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Despite the promise of scientific machine learning (SciML) in combining data-driven techniques with mechanistic modeling, existing approaches for incorporating hard constraints in neural differential equations (NDEs) face significant…

Machine Learning · Computer Science 2025-05-28 Avik Pal , Alan Edelman , Christopher Rackauckas

We present our ongoing work aimed at accelerating a particle-resolved direct numerical simulation model designed to study aerosol-cloud-turbulence interactions. The dynamical model consists of two main components - a set of fluid dynamics…

Neural Ordinary Differential Equations (NODEs) are a novel neural architecture, built around initial value problems with learned dynamics which are solved during inference. Thought to be inherently more robust against adversarial…

Machine Learning · Computer Science 2023-03-10 Mustafa Zeqiri , Mark Niklas Müller , Marc Fischer , Martin Vechev

We integrate neural operators with diffusion models to address the spectral limitations of neural operators in surrogate modeling of turbulent flows. While neural operators offer computational efficiency, they exhibit deficiencies in…

Machine Learning · Computer Science 2025-02-14 Vivek Oommen , Aniruddha Bora , Zhen Zhang , George Em Karniadakis

Deep neural networks are powerful tools for solving nonlinear problems in science and engineering, but training highly accurate models becomes challenging as problem complexity increases. Non-convex optimization and sensitivity to…

Machine Learning · Computer Science 2026-04-20 Ethan Mulle , Wei Kang , Qi Gong

Physics Informed Neural Networks is a numerical method which uses neural networks to approximate solutions of partial differential equations. It has received a lot of attention and is currently used in numerous physical and engineering…

Numerical Analysis · Mathematics 2025-07-10 Dimitrios Gazoulis , Ioannis Gkanis , Charalambos G. Makridakis

Deep Neural Networks (DNN) represent a performance-hungry application. Floating-Point (FP) and custom floating-point-like arithmetic satisfies this hunger. While there is need for speed, inference in DNNs does not seem to have any need for…

Machine Learning · Computer Science 2020-02-11 Christoph Lauter , Anastasia Volkova

Physics-informed neural networks and operator networks have shown promise for effectively solving equations modeling physical systems. However, these networks can be difficult or impossible to train accurately for some systems of equations.…

Machine Learning · Computer Science 2023-11-22 Amanda A Howard , Sarah H Murphy , Shady E Ahmed , Panos Stinis

Mesh-based simulations provide high-fidelity solutions to partial differential equations (PDEs), but achieving such accuracy typically requires fine meshes, leading to substantial computational overhead. Super-resolution techniques aim to…

Machine Learning · Computer Science 2026-05-12 Jiyeon Kim , Youngjoon Hong , Won-Yong Shin

Nonlinear PDE solvers require fine space-time discretizations and local linearizations, leading to high memory cost and slow runtimes. Neural operators such as FNOs and DeepONets offer fast single-shot inference by learning…

Machine Learning · Computer Science 2025-10-23 Yifei Sun

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

Deep neural network models have shown a great potential in accelerating the simulation of fluid dynamic systems. Once trained, these models can make inference within seconds, thus can be extremely efficient. However, they suffer from a…

Fluid Dynamics · Physics 2022-02-23 Wenhui Peng , Zelong Yuan , Jianchun Wang

The notion of an Evolutional Deep Neural Network (EDNN) is introduced for the solution of partial differential equations (PDE). The parameters of the network are trained to represent the initial state of the system only, and are…

Computational Physics · Physics 2021-10-13 Yifan Du , Tamer A. Zaki

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

Ordinary and partial differential equations (ODEs/PDEs) play a paramount role in analyzing and simulating complex dynamic processes across all corners of science and engineering. In recent years machine learning tools are aspiring to…

Machine Learning · Computer Science 2021-06-11 Sifan Wang , Paris Perdikaris

A computed approximation of the solution operator to a system of partial differential equations (PDEs) is needed in various areas of science and engineering. Neural operators have been shown to be quite effective at predicting these…

Machine Learning · Computer Science 2024-12-02 Zan Ahmad , Shiyi Chen , Minglang Yin , Avisha Kumar , Nicolas Charon , Natalia Trayanova , Mauro Maggioni

Unlike conventional grid and mesh based methods for solving partial differential equations (PDEs), neural networks have the potential to break the curse of dimensionality, providing approximate solutions to problems where using classical…

Machine Learning · Computer Science 2023-09-01 Marc Finzi , Andres Potapczynski , Matthew Choptuik , Andrew Gordon Wilson

Stiff differential equations are prevalent in various scientific domains, posing significant challenges due to the disparate time scales of their components. As computational power grows, physics-informed neural networks (PINNs) have led to…

Machine Learning · Computer Science 2025-01-30 Emilien Seiler , Wanzhou Lei , Pavlos Protopapas

This paper presents a method for modeling transient fluid flow in subsurface reservoir systems based on the developed neural operator architecture (TFNO-opt). Reservoir systems are complex dynamic objects with distributed parameters…

Machine Learning · Computer Science 2025-10-21 Daniil D. Sirota , Sergey A. Khan , Sergey L. Kostikov , Kirill A. Butov

Optimal control problems with nonsmooth objectives and nonlinear partial differential equation (PDE) constraints are challenging, mainly because of the underlying nonsmooth and nonconvex structures and the demanding computational cost for…

Optimization and Control · Mathematics 2025-04-25 Yongcun Song , Xiaoming Yuan , Hangrui Yue , Tianyou Zeng