo