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The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the extended electronic state generate significant linear…

Chemical Physics · Physics 2019-12-30 Susi Lehtola

High-dimensional sparse data emerge in many critical application domains such as healthcare and cybersecurity. To extract meaningful insights from massive volumes of these multi-dimensional data, scientists employ unsupervised analysis…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-18 Jan Laukemann , Ahmed E. Helal , S. Isaac Geronimo Anderson , Fabio Checconi , Yongseok Soh , Jesmin Jahan Tithi , Teresa Ranadive , Brian J Gravelle , Fabrizio Petrini , Jee Choi

This paper introduces a fast algorithm for simultaneous inversion and determinant computation of small sized matrices in the context of fully Polarimetric Synthetic Aperture Radar (PolSAR) image processing and analysis. The proposed fast…

Numerical Analysis · Computer Science 2018-07-24 D. F. G. Coelho , R. J. Cintra , A. C. Frery , V. S. Dimitrov

The main computational cost of algorithms for computing reduced-order models of parametric dynamical systems is in solving sequences of very large and sparse linear systems. We focus on efficiently solving these linear systems, arising…

Numerical Analysis · Mathematics 2018-09-19 Navneet Pratap Singh , Kapil Ahuja

We propose a parameter optimization method for achieving static equilibrium of discrete elastic rods. Our method simultaneously optimizes material stiffness and rest shape parameters under box constraints to exactly enforce zero net force…

Graphics · Computer Science 2025-10-16 Tetsuya Takahashi , Christopher Batty

We introduce a generic framework for solving linear programs (LPs) with many constraints $(n \gg d)$ via adaptive sparsification. Our approach provides a principled generalization of the techniques of [Assadi '23] from matching problems to…

Quantum Physics · Physics 2025-10-10 Étienne Objois , Adrian Vladu

We propose an algorithmic framework for convex minimization problems of a composite function with two terms: a self-concordant function and a possibly nonsmooth regularization term. Our method is a new proximal Newton algorithm that…

Machine Learning · Statistics 2013-03-20 Quoc Tran Dinh , Anastasios Kyrillidis , Volkan Cevher

Tensors play a vital role in machine learning (ML) and often exhibit properties best explored while maintaining high-order. Efficiently performing ML computations requires taking advantage of sparsity, but generalized hardware support is…

Hardware Architecture · Computer Science 2024-04-26 Gabriel Kulp , Andrew Ensinger , Lizhong Chen

Estimating large covariance matrices has been a longstanding important problem in many applications and has attracted increased attention over several decades. This paper deals with two methods based on pre-existing works to impose sparsity…

Applications · Statistics 2017-12-06 Ahmad W. Bitar , Jean-Philippe Ovarlez , Loong-Fah Cheong

Implicit solvers present strong limitations when used on supercomputing facilities and in particular for adaptive mesh-refinement codes. We present a new method for implicit adaptive time-stepping on adaptive mesh refinement-grids. We…

Instrumentation and Methods for Astrophysics · Physics 2014-03-05 Benoit Commercon , Vincent Debout , Romain Teyssier

We develop and analyze stochastic optimization algorithms for problems in which the expected loss is strongly convex, and the optimum is (approximately) sparse. Previous approaches are able to exploit only one of these two structures,…

Machine Learning · Statistics 2012-07-19 Alekh Agarwal , Sahand Negahban , Martin J. Wainwright

Many large-scale systems rely on high-quality deep representations (embeddings) to facilitate tasks like retrieval, search, and generative modeling. Matryoshka Representation Learning (MRL) recently emerged as a solution for adaptive…

Machine Learning · Computer Science 2025-05-21 Tiansheng Wen , Yifei Wang , Zequn Zeng , Zhong Peng , Yudi Su , Xinyang Liu , Bo Chen , Hongwei Liu , Stefanie Jegelka , Chenyu You

This paper presents a novel adaptive-sparse polynomial dimensional decomposition (PDD) method for stochastic design optimization of complex systems. The method entails an adaptive-sparse PDD approximation of a high-dimensional stochastic…

Numerical Analysis · Mathematics 2016-01-13 Sharif Rahman , Xuchun Ren , Vaibhav Yadav

Recurrence equations lie at the heart of many computational paradigms including dynamic programming, graph analysis, and linear solvers. These equations are often expensive to compute and much work has gone into optimizing them for…

Programming Languages · Computer Science 2023-09-12 Shiv Sundram , Muhammad Usman Tariq , Fredrik Kjolstad

The problem of optimal precision switching for the conjugate gradient (CG) method applied to sparse linear systems is considered. A sparse matrix is defined as an $n\!\times\!n$ matrix with $m\!=\!O(n)$ nonzero entries. The algorithm first…

Numerical Analysis · Mathematics 2026-03-03 Alexander V. Prolubnikov

For many applications involving a sequence of linear systems with slowly changing system matrices, subspace recycling, which exploits relationships among systems and reuses search space information, can achieve huge gains in iterations…

Numerical Analysis · Mathematics 2023-06-28 Misha E. Kilmer , Eric de Sturler

The Cholesky decomposition plays an important role in finding the inverse of the correlation matrices. As it is a fast and numerically stable for linear system solving, inversion, and factorization compared to singular valued decomposition…

Commutative Algebra · Mathematics 2017-03-20 Vanita Pawar , Krishna Naik Karamtot

Physical systems commonly exhibit spatially varying complexity, presenting a significant challenge for neural PDE solvers. While Graph Neural Networks can handle the irregular meshes required for complex geometries and boundary conditions,…

Machine Learning · Computer Science 2025-11-25 Winfried van den Dool , Maksim Zhdanov , Yuki M. Asano , Max Welling

We propose, analyze, and test new iterative solvers for large-scale systems of linear algebraic equations arising from the finite element discretization of reduced optimality systems defining the finite element approximations to the…

Numerical Analysis · Mathematics 2023-12-20 Ulrich Langer , Richard Löscher , Olaf Steinbach , Huidong Yang

Multi-head-self-attention (MHSA) mechanisms achieve state-of-the-art (SOTA) performance across natural language processing and vision tasks. However, their quadratic dependence on sequence lengths has bottlenecked inference speeds. To…

Programming Languages · Computer Science 2024-07-25 Ahan Gupta , Yueming Yuan , Devansh Jain , Yuhao Ge , David Aponte , Yanqi Zhou , Charith Mendis