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We propose a novel neural preconditioned Newton (NP-Newton) method for solving parametric nonlinear systems of equations. To overcome the stagnation or instability of Newton iterations caused by unbalanced nonlinearities, we introduce a…

Numerical Analysis · Mathematics 2025-11-13 Youngkyu Lee , Shanqing Liu , Jerome Darbon , George Em Karniadakis

In this contribution we device and analyze improved variants of the non-conforming dual approach for trust-region reduced basis (TR-RB) approximation of PDE-constrained parameter optimization that has recently been introduced in [Keil et…

Numerical Analysis · Mathematics 2022-03-22 Stefan Banholzer , Tim Keil , Luca Mechelli , Mario Ohlberger , Felix Schindler , Stefan Volkwein

The paper considers the numerical solution of nonlinear integral equations using the Newton-Kantorovich method with the mpmath library. High-precision quadrature of the kernel K(t, s, u) with respect to the variable s for fixed t increases…

Numerical Analysis · Mathematics 2025-11-03 Kirill A. Chertoganov , Valery I. Shipalov

In this paper we present an efficient active-set method for the solution of convex quadratic programming problems with general piecewise-linear terms in the objective, with applications to sparse approximations and risk-minimization. The…

Optimization and Control · Mathematics 2024-05-08 Spyridon Pougkakiotis , Jacek Gondzio , Dionysis Kalogerias

The $k$-method is the isogeometric method based on splines (or NURBS, etc.) with maximum regularity. When implemented following the paradigms of classical finite element methods, the computational resources required by the $k-$method are…

Numerical Analysis · Mathematics 2018-05-23 Giancarlo Sangalli , Mattia Tani

The asymptotic Karush-Kuhn-Tucker (AKKT) optimality conditions are distinguished from other approaches in the literature by virtue of their capacity to be effectively derived through numerical methods, such as the utilization of an…

Optimization and Control · Mathematics 2026-05-29 Rodrigo B. Moreira , Moisés R. C. do Monte , Valeriano A. de Oliveira

We propose a state-averaged orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for use on near-term quantum computers. Instead of parameterizing the orbital rotation operator in…

Chemical Physics · Physics 2024-04-09 Joel Bierman , Yingzhou Li , Jianfeng Lu

Perdew-Zunger self-interaction correction (PZ-SIC) offers a route to remove self-interaction errors on an orbital-by-orbital basis. A recent formulation of PZ-SIC by Pederson, Ruzsinszky and Perdew proposes restricting the unitary…

Chemical Physics · Physics 2021-12-07 Carlos M. Diaz , Tunna Baruah , Rajendra R. Zope

Solution methods for the nonlinear partial differential equation of the Rudin-Osher-Fatemi (ROF) and minimum-surface models are fundamental for many modern applications. Many efficient algorithms have been proposed. First order methods are…

Numerical Analysis · Mathematics 2022-08-03 Xue-Cheng Tai , Ragnar Winther , Xiaodi Zhang , Weiying Zheng

In the Oil and Gas industry, estimating a subsurface velocity field is an essential step in seismic processing, reservoir characterization, and hydrocarbon volume calculation. Full-waveform inversion (FWI) velocity modeling is an iterative…

Machine Learning · Computer Science 2021-09-24 Saraiva Marcus , Forechi Avelino , de Oliveira Neto Jorcy , DelRey Antonio , Rauber Thomas

To obtain high-resolution images of subsurface structures from seismic data, seismic imaging techniques such as Full Waveform Inversion (FWI) serve as crucial tools. However, FWI involves solving a nonlinear and often non-unique inverse…

Geophysics · Physics 2024-06-10 Yuke Xie , Hervé Chauris , Nicolas Desassis

We study a PDE-constrained optimal control problem that involves functions of bounded variation as controls and includes the TV seminorm of the control in the objective. We apply a path-following inexact Newton method to the problems that…

Optimization and Control · Mathematics 2022-03-31 Dominik Hafemeyer , Florian Mannel

We study a semismooth Newton-type method for the nearest doubly stochastic matrix problem where both differentiability and nonsingularity of the Jacobian can fail. The optimality conditions for this problem are formulated as a system of…

Optimization and Control · Mathematics 2021-07-21 Hao Hu , Haesol Im , Xinxin Li , Henry Wolkowicz

We consider a parametric quasi-variational inequality (QVI) without any convexity assumption. Using the concept of \emph{optimal value function}, we transform the problem into that of solving a nonsmooth system of inequalities. Based on…

Optimization and Control · Mathematics 2024-08-21 Joydeep Dutta , Lahoussine Lafhim , Alain Zemkoho , Shenglong Zhou

Quantitative speed-of-sound (SoS) and attenuation of tissues are closely related to pathology; however, conventional B-mode images are limited to qualitative visualization. Existing ultrasound full-waveform inversion (FWI) methods for…

Signal Processing · Electrical Eng. & Systems 2026-04-20 Rui Guo , Ditza Auerbach , Yonina C. Eldar

Full-waveform inversion is a cutting-edge methodology for recovering high-resolution subsurface models. However, one of the main conventional full-waveform optimization problems challenges is cycle-skipping, usually leading us to an…

Computational Physics · Physics 2022-05-20 Muhammad Izzatullah , Tariq Alkhalifah

This work presents an end-to-end strategy for solving inverse problems constrained by Partial Differential Equations within a fully differentiable Machine Learning framework. The proposed formulation provides a unified and user-friendly…

Computational Engineering, Finance, and Science · Computer Science 2026-05-29 Luca Saverio , Michele Alessandro Bucci , Gianmarco Farro , Cédric Content , Denis Sipp

Given a non-convex optimization problem, we study conditions under which every Karush-Kuhn-Tucker (KKT) point is a global optimizer. This property is known as KT-invexity and allows to identify the subset of problems where an interior point…

Optimization and Control · Mathematics 2017-07-07 Ksenia Bestuzheva , Hassan Hijazi

Computing approximate Karush--Kuhn--Tucker (KKT) points for constrained nonconvex programs is a fundamental problem in mathematical programming. Interior-point trust-region (IPTR) methods are particularly attractive for such problems…

Data Structures and Algorithms · Computer Science 2026-04-28 Yuexin Su , Chenyi Zhang , Peiyuan Huang , Tongyang Li , Yinyu Ye

A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…

Soft Condensed Matter · Physics 2016-08-31 A. Kolb , B. Duenweg
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