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The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\psi}}){\psi} = E{\psi}. This new scheme is derived from a…

Computational Physics · Physics 2015-06-12 Brendan Gavin , Eric Polizzi

Most iterative algorithms for eigenpair computation consist of two main steps: a subspace update (SU) step that generates bases for approximate eigenspaces, followed by a Rayleigh-Ritz (RR) projection step that extracts approximate…

Numerical Analysis · Mathematics 2015-07-23 Zaiwen Wen , Yin Zhang

We address the stochastic transmission expansion planning (STEP) problem under uncertainty in renewable generation capacity and demand. STEP's objective is to minimize total transmission investment and generation costs. To tackle the…

Optimization and Control · Mathematics 2026-05-12 Yure Rocha , Teobaldo Bulhões , Anand Subramanian , Joaquim Dias Garcia

Recently, random feature attentions (RFAs) are proposed to approximate the softmax attention in linear time and space complexity by linearizing the exponential kernel. In this paper, we first propose a novel perspective to understand the…

Machine Learning · Computer Science 2022-06-16 Lin Zheng , Chong Wang , Lingpeng Kong

The stochastic simulation algorithm (SSA) is widely used to perform exact forward simulation of discrete stochastic processes in biology. However, the computational cost, driven by sequential event-by-event sampling across large ensembles,…

Quantitative Methods · Quantitative Biology 2026-05-04 Tom Kimpson , Mark B. Flegg , Jennifer A. Flegg

Perfect synchronization in distributed machine learning problems is inefficient and even impossible due to the existence of latency, package losses and stragglers. We propose a Robust Fully-Asynchronous Stochastic Gradient Tracking method…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-30 Zehan Zhu , Ye Tian , Yan Huang , Jinming Xu , Shibo He

We present a fast randomized algorithm that computes a low rank LU decomposition. Our algorithm uses random projections type techniques to efficiently compute a low rank approximation of large matrices. The randomized LU algorithm can be…

Numerical Analysis · Mathematics 2016-02-02 Gil Shabat , Yaniv Shmueli , Yariv Aizenbud , Amir Averbuch

We propose a hybrid algorithm for the time integration of large sets of rate equations coupled by a relatively small number of degrees of freedom. A subset containing fast degrees of freedom evolves deterministically, while the rest of the…

Materials Science · Physics 2015-06-16 Marco Gherardi , Thomas Jourdan , Solène Le Bourdiec , Guy Bencteux

Data subject to heavy-tailed errors are commonly encountered in various scientific fields, especially in the modern era with explosion of massive data. To address this problem, procedures based on quantile regression and Least Absolute…

Statistics Theory · Mathematics 2014-10-09 Jianqing Fan , Quefeng Li , Yuyan Wang

With the emergence of Artificial Intelligence, numerical algorithms are moving towards more approximate approaches. For methods such as PCA or diffusion maps, it is necessary to compute eigenvalues of a large matrix, which may also be dense…

Numerical Analysis · Mathematics 2023-11-17 Keerthi Gaddameedi , Severin Reiz , Tobias Neckel , Hans-Joachim Bungartz

The multi-reference alignment (MRA) problem entails estimating an image from multiple noisy and rotated copies of itself. If the noise level is low, one can reconstruct the image by estimating the missing rotations, aligning the images, and…

Signal Processing · Electrical Eng. & Systems 2022-06-17 Noam Janco , Tamir Bendory

Training deep learning models and performing hyperparameter tuning can be computationally demanding and time-consuming. Meanwhile, traditional machine learning methods like gradient-boosting algorithms remain the preferred choice for most…

Machine Learning · Computer Science 2024-02-23 David Bonet , Daniel Mas Montserrat , Xavier Giró-i-Nieto , Alexander G. Ioannidis

Large language models (LLMs) enhanced with retrieval augmentation has shown great performance in many applications. However, the computational demands for these models pose a challenge when applying them to real-time tasks, such as…

Computation and Language · Computer Science 2024-10-15 Menglin Xia , Xuchao Zhang , Camille Couturier , Guoqing Zheng , Saravan Rajmohan , Victor Ruhle

The successes of deep learning, variational inference, and many other fields have been aided by specialized implementations of reverse-mode automatic differentiation (AD) to compute gradients of mega-dimensional objectives. The AD…

Machine Learning · Computer Science 2021-03-16 Deniz Oktay , Nick McGreivy , Joshua Aduol , Alex Beatson , Ryan P. Adams

We study the classic subgraph enumeration problem under distributed settings. Existing solutions either suffer from severe memory crisis or rely on large indexes, which makes them impractical for very large graphs. Most of them follow a…

Databases · Computer Science 2019-01-24 Xuguang Ren , Junhu Wang , Wook-Shin Han , Jeffrey Xu Yu

The massive scale of modern AI accelerators presents critical challenges to traditional fault assessment methodologies, which face prohibitive computational costs and provide poor coverage of critical failure modes. This paper introduces…

Artificial Intelligence · Computer Science 2025-12-11 Khurram Khalil , Muhammad Mahad Khaliq , Khaza Anuarul Hoque

Randomized numerical linear algebra is proved to bridge theoretical advancements to offer scalable solutions for approximating tensor decomposition. This paper introduces fast randomized algorithms for solving the fixed Tucker-rank problem…

Numerical Analysis · Mathematics 2025-06-06 Maolin Che , Yimin Wei , Chong Wu , Hong Yan

We present two new algebraic multilevel hierarchical matrix algorithms to perform fast matrix-vector product (MVP) for $N$-body problems in $d$ dimensions, namely efficient $\mathcal{H}^2_{*}$ (fully nested algorithm, i.e., $\mathcal{H}^2$…

Numerical Analysis · Mathematics 2026-04-13 Ritesh Khan , Sivaram Ambikasaran

In this paper, we develop a novel high-dimensional coefficient estimation procedure based on high-frequency data. Unlike usual high-dimensional regression procedures such as LASSO, we additionally handle the heavy-tailedness of…

Methodology · Statistics 2025-10-22 Minseok Shin , Donggyu Kim

Ridge regression (RR) is an important machine learning technique which introduces a regularization hyperparameter $\alpha$ to ordinary multiple linear regression for analyzing data suffering from multicollinearity. In this paper, we present…

Quantum Physics · Physics 2021-08-03 Chao-Hua Yu , Fei Gao , Qiao-Yan Wen