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The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that…

机器学习 · 计算机科学 2023-10-31 Guillem Simeon , Gianni de Fabritiis

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

机器学习 · 计算机科学 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Deep neural networks (NNs) encounter scalability limitations when confronted with a vast array of neurons, thereby constraining their achievable network depth. To address this challenge, we propose an integration of tensor networks (TN)…

无序系统与神经网络 · 物理学 2024-08-20 Saeed S. Jahromi , Roman Orus

In this paper we propose a model that combines the strengths of RNNs and SGVB: the Variational Recurrent Auto-Encoder (VRAE). Such a model can be used for efficient, large scale unsupervised learning on time series data, mapping the time…

机器学习 · 统计学 2015-06-16 Otto Fabius , Joost R. van Amersfoort

Elasticity images map biomechanical properties of soft tissues to aid in the detection and diagnosis of pathological states. In particular, quasi-static ultrasonic (US) elastography techniques use force-displacement measurements acquired…

机器学习 · 计算机科学 2018-09-13 Cameron Hoerig , Jamshid Ghaboussi , Michael F. Insana

We propose a data-driven, closure model for Reynolds-averaged Navier-Stokes (RANS) simulations that incorporates aleatoric, model uncertainty. The proposed closure consists of two parts. A parametric one, which utilizes previously proposed,…

流体动力学 · 物理学 2024-04-16 Atul Agrawal , Phaedon-Stelios Koutsourelakis

A local artificial neural network (LANN) framework is developed for turbulence modeling. The Reynolds-averaged Navier-Stokes (RANS) unclosed terms are reconstructed by artificial neural network (ANN) based on the local coordinate system…

流体动力学 · 物理学 2021-09-08 Chenyue Xie , Xiangming Xiong , Jianchun Wang

The pressure strain correlation plays a critical role in the Reynolds stress transport modelling. Accurate modelling of the pressure strain correlation leads to proper prediction of turbulence stresses and subsequently the other terms of…

流体动力学 · 物理学 2021-03-02 J P Panda , H V Warrior

We present the Cholesky-factored symmetric positive definite neural network (SPD-NN) for modeling constitutive relations in dynamical equations. Instead of directly predicting the stress, the SPD-NN trains a neural network to predict the…

数值分析 · 数学 2021-02-03 Kailai Xu , Daniel Z. Huang , Eric Darve

In the recent application of scientific modeling, machine learning models are largely applied to facilitate computational simulations of fluid systems. Rotation symmetry is a general property for most symmetric fluid systems. However, in…

计算工程、金融与科学 · 计算机科学 2020-05-12 Liyao Gao , Yifan Du , Hongshan Li , Guang Lin

Accurate constitutive models of soft materials are crucial for understanding their mechanical behavior and ensuring reliable predictions in the design process. To this end, scientific machine learning research has produced flexible and…

计算工程、金融与科学 · 计算机科学 2025-03-04 Adrian Buganza Tepole , Asghar Jadoon , Manuel Rausch , Jan N. Fuhg

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

软凝聚态物质 · 物理学 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Data-driven methods for improving turbulence modeling in Reynolds-Averaged Navier-Stokes (RANS) simulations have gained significant interest in the computational fluid dynamics community. Modern machine learning algorithms have opened up a…

流体动力学 · 物理学 2019-02-05 Nicholas Geneva , Nicholas Zabaras

Neural networks that are equivariant to rotations, translations, reflections, and permutations on n-dimensional geometric space have shown promise in physical modeling for tasks such as accurately but inexpensively modeling complex…

机器学习 · 计算机科学 2023-01-25 Yuanqing Wang , John D. Chodera

Quantum Recurrent Neural Networks (QRNNs) are robust candidates for modelling and predicting future values in multivariate time series. However, the effective implementation of some QRNN models is limited by the need for mid-circuit…

量子物理 · 物理学 2025-01-31 José Daniel Viqueira , Daniel Faílde , Mariamo M. Juane , Andrés Gómez , David Mera

Data-driven techniques have improved the accuracy of Reynolds-averaged Navier-Stokes (RANS) models in fluid dynamics. However, modeling separated flows remains challenging due to their complex physics and sensitivity to local conditions.…

流体动力学 · 物理学 2025-11-19 Ali Eidi , Tyler Buchanan , Letian Jiang , Richard P. Dwight

We introduce the Convolutional Conditional Neural Process (ConvCNP), a new member of the Neural Process family that models translation equivariance in the data. Translation equivariance is an important inductive bias for many learning…

This paper presents an adaptive convolutional neural network (CNN) architecture that can automate diverse topology optimization (TO) problems having different underlying physics. The architecture uses the encoder-decoder networks with dense…

计算工程、金融与科学 · 计算机科学 2025-09-10 Khaish Singh Chadha , Prabhat Kumar

This study introduces simple yet effective continuous- and discrete-variable quantum neural network (QNN) models as a transfer-learning approach for forecasting tasks. The CV-QNN features a single quantum layer with two qubits to establish…

机器学习 · 计算机科学 2025-03-26 Ismael Abdulrahman

Convolution Neural Networks (CNN) are well-suited to model the nonlinear relationship between the microscale geometry of porous media and the corresponding flow distribution, thereby accurately and efficiently coupling the flow behavior at…

流体动力学 · 物理学 2023-12-25 Vishal Srikanth , Andrey V. Kuznetsov