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Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang

Despite well-known limitations of Reynolds-averaged Navier-Stokes (RANS) simulations, this methodology remains the most widely used tool for predicting many turbulent flows, due to computational efficiency. Machine learning is a promising…

Fluid Dynamics · Physics 2022-03-14 Ryley McConkey , Eugene Yee , Fue-Sang Lien

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlenecks due to the explicit construction of geometric features…

Machine Learning · Computer Science 2026-01-26 Lin Huang , Chengxiang Huang , Ziang Wang , Yiyue Du , Chu Wang , Haocheng Lu , Yunyang Li , Xiaoli Liu , Arthur Jiang , Jia Zhang

This work introduces a novel data-driven framework to formulate explicit algebraic Reynolds-averaged Navier-Stokes (RANS) turbulence closures. Recent years have witnessed a blossom in applying machine learning (ML) methods to revolutionize…

Fluid Dynamics · Physics 2023-01-24 Hongwei Tang , Yan Wang , Tongguang Wang , Linlin Tian

Symmetry-aware architectures are central to geometric deep learning. We present a systematic approach for constructing continuous rotationally invariant and equivariant functions using symmetric tensor networks. The proposed framework…

Machine Learning · Computer Science 2026-02-03 Meng Zhang , Chao Wang , Hao Zhang , Shaojun Dong , Lixin He

The weights of a deep neural network model are optimized in conjunction with the governing flow equations to provide a model for sub-grid-scale stresses in a temporally developing plane turbulent jet at Reynolds number $Re_0=6\,000$. The…

Fluid Dynamics · Physics 2023-03-23 Jonathan F. MacArt , Justin Sirignano , Jonathan B. Freund

Anisotropic material properties, such as the thermal conductivities of engineering composites, exhibit variability due to inherent material heterogeneity and manufacturing-related uncertainties. Mathematically, these properties are modeled…

Computational Engineering, Finance, and Science · Computer Science 2025-08-08 Wouter J. Schuttert , Mohammed Iqbal Abdul Rasheed , Bojana Rosić

Constitutive laws relate fluid stress to deformation and underpin predictions of non-Newtonian behavior in industrial and biological fluids. Standard characterization relies on measurements in idealized flows that often miss physics…

In the present paper a new data-driven model is proposed to close and increase accuracy of RANS equations. The divergence of the Reynolds Stress Tensor (RST) is obtained through a Neural Network (NN) whose architecture and input choice…

Fluid Dynamics · Physics 2022-10-19 Stefano Berrone , Davide Oberto

Partial differential equations (PDEs) play a dominant role in the mathematical modeling of many complex dynamical processes. Solving these PDEs often requires prohibitively high computational costs, especially when multiple evaluations must…

Machine Learning · Computer Science 2022-09-07 Muhammad I. Zafar , Jiequn Han , Xu-Hui Zhou , Heng Xiao

Direct numerical simulation (DNS) is very accurate however, the computational cost increases significantly with the increase in Reynolds number. On the other hand, we have the Reynolds Averaged Navier Stokes (RANS) method for simulating…

Fluid Dynamics · Physics 2023-01-12 Manthan Mahajan , Nitin Kumar , Deep Shikha , Vamsi K Chalamalla , Sawan S Sinha

Incomplete point clouds captured by 3D sensors often result in the loss of both geometric and semantic information. Most existing point cloud completion methods are built on rotation-variant frameworks trained with data in canonical poses,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Zhifan Ni , Eckehard Steinbach

In the present work, a hyperelastic constitutive model based on neural networks is proposed which fulfills all common constitutive conditions by construction, and in particular, is applicable to compressible material behavior. Using…

Computational Engineering, Finance, and Science · Computer Science 2023-07-07 Lennart Linden , Dominik K. Klein , Karl A. Kalina , Jörg Brummund , Oliver Weeger , Markus Kästner

A novel machine learning algorithm is presented, serving as a data-driven turbulence modeling tool for Reynolds Averaged Navier-Stokes (RANS) simulations. This machine learning algorithm, called the Tensor Basis Random Forest (TBRF), is…

Fluid Dynamics · Physics 2020-04-20 Mikael L. A. Kaandorp , Richard P. Dwight

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

We introduce tensor field neural networks, which are locally equivariant to 3D rotations, translations, and permutations of points at every layer. 3D rotation equivariance removes the need for data augmentation to identify features in…

Machine Learning · Computer Science 2018-05-22 Nathaniel Thomas , Tess Smidt , Steven Kearnes , Lusann Yang , Li Li , Kai Kohlhoff , Patrick Riley

We introduce compositional tensor trains (CTTs) for the approximation of multivariate functions, a class of models obtained by composing low-rank functions in the tensor-train format. This format can encode standard approximation tools,…

Numerical Analysis · Mathematics 2025-12-23 Martin Eigel , Charles Miranda , Anthony Nouy , David Sommer

Variational Autoencoders (VAEs), as a form of deep generative model, have been widely used in recent years, and shown great great peformance in a number of different domains, including image generation and anomaly detection, etc.. This…

Machine Learning · Computer Science 2024-08-28 Liang Cheng , Peiyuan Guan , Amir Taherkordi , Lei Liu , Dapeng Lan

Despite their well-known limitations, RANS models remain the most commonly employed tool for modeling turbulent flows in engineering practice. RANS models are predicated on the solution of the RANS equations, but these equations involve an…

Fluid Dynamics · Physics 2020-04-22 Eric L. Peters , Riccardo Balin , Kenneth E. Jansen , Alireza Doostan , John A. Evans