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Hierarchical abstractions are a methodology for solving large-scale graph problems in various disciplines. Coarsening is one such approach: it generates a pyramid of graphs whereby the one in the next level is a structural summary of the…

Machine Learning · Computer Science 2020-12-08 Tengfei Ma , Jie Chen

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…

Chemical Physics · Physics 2020-06-18 Wujie Wang , Rafael Gómez-Bombarelli

Given a multigrid procedure for linear systems with coefficient matrices $A_n$, we discuss the optimality of a related multigrid procedure with the same smoother and the same projector, when applied to properly related algebraic problems…

Numerical Analysis · Mathematics 2012-11-03 Stefano Serra-Capizzano , Cristina Tablino Possio

Algebraic multigrid (AMG) is one of the most widely used solution techniques for linear systems of equations arising from discretized partial differential equations. The popularity of AMG stems from its potential to solve linear systems in…

Numerical Analysis · Mathematics 2026-04-03 Carlo Janna , Andrea Franceschini , Jacob B. Schroder , Luke Olson

This paper presents a novel optimization for differentiable programming named coarsening optimization. It offers a systematic way to synergize symbolic differentiation and algorithmic differentiation (AD). Through it, the granularity of the…

Solving different types of optimization models (including parameters fitting) for support vector machines on large-scale training data is often an expensive computational task. This paper proposes a multilevel algorithmic framework that…

Machine Learning · Statistics 2014-10-14 Talayeh Razzaghi , Ilya Safro

A multiscale optimization framework for problems over a space of Lipschitz continuous functions is developed. The method solves a coarse-grid discretization followed by linear interpolation to warm-start project gradient descent on…

Numerical Analysis · Mathematics 2026-03-05 Nicholas J. E. Richardson , Noah Marusenko , Michael P. Friedlander

While Annealing Machines (AM) have shown increasing capabilities in solving complex combinatorial problems, positioning themselves as a more immediate alternative to the expected advances of future fully quantum solutions, there are still…

Artificial Intelligence · Computer Science 2025-01-13 Pablo Loyola , Kento Hasegawa , Andres Hoyos-Idobro , Kazuo Ono , Toyotaro Suzumura , Yu Hirate , Masanao Yamaoka

In this paper, the elliptic PDE-constrained optimization problem with box constraints on the control is studied. To numerically solve the problem, we apply the 'optimize-discretize-optimize' strategy. Specifically, the alternating direction…

Optimization and Control · Mathematics 2019-08-14 Xiaotong Chen , Xiaoliang Song , Zixuan Chen , Bo Yu

This paper introduces the multiplicative variant of the recently proposed asynchronous additive coarse-space correction method. Definition of an asynchronous extension of multiplicative correction is not straightforward, however, our…

Numerical Analysis · Mathematics 2023-12-20 Guillaume Gbikpi-Benissan , Frédéric Magoulès

Multiscale molecular modeling is widely applied in scientific research of molecular properties over large time and length scales. Two specific challenges are commonly present in multiscale modeling, provided that information between the…

Computational Physics · Physics 2024-07-23 Jun Zhang , Xiaohan Lin , Weinan E , Yi Qin Gao

In this work we exploit agglomeration based $h$-multigrid preconditioners to speed-up the iterative solution of discontinuous Galerkin discretizations of the Stokes and Navier-Stokes equations. As a distinctive feature $h$-coarsened mesh…

Computational Physics · Physics 2017-09-13 Lorenzo Botti , Alessandro Colombo , Francesco Bassi

We propose a clustering-based iterative algorithm to solve certain optimization problems in machine learning, where we start the algorithm by aggregating the original data, solving the problem on aggregated data, and then in subsequent…

Machine Learning · Statistics 2017-01-23 Young Woong Park , Diego Klabjan

Many problems in modern robotics can be addressed by modeling them as bilevel optimization problems. In this work, we leverage augmented Lagrangian methods and recent advances in automatic differentiation to develop a general-purpose…

Robotics · Computer Science 2019-07-03 Benoit Landry , Zachary Manchester , Marco Pavone

Elliptic partial differential equations (PDEs) frequently arise in continuum descriptions of physical processes relevant to science and engineering. Multilevel preconditioners represent a family of scalable techniques for solving discrete…

Mathematical Software · Computer Science 2016-04-26 Dave A. May , Patrick Sanan , Karl Rupp , Matthew G. Knepley , Barry F. Smith

Nonlinear optimal control problems for trajectory planning with obstacle avoidance present several challenges. While general-purpose optimizers and dynamic programming methods struggle when adopted separately, their combination enabled by a…

Optimization and Control · Mathematics 2024-08-09 Rebecca Richter , Alberto De Marchi , Matthias Gerdts

The accurate assembly of the system matrix is an important step in any code that solves partial differential equations on a mesh. We either explicitly set up a matrix, or we work in a matrix-free environment where we have to be able to…

Mathematical Software · Computer Science 2020-06-19 Charles D. Murray , Tobias Weinzierl

In the present work, a multi-scale framework for neural network enhanced methods is proposed for approximation of function and solution of partial differential equations (PDEs). By introducing the multi-scale concept, the total solution of…

Numerical Analysis · Mathematics 2022-09-07 Xiaodan Ren

Tensor networks have proven to be a valuable tool, for instance, in the classical simulation of (strongly correlated) quantum systems. As the size of the systems increases, contracting larger tensor networks becomes computationally…

Quantum Physics · Physics 2025-07-29 Manuel Geiger , Qunsheng Huang , Christian B. Mendl

Standard gradient-based iteration algorithms for optimization, such as gradient descent and its various proximal-based extensions to nonsmooth problems, are known to converge slowly for ill-conditioned problems, sometimes requiring many…

Numerical Analysis · Mathematics 2026-03-24 G. H. M. Araújo , O. A. Krzysik , H. De Sterck