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Quasiparticle self-consistent many-body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited-state properties of molecular systems without depending on the choice of starting points.…

Materials Science · Physics 2023-12-05 Young-Moo Byun , Jejoong Yoo

Accelerating machine learning inference has been an active research area in recent years. In this context, field-programmable gate arrays (FPGAs) have demonstrated compelling performance by providing massive parallelism in deep neural…

Machine Learning · Computer Science 2025-01-06 Alireza Khataei , Kia Bazargan

Recent byte-level language models (LMs) match the performance of token-level models without relying on subword vocabularies, yet their utility is limited by slow, byte-by-byte autoregressive generation. We address this bottleneck in the…

In recent years, Bi-Level Optimization (BLO) techniques have received extensive attentions from both learning and vision communities. A variety of BLO models in complex and practical tasks are of non-convex follower structure in nature…

Machine Learning · Computer Science 2021-10-29 Risheng Liu , Yaohua Liu , Shangzhi Zeng , Jin Zhang

We assess the performance of the hybrid Open Accelerator (OpenACC) and Message Passing Interface (MPI) approach for multi-graphics processing units (GPUs) accelerated thermal lattice Boltzmann (LB) simulation. The OpenACC accelerates…

Fluid Dynamics · Physics 2022-11-21 Ao Xu , Bo-Tao Li

We present a massively parallel Lagrange decomposition method for solving 0--1 integer linear programs occurring in structured prediction. We propose a new iterative update scheme for solving the Lagrangean dual and a perturbation technique…

Optimization and Control · Mathematics 2022-04-20 Ahmed Abbas , Paul Swoboda

Matrix Factorization (MF) on large scale data takes substantial time on a Central Processing Unit (CPU). While Graphical Processing Unit (GPU)s could expedite the computation of MF, the available memory on a GPU is finite. Leveraging GPUs…

Machine Learning · Computer Science 2023-04-28 Prasad Bhavana , Vineet Padmanabhan

We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting…

Materials Science · Physics 2024-12-25 Victor Wen-zhe Yu , Yu Jin , Giulia Galli , Marco Govoni

A concurrent binary tree (CBT) is a GPU-friendly data-structure suitable for the generation of bisection based terrain tessellations, i.e., adaptive triangulations over square domains. In this paper, we expand the benefits of this…

Graphics · Computer Science 2024-07-03 Anis Benyoub , Jonathan Dupuy

We propose a parallel graph-based data clustering algorithm using CUDA GPU, based on exact clustering of the minimum spanning tree in terms of a minimum isoperimetric criteria. We also provide a comparative performance analysis of our…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-02-17 Ramin Javadi , Saleh Ashkboos

Transformer models have emerged as the leading approach for achieving state-of-the-art performance across various application domains, serving as the foundation for advanced large-scale deep learning (DL) models. However, efficiently…

Machine Learning · Computer Science 2024-09-06 Yujie Wang , Youhe Jiang , Xupeng Miao , Fangcheng Fu , Shenhan Zhu , Xiaonan Nie , Yaofeng Tu , Bin Cui

$k$d-trees are widely used in parallel databases to support efficient neighborhood/similarity queries. Supporting parallel updates to $k$d-trees is therefore an important operation. In this paper, we present BDL-tree, a parallel,…

Data Structures and Algorithms · Computer Science 2021-12-14 Rahul Yesantharao , Yiqiu Wang , Laxman Dhulipala , Julian Shun

We propose a GPU-based iterative method for accelerated elastodynamic simulation with the log-barrier-based contact model. While Newton's method is a conventional choice for solving the interior-point system, the presence of ill-conditioned…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-14 Dewen Guo , Minchen Li , Yin Yang , Guoping Wang , Sheng Li

We present a GPU solution for exact maximal clique enumeration (MCE) that performs a search tree traversal following the Bron-Kerbosch algorithm. Prior works on parallelizing MCE on GPUs perform a breadth-first traversal of the tree, which…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-25 Mohammad Almasri , Yen-Hsiang Chang , Izzat El Hajj , Rakesh Nagi , Jinjun Xiong , Wen-mei Hwu

To find deterministic solutions to the transient $S_N$ neutron transport equation, iterative schemes are typically used to treat the scattering (and fission) source terms. We explore the one-cell inversion iteration scheme to do this on the…

Computational Physics · Physics 2023-08-10 J. P. Morgan , Ilham Variansyah , Todd S. Palmer , Kyle E. Niemeyer

The substantial computational and memory demands of Large Language Models (LLMs) hinder their deployment. Block Floating Point (BFP) has proven effective in accelerating linear operations, a cornerstone of LLM workloads. However, as…

Hardware Architecture · Computer Science 2025-02-10 Hui Wang , Yuan Cheng , Xiaomeng Han , Zhengpeng Zhao , Dawei Yang , Zhe Jiang

Gradient Boosting Decision Tree (GBDT) are popular machine learning algorithms with implementations such as LightGBM and in popular machine learning toolkits like Scikit-Learn. Many implementations can only produce trees in an offline…

Machine Learning · Statistics 2020-02-06 Chapman Siu

A merge tree is a topological descriptor of a real-valued function. Merge trees are used in visualization and topological data analysis, either directly or as a means to another end: computing a 0-dimensional persistence diagram,…

Computational Geometry · Computer Science 2023-01-31 Arnur Nigmetov , Dmitriy Morozov

The rapid advancement of GPU technology has unlocked powerful parallel processing capabilities, creating new opportunities to enhance classic search algorithms. This hardware has been exploited in best-first search algorithms with neural…

Artificial Intelligence · Computer Science 2025-11-18 Ehsan Futuhi , Nathan R. Sturtevant

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro