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We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

地球物理 · 物理学 2023-09-26 Krishna Kumar , Yongjin Choi

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn…

机器学习 · 计算机科学 2025-08-27 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

Computational fluid dynamics (CFD) is a specialised branch of fluid mechanics that utilises numerical methods and algorithms to solve and analyze fluid-flow problems. One promising avenue to enhance CFD is the use of quantum computing,…

量子物理 · 物理学 2025-07-01 Javier Gonzalez-Conde , Dylan Lewis , Sachin S. Bharadwaj , Mikel Sanz

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

This paper makes the first attempt to apply newly developed upwind GFDM for the meshless solution of two-phase porous flow equations. In the presented method, node cloud is used to flexibly discretize the computational domain, instead of…

数值分析 · 数学 2022-04-19 Xiang Rao , Yina Liu , Hui Zhao

Computational fluid dynamics (CFD) is a branch of fluid mechanics that uses numerical methods to solve fluid flows. The finite volume method (FVM) is an important one. In FVM, space is discretized to many grid cells. When the number of grid…

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Unsupervised graph-level anomaly detection (UGAD) has attracted increasing interest due to its widespread application. In recent studies, knowledge distillation-based methods have been widely used in unsupervised anomaly detection to…

机器学习 · 计算机科学 2024-07-02 Rui Cao , Shijie Xue , Jindong Li , Qi Wang , Yi Chang

To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…

化学物理 · 物理学 2022-10-05 Albert Hofstetter , Lennard Böselt , Sereina Riniker

Since the seminal work of [9] and their Physics-Informed neural networks (PINNs), many efforts have been conducted towards solving partial differential equations (PDEs) with Deep Learning models. However, some challenges remain, for…

机器学习 · 计算机科学 2023-11-27 Marien Chenaud , José Alves , Frédéric Magoulès

Deep neural networks are being increasingly used for short-term traffic flow prediction, which can be generally categorized as convolutional (CNNs) or graph neural networks (GNNs). CNNs are preferable for region-wise traffic prediction by…

物理与社会 · 物理学 2021-10-12 Wei Zeng , Chengqiao Lin , Kang Liu , Juncong Lin , Anthony K. H. Tung

Explainable anomaly detection methods often have the capability to identify and spatially localise anomalies within an image but lack the capability to differentiate the type of anomaly. Furthermore, they often require the costly training…

计算机视觉与模式识别 · 计算机科学 2025-12-02 Alex George , Lyudmila Mihaylova , Sean Anderson

Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn…

机器学习 · 统计学 2020-06-04 Zheng Shi , Nur Sila Gulgec , Albert S. Berahas , Shamim N. Pakzad , Martin Takáč

This paper proposes a novel Generalized Non-Standard Finite Difference (GNSFD) scheme for the numerical solution of a class of fractional partial differential equations (FrPDEs). The formulation of the method is grounded in optimization and…

数值分析 · 数学 2025-09-17 Devank Mishra , Sheerin Kayenat , Amit K. Verma

We present a framework for solving a broad class of ill-posed inverse problems governed by partial differential equations (PDEs), where the target coefficients of the forward operator are recovered through an iterative regularization scheme…

The majority of model-based learned image reconstruction methods in medical imaging have been limited to uniform domains, such as pixelated images. If the underlying model is solved on nonuniform meshes, arising from a finite element method…

图像与视频处理 · 电气工程与系统科学 2021-07-12 William Herzberg , Daniel B. Rowe , Andreas Hauptmann , Sarah J. Hamilton

In this paper, we propose an unfitted finite element method to solve PDE-constrained shape optimization problems via shape gradient flow. The shape gradient flow system consists of the state equation, the adjoint equation, the velocity…

数值分析 · 数学 2026-04-13 Wei Gong , Chuwen Ma , Ziyi Zhang

Convection-diffusion equations arise in a variety of applications such as particle transport, electromagnetics, and magnetohydrodynamics. Simulation of the convection-dominated regime for these problems, even with high-fidelity techniques,…

数值分析 · 数学 2023-05-24 James H. Adler , Casey Cavanaugh , Xiaozhe Hu , Andy Huang , Nathaniel Trask

Graph Convolution Networks (GCNs) are widely considered state-of-the-art for collaborative filtering. Although several GCN-based methods have been proposed and achieved state-of-the-art performance in various tasks, they can be…

机器学习 · 计算机科学 2023-11-22 Ke Xu , Yuanjie Zhu , Weizhi Zhang , Philip S. Yu

Physics-informed neural networks (PINNs) have shown remarkable prospects in solving forward and inverse problems involving partial differential equations (PDEs). However, PINNs still face the challenge of high computational cost in solving…

流体动力学 · 物理学 2025-01-22 Jiahao Song , Wenbo Cao , Weiwei Zhang