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Learning the physical simulation on large-scale meshes with flat Graph Neural Networks (GNNs) and stacking Message Passings (MPs) is challenging due to the scaling complexity w.r.t. the number of nodes and over-smoothing. There has been…

Machine Learning · Computer Science 2026-05-27 Yadi Cao , Menglei Chai , Minchen Li , Chenfanfu Jiang

State estimation from limited sensor measurements is ubiquitously found as a common challenge in a broad range of fields including mechanics, astronomy, and geophysics. Fluid mechanics is no exception -- state estimation of fluid flows is…

Fluid Dynamics · Physics 2022-06-01 Taichi Nakamura , Koji Fukagata

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations,…

Machine Learning · Computer Science 2024-06-11 Liming Wu , Zhichao Hou , Jirui Yuan , Yu Rong , Wenbing Huang

Designing deep neural networks is an art that often involves an expensive search over candidate architectures. To overcome this for recurrent neural nets (RNNs), we establish a connection between the hidden state dynamics in an RNN and…

Machine Learning · Computer Science 2021-12-14 Tan M. Nguyen , Richard G. Baraniuk , Andrea L. Bertozzi , Stanley J. Osher , Bao Wang

Deep learning methods have gained popularity in recent years through the media and the relative ease of implementation through open source packages such as Keras. We investigate the applicability of popular recurrent neural networks in…

Applications · Statistics 2023-01-05 Andrew T. Karl , James Wisnowski , Lambros Petropoulos

The Gaussian-radial-basis function neural network (GRBFNN) has been a popular choice for interpolation and classification. However, it is computationally intensive when the dimension of the input vector is high. To address this issue, we…

Machine Learning · Computer Science 2023-08-15 Siyuan Xing , Jianqiao Sun

This paper presents an implementation of multilayer feed forward neural networks (NN) to optimize CMOS analog circuits. For modeling and design recently neural network computational modules have got acceptance as an unorthodox and useful…

Neural and Evolutionary Computing · Computer Science 2012-12-13 Mriganka Chakraborty

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive…

Machine Learning · Computer Science 2026-04-27 Naveen Raj Manoharan , Hassan Iqbal , Krishna Kumar

As a surrogate for computationally intensive meso-scale simulation of woven composites, this article presents Recurrent Neural Network (RNN) models. Leveraging the power of transfer learning, the initialization challenges and sparse data…

Materials Science · Physics 2024-07-08 Ehsan Ghane , Martin Fagerström , Mohsen Mirkhalaf

Symmetry in the parameter space of deep neural networks (DNNs) has proven beneficial for various deep learning applications. A well-known example is the permutation symmetry in Multi-Layer Perceptrons (MLPs), where permuting the rows of…

Machine Learning · Computer Science 2025-05-30 Binchi Zhang , Zaiyi Zheng , Zhengzhang Chen , Jundong Li

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister

Systems biology is an emerging interdisciplinary area of research that focuses on study of complex interactions in a biological system, such as gene regulatory networks. The discovery of gene regulatory networks leads to a wide range of…

Neural and Evolutionary Computing · Computer Science 2016-10-13 Khalid Raza , Mansaf Alam

By incorporating physical consistency as inductive bias, deep neural networks display increased generalization capabilities and data efficiency in learning nonlinear dynamic models. However, the complexity of these models generally…

Machine Learning · Computer Science 2025-03-03 Katharina Friedl , Noémie Jaquier , Jens Lundell , Tamim Asfour , Danica Kragic

Deep generative models are increasingly used for molecular discovery, with most recent approaches relying on equivariant graph neural networks (GNNs) under the assumption that explicit equivariance is essential for generating high-quality…

Machine Learning · Computer Science 2025-07-15 Ewa M. Nowara , Joshua Rackers , Patricia Suriana , Pan Kessel , Max Shen , Andrew Martin Watkins , Michael Maser

Many engineering processes can be accurately modelled using partial differential equations (PDEs), but high dimensionality and non-convexity of the resulting systems pose limitations on their efficient optimisation. In this work, a model…

Optimization and Control · Mathematics 2024-10-17 Min Tao , Panagiotis Petsagkourakis , Jie Li , Constantinos Theodoropoulos

General-purpose simulators have accelerated the development of robots. Traditional simulators based on first-principles, however, typically require full-state observability or depend on parameter search for system identification. This work…

Constrained robot motion planning is a widely used technique to solve complex robot tasks. We consider the problem of learning representations of constraints from demonstrations with a deep neural network, which we call Equality Constraint…

We introduce the framework of continuous--depth graph neural networks (GNNs). Graph neural ordinary differential equations (GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in…

Machine Learning · Computer Science 2026-04-06 Samuel Honor , Mohamed Abdelnaby , Kevin Leahy