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We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…

高能物理 - 格点 · 物理学 2011-02-16 Richard Galvez , Greg van Anders

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting…

人工智能 · 计算机科学 2026-02-10 Baoyun Zhao , He Wang , Liang Zeng

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

机器学习 · 计算机科学 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

The generalization accuracy of machine learning models of potential energy surfaces (PES) and force fields (FF) for large polyatomic molecules can be generally improved either by increasing the number of training points or by improving the…

化学物理 · 物理学 2023-03-20 K. Asnaashari , R. V. Krems

Symmetry is an implicit objective in structural form-finding that often reconciles efficiency and aesthetics. This paper identifies the symmetry of polyhedral diagrams in three-dimensional graphic statics (3DGS) as point groups and…

计算几何 · 计算机科学 2026-04-29 Yefan Zhi , Yao Lu , Masoud Akbarzadeh

Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

机器学习 · 统计学 2021-04-27 Adji B. Dieng

In this work, a Generalized Finite Difference (GFD) scheme is presented for effectively computing the numerical solution of a parabolic-elliptic system modelling a bacterial strain with density-suppressed motility. The GFD method is a…

数值分析 · 数学 2024-01-29 Federico Herrero-Hervás

This paper came to existence out of the desire to understand iterations of strictly triangular polynomial maps over finite fields. This resulted in two connected results: First, we give a generalization of $\F_p$-actions on $\F_p^n$ and…

代数几何 · 数学 2013-01-24 Stefan Maubach

In the near future, massively parallel computing systems will be necessary to solve computation intensive applications. The key bottleneck in massively parallel implementation of numerical algorithms is the synchronization of data across…

系统与控制 · 计算机科学 2015-03-16 Kooktae Lee , Raktim Bhattacharya , Vijay Gupta

The Bellman operator constitutes the foundation of dynamic programming (DP). An alternative is presented by the Gauss-Seidel operator, whose evaluation, differently from that of the Bellman operator where the states are all processed at…

最优化与控制 · 数学 2021-10-07 Matilde Gargiani , Andrea Martinelli , Max Ruts Martinez , John Lygeros

Harnessing parallelism in seemingly sequential models is a central challenge for modern machine learning. Several approaches have been proposed for evaluating sequential processes in parallel using iterative fixed-point methods, like…

We consider a standard elliptic partial differential equation and propose a geometric multigrid algorithm based on Dirichlet-to-Neumann (DtN) maps for hybridized high-order finite element methods. The proposed unified approach is applicable…

数值分析 · 数学 2018-11-27 Tim Wildey , Sriramkrishnan Muralikrishnan , Tan Bui-Thanh

We consider the iterative solution of generalized saddle point systems. When the right bottom block is zero, Arioli [SIAM J. Matrix Anal. Appl., 34 (2013), pp. 571--592] proposed a CRAIG algorithm based on generalized Golub-Kahan…

数值分析 · 数学 2025-09-04 Na-Na Wang , Ji-Cheng Li

We investigate the impact of the input dimension on the generalization error in generative adversarial networks (GANs). In particular, we first provide both theoretical and practical evidence to validate the existence of an optimal input…

机器学习 · 计算机科学 2024-05-08 Zhiyao Tan , Ling Zhou , Huazhen Lin

We present a Generalized Riemann Problem-based reconstruction method (GRPrec) for high-order finite volume schemes applied to hyperbolic partial differential equations. The method constructs spatial polynomials using cell averages at the…

数值分析 · 数学 2026-02-26 Gino I. Montecinos , Eleuterio F. Toro , Lucas O. Müller

The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especially when applied to complex systems such as proteins. In…

机器学习 · 计算机科学 2025-05-26 Georgios Kementzidis , Erin Wong , John Nicholson , Ruichen Xu , Yuefan Deng

This article extends the theory of classical finite-difference summation-by-parts (FD-SBP) time-marching methods to the generalized summation-by-parts (GSBP) framework. Dual-consistent GSBP time-marching methods are shown to retain: A and…

数值分析 · 数学 2016-01-26 Pieter D. Boom , David W. Zingg

Generalized additive index models (GAIMs) offer a flexible semiparametric framework for capturing complex data relationships, balancing the interpretability of parametric models with the flexibility of nonparametric approaches. However,…

统计方法学 · 统计学 2026-05-29 Ziyu Peng , Linglingzhi Zhu , Yao Xie

We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured…

机器学习 · 计算机科学 2024-08-02 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Generalized Schr\"odinger Bridges (GSBs) are a fundamental mathematical framework used to analyze the most likely particle evolution based on the principle of least action including kinetic and potential energy. In parallel to their…

机器学习 · 统计学 2024-12-31 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou