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In this paper, we introduce the new construction of fractional derivatives and integrals with respect to a function, based on a matrix approach. We believe that this is a powerful tool in both analytical and numerical calculations. We begin…

Numerical Analysis · Mathematics 2025-12-12 V. N. Kolokoltsov , E. L. Shishkina

The study of rare events is one of the major challenges in atomistic simulations, and several enhanced sampling methods towards its solution have been proposed. Recently, it has been suggested that the use of the committor, which provides a…

Computational Physics · Physics 2025-10-23 Peilin Kang , Jintu Zhang , Enrico Trizio , TingJun Hou , Michele Parrinello

We propose a method combining boundary integral equations and neural networks (BINet) to solve partial differential equations (PDEs) in both bounded and unbounded domains. Unlike existing solutions that directly operate over original PDEs,…

Numerical Analysis · Mathematics 2021-10-04 Guochang Lin , Pipi Hu , Fukai Chen , Xiang Chen , Junqing Chen , Jun Wang , Zuoqiang Shi

In this paper we consider large-scale composite optimization problems having the objective function formed as a sum of two terms (possibly nonconvex), one has (block) coordinate-wise Lipschitz continuous gradient and the other is…

Optimization and Control · Mathematics 2024-01-10 Flavia Chorobura , Ion Necoara

For quantum computers to become useful tools to physicists, engineers and computational scientists, quantum algorithms for solving nonlinear differential equations need to be developed. Despite recent advances, the quest for a solver that…

Quantum Physics · Physics 2024-01-25 Felix Tennie , Luca Magri

In this paper, we develop and analyze numerical methods for high dimensional Fokker-Planck equations by leveraging generative models from deep learning. Our starting point is a formulation of the Fokker-Planck equation as a system of…

Numerical Analysis · Mathematics 2022-06-22 Shu Liu , Wuchen Li , Hongyuan Zha , Haomin Zhou

Approximating the solutions of boundary value problems governed by partial differential equations with neural networks is challenging, largely due to the difficult training process. This difficulty can be partly explained by the spectral…

Numerical Analysis · Mathematics 2025-11-03 Alexander Heinlein , Taniya Kapoor

We present PFNN, a penalty-free neural network method, to efficiently solve a class of second-order boundary-value problems on complex geometries. To reduce the smoothness requirement, the original problem is reformulated to a weak form so…

Numerical Analysis · Mathematics 2021-02-03 Hailong Sheng , Chao Yang

Inspired by Gauss-Newton-like methods, we study the benefit of leveraging the structure of deep learning objectives, namely, the composition of a convex loss function and of a nonlinear network, in order to derive better direction oracles…

Machine Learning · Computer Science 2023-10-30 Vincent Roulet , Mathieu Blondel

The study of parametric differential equations plays a crucial role in weather forecasting and epidemiological modeling. These phenomena are better represented using fractional derivatives due to their inherent memory or hereditary effects.…

Numerical Analysis · Mathematics 2025-03-31 S M Sivalingam , V Govindaraj , A. S. Hendy

We propose a new homotopy-based conditional gradient method for solving convex optimization problems with a large number of simple conic constraints. Instances of this template naturally appear in semidefinite programming problems arising…

Optimization and Control · Mathematics 2025-01-31 Pavel Dvurechensky , Gabriele Iommazzo , Shimrit Shtern , Mathias Staudigl

We present a method to solve initial and boundary value problems using artificial neural networks. A trial solution of the differential equation is written as a sum of two parts. The first part satisfies the boundary (or initial) conditions…

Computational Physics · Physics 2016-11-15 I. E. Lagaris , A. Likas , D. I. Fotiadis

Deep neural networks are powerful tools for approximating functions, and they are applied to successfully solve various problems in many fields. In this paper, we propose a neural network-based numerical method to solve partial differential…

Numerical Analysis · Mathematics 2022-02-01 Yong Shang , Fei Wang , Jingbo Sun

Deep learning has become the state-of-art tool in many applications, but the evaluation and training of deep models can be time-consuming and computationally expensive. The conditional computation approach has been proposed to tackle this…

Machine Learning · Computer Science 2016-01-11 Emmanuel Bengio , Pierre-Luc Bacon , Joelle Pineau , Doina Precup

In this paper we analyze the global existence of classical solutions to the initial boundary-value problem for a nonlinear parabolic equation describing the collective behavior of an ensemble of neurons. These equations were obtained as a…

Analysis of PDEs · Mathematics 2011-09-08 José A. Carrillo , María d. M. González , Maria P. Gualdani , Maria E. Schonbek

Recently, there has been a lot of interest in using neural networks for solving partial differential equations. A number of neural network-based partial differential equation solvers have been formulated which provide performances…

Machine Learning · Computer Science 2020-04-21 Shehryar Malik , Usman Anwar , Ali Ahmed , Alireza Aghasi

Factorization machines and polynomial networks are supervised polynomial models based on an efficient low-rank decomposition. We extend these models to the multi-output setting, i.e., for learning vector-valued functions, with application…

Machine Learning · Statistics 2017-11-07 Mathieu Blondel , Vlad Niculae , Takuma Otsuka , Naonori Ueda

At present, deep learning based methods are being employed to resolve the computational challenges of high-dimensional partial differential equations (PDEs). But the computation of the high order derivatives of neural networks is costly,…

Numerical Analysis · Mathematics 2021-03-17 Quanhui Zhu , Jiang Yang

We present a novel yet simple deep learning approach, called input gradient annealing neural network (IGANN), for solving stationary Fokker-Planck equations. Traditional methods, such as finite difference and finite elements, suffer from…

Dynamical Systems · Mathematics 2024-09-04 Liangkai Hang , Dan Hu , Zhi-Qin John Xu

This paper addresses the problem of optimizing partition functions in a stochastic learning setting. We propose a stochastic variant of the bound majorization algorithm that relies on upper-bounding the partition function with a quadratic…

Machine Learning · Computer Science 2020-11-04 Jing Wang , Anna Choromanska