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Physics-Informed Neural Networks (PINNs) are machine learning tools that approximate the solution of general partial differential equations (PDEs) by adding them in some form as terms of the loss/cost function of a Neural Network. Most…

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

分子网络 · 定量生物学 2025-02-27 Anna C. M. Thöni , William E. Robinson , Yoram Bachrach , Wilhelm T. S. Huck , Tal Kachman

Operator learning aims to discover properties of an underlying dynamical system or partial differential equation (PDE) from data. Here, we present a step-by-step guide to operator learning. We explain the types of problems and PDEs amenable…

数值分析 · 数学 2025-04-30 Nicolas Boullé , Alex Townsend

Neural ordinary differential equations (NODE) have been recently proposed as a promising approach for nonlinear system identification tasks. In this work, we systematically compare their predictive performance with current state-of-the-art…

机器学习 · 计算机科学 2022-03-16 Aowabin Rahman , Ján Drgoňa , Aaron Tuor , Jan Strube

Neural networks (NNs) are employed to predict equations of state from a given isotropic pair potential using the virial expansion of the pressure. The NNs are trained with data from molecular dynamics simulations of monoatomic gases and…

软凝聚态物质 · 物理学 2024-06-19 Fabian Berressem , Arash Nikoubashman

Deep neural networks (DNNs) have been widely used to solve partial differential equations (PDEs) in recent years. In this work, a novel deep learning-based framework named Particle Weak-form based Neural Networks (ParticleWNN) is developed…

机器学习 · 计算机科学 2023-11-14 Yaohua Zang , Gang Bao

Neural networks (NN) have achieved state-of-the-art performance in various applications. Unfortunately in applications where training data is insufficient, they are often prone to overfitting. One effective way to alleviate this problem is…

机器学习 · 计算机科学 2016-11-03 Hao Wang , Xingjian Shi , Dit-Yan Yeung

A key appeal of the recently proposed Neural Ordinary Differential Equation (ODE) framework is that it seems to provide a continuous-time extension of discrete residual neural networks. As we show herein, though, trained Neural ODE models…

机器学习 · 计算机科学 2023-09-12 Katharina Ott , Prateek Katiyar , Philipp Hennig , Michael Tiemann

Parametric optimal control problems governed by partial differential equations (PDEs) are widely found in scientific and engineering applications. Traditional grid-based numerical methods for such problems generally require repeated…

最优化与控制 · 数学 2023-02-07 Pengfei Yin , Guangqiang Xiao , Kejun Tang , Chao Yang

The solution of systems of non-autonomous linear ordinary differential equations is crucial in a variety of applications, such us nuclear magnetic resonance spectroscopy. A new method with spectral accuracy has been recently introduced in…

数值分析 · 数学 2022-10-14 Stefano Pozza , Niel Van Buggenhout

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

机器学习 · 计算机科学 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

Physics-informed neural networks have emerged as a prominent new method for solving differential equations. While conceptually straightforward, they often suffer training difficulties that lead to relatively large discretization errors or…

数学物理 · 物理学 2024-03-13 Shivam Arora , Alex Bihlo , Francis Valiquette

Quantum computing, leveraging principles of quantum mechanics, represents a transformative approach in computational methodologies, offering significant enhancements over traditional classical systems. This study tackles the complex and…

量子物理 · 物理学 2024-05-21 Mohammadreza Soltaninia , Junpeng Zhan

Even when neural networks are widely used in a large number of applications, they are still considered as black boxes and present some difficulties for dimensioning or evaluating their prediction error. This has led to an increasing…

机器学习 · 统计学 2021-05-11 Pablo Morala , Jenny Alexandra Cifuentes , Rosa E. Lillo , Iñaki Ucar

We present a novel approach (DyNODE) that captures the underlying dynamics of a system by incorporating control in a neural ordinary differential equation framework. We conduct a systematic evaluation and comparison of our method and…

机器学习 · 计算机科学 2020-09-10 Victor M. Martinez Alvarez , Rareş Roşca , Cristian G. Fălcuţescu

In this article, a new deep learning architecture, named JDNN, has been proposed to approximate a numerical solution to Partial Differential Equations (PDEs). The JDNN is capable of solving high-dimensional equations. Here, Jacobi Deep…

As a general type of machine learning approach, artificial neural networks have established state-of-art benchmarks in many pattern recognition and data analysis tasks. Among various kinds of neural networks architectures, polynomial neural…

机器学习 · 计算机科学 2022-09-07 Chao Pan , Chuanyi Zhang

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a…

机器学习 · 计算机科学 2019-12-17 Ricky T. Q. Chen , Yulia Rubanova , Jesse Bettencourt , David Duvenaud

The great learning ability of deep learning models facilitates us to comprehend the real physical world, making learning to simulate complicated particle systems a promising endeavour. However, the complex laws of the physical world pose…

机器学习 · 计算机科学 2025-08-26 Guangsi Shi , Daokun Zhang , Ming Jin , Shirui Pan , Philip S. Yu

Differential equations are used in a wide variety of disciplines, describing the complex behavior of the physical world. Analytic solutions to these equations are often difficult to solve for, limiting our current ability to solve complex…

机器学习 · 计算机科学 2022-08-09 Ethan Mills , Alexey Pozdnyakov