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The conjugate gradient solver (CG) is a prevalent method for solving symmetric and positive definite linear systems Ax=b, where effective preconditioners are crucial for fast convergence. Traditional preconditioners rely on prescribed…

Machine Learning · Computer Science 2025-11-03 Zherui Yang , Zhehao Li , Kangbo Lyu , Yixuan Li , Tao Du , Ligang Liu

Differentiable model predictive control (MPC) offers a powerful framework for combining learning and control. However, its adoption has been limited by the inherently sequential nature of traditional optimization algorithms, which are…

Optimization and Control · Mathematics 2025-10-08 Emre Adabag , Marcus Greiff , John Subosits , Thomas Lew

With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…

Instrumentation and Methods for Astrophysics · Physics 2015-12-22 Georgios Bekiaris , Karl Glazebrook , Christopher J. Fluke , Roberto Abraham

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…

Computational Physics · Physics 2025-05-08 Valay Agarawal , Rishu Khurana , Cong Liu , Matthew R. Hermes , Christopher Knight , Laura Gagliardi

The rapid expansion of Transformer-based large language models has dramatically increased the need for high-performance GPUs. As a result, there is growing demand for fast, accurate, and widely generalizable GPU performance models to…

The linear conjugate gradient method is widely used in physical simulation, particularly for solving large-scale linear systems derived from Newton's method. The nonlinear conjugate gradient method generalizes the conjugate gradient method…

Optimization and Control · Mathematics 2024-05-15 Xing Shen , Runyuan Cai , Mengxiao Bi , Tangjie Lv

The accuracy of phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) can be systematically improved with better trial states. Using multi-Slater determinant trial states, ph-AFQMC has the potential to faithfully treat strongly…

Chemical Physics · Physics 2024-06-13 Yifei Huang , Zhen Guo , Hung Q. Pham , Dingshun Lv

Gaussian Process Regression (GPR) is an important type of supervised machine learning model with inherent uncertainty measure in its predictions. We propose a new framework, nuGPR, to address the well-known challenge of high computation…

Machine Learning · Computer Science 2025-10-15 Ziqi Zhao , Vivek Sarin

We introduce a novel Unsmoothed Aggregation (UA) Algebraic Multigrid (AMG) method combined with Preconditioned Conjugate Gradient (PCG) to overcome the limitations of Extended Position-Based Dynamics (XPBD) in high-resolution and…

Graphics · Computer Science 2025-05-20 Chunlei Li , Peng Yu , Tiantian Liu , Siyuan Yu , Yuting Xiao , Shuai Li , Aimin Hao , Yang Gao , Qinping Zhao

We introduce a fusion of GPU accelerated primal heuristics for Mixed Integer Programming. Leveraging GPU acceleration enables exploration of larger search regions and faster iterations. A GPU-accelerated PDLP serves as an approximate LP…

Optimization and Control · Mathematics 2025-10-31 Akif Çördük , Piotr Sielski , Alice Boucher , Kumar Aatish

We describe main issues and design principles of an efficient implementation, tailored to recent generations of Nvidia Graphics Processing Units (GPUs), of an Algebraic Multigrid (AMG) preconditioner previously proposed by one of the…

Numerical Analysis · Mathematics 2018-10-11 Massimo Bernaschi , Pasqua D'Ambra , Dario Pasquini

We develop a GPU-accelerated dynamic programming (DP) method for valuing, operating, and bidding energy storage under multistage stochastic electricity prices. Motivated by computational limitations in existing models, we formulate DP…

Optimization and Control · Mathematics 2025-11-20 Thomas Lee , Andy Sun

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

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with…

Turbulent flows and fluid-structure interactions (FSI) are ubiquitous in scientific and engineering applications, but their accurate and efficient simulation remains a major challenge due to strong nonlinearities, multiscale interactions,…

Fluid Dynamics · Physics 2025-06-02 Xiantao Fan , Xinyang Liu , Meng Wang , Jian-Xun Wang

Scheduling real-time tasks that utilize GPUs with analyzable guarantees poses a significant challenge due to the intricate interaction between CPU and GPU resources, as well as the complex GPU hardware and software stack. While much…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-11 Yidi Wang , Cong Liu , Daniel Wong , Hyoseung Kim

In recent years, more and more attention has been paid to the use of artificial neural networks (ANN) for diagnostics of gas pumping units (GPU). Usually, ANN training is carried out on models of GPU workflows, and generated sets of…

Machine Learning · Computer Science 2025-02-26 Mykola Kozlenko , Olena Zamikhovska , Leonid Zamikhovskyi

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

Implicit time integration is key to robustly simulating stiff materials and large deformations, but its performance is often dominated by repeatedly solving large linear systems. Adaptive coarsening can reduce this cost by concentrating…

Graphics · Computer Science 2026-05-07 Xuan Wang , Zhaofeng Luo , Minchen Li , Taku Komura , Kemeng Huang

Fluid simulations are often performed using the incompressible Navier-Stokes equations (INSE), leading to sparse linear systems which are difficult to solve efficiently in parallel. Recently, kinetic methods based on the…

Graphics · Computer Science 2021-01-29 Yixin Chen , Wei Li , Rui Fan , Xiaopei Liu