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Recent advances in machine-learned interatomic potentials largely benefit from the atomistic representation and locally invariant many-body descriptors. It was however recently argued that including three- (or even four-) body features is…

化学物理 · 物理学 2021-10-14 Yaolong Zhang , Junfan Xia , Bin Jiang

Neural networks are a central technique in machine learning. Recent years have seen a wave of interest in applying neural networks to physical systems for which the governing dynamics are known and expressed through differential equations.…

计算物理 · 物理学 2020-01-31 M. Mattheakis , P. Protopapas , D. Sondak , M. Di Giovanni , E. Kaxiras

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

机器学习 · 统计学 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Machine Learning facilitates building a large variety of models, starting from elementary linear regression models to very complex neural networks. Neural networks are currently limited by the size of data provided and the huge…

材料科学 · 物理学 2023-08-25 Ruman Moulik , Ankita Phutela , Sajjan Sheoran , Saswata Bhattacharya

Deep neural networks (DNNs) have achieved exceptional performance across various fields by learning complex, nonlinear mappings from large-scale datasets. However, they face challenges such as high memory requirements and computational…

机器学习 · 计算机科学 2025-04-21 Callen MacPhee , Yiming Zhou , Bahram Jalali

When repeated evaluations for varying parameter configurations of a high-fidelity physical model are required, surrogate modeling techniques based on model order reduction are desired. In absence of the governing equations describing the…

机器学习 · 计算机科学 2023-06-13 Harshit Kapadia , Lihong Feng , Peter Benner

Physics-based inverse modeling techniques are typically restricted to particular research fields, whereas popular machine-learning-based ones are too data-dependent to guarantee the physical compatibility of the solution. In this paper,…

神经与进化计算 · 计算机科学 2023-01-18 Ruiyuan Kang , Dimitrios C. Kyritsis , Panos Liatsis

The finite element method (FEM) is a well-established numerical method for solving partial differential equations (PDEs). However, its mesh-based nature gives rise to substantial computational costs, especially for complex multiscale…

计算工程、金融与科学 · 计算机科学 2025-06-24 Weihang Ouyang , Yeonjong Shin , Si-Wei Liu , Lu Lu

Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

数值分析 · 数学 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

We focus here on a class of fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. We design a novel second-order fully discrete mixed finite element method to…

数值分析 · 数学 2020-08-28 Sana Keita , Abdelaziz Beljadid , Yves Bourgault

Physically Guided Neural Networks with Internal Variables are SciML tools that use only observable data for training and and have the capacity to unravel internal state relations. They incorporate physical knowledge both by prescribing the…

机器学习 · 计算机科学 2025-08-26 Rubén Muñoz-Sierra , Manuel Doblaré , Jacobo Ayensa-Jiménez

Deep learning (DL) has emerged as a tool for improving accelerated MRI reconstruction. A common strategy among DL methods is the physics-based approach, where a regularized iterative algorithm alternating between data consistency and a…

图像与视频处理 · 电气工程与系统科学 2020-07-03 Burhaneddin Yaman , Seyed Amir Hossein Hosseini , Steen Moeller , Jutta Ellermann , Kâmil Uǧurbil , Mehmet Akçakaya

Deep neural networks have evolved to become power demanding and consequently difficult to apply to small-size mobile platforms. Network parameter reduction methods have been introduced to systematically deal with the computational and…

计算机视觉与模式识别 · 计算机科学 2020-05-12 Mahdi Biparva , John Tsotsos

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

计算工程、金融与科学 · 计算机科学 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

We develop an interpolation-based modeling framework for parameter-dependent partial differential equations arising in control, inverse problems, and uncertainty quantification. The solution is discretized in the physical domain using…

数值分析 · 数学 2026-04-20 Erik Burman , Mats G. Larson , Karl Larsson , Jonatan Vallin

Traditional computational methods, such as the finite element analysis, have provided valuable insights into uncovering the underlying mechanisms of brain physical behaviors. However, precise predictions of brain physics require effective…

机器学习 · 计算机科学 2023-10-18 Jixin Hou , Nicholas Filla , Xianyan Chen , Mir Jalil Razavi , Tianming Liu , Xianqiao Wang

Deep convolutional neural networks, assisted by architectural design strategies, make extensive use of data augmentation techniques and layers with a high number of feature maps to embed object transformations. That is highly inefficient…

计算机视觉与模式识别 · 计算机科学 2021-12-21 Vittorio Mazzia , Francesco Salvetti , Marcello Chiaberge

We present an approach for the data-driven modeling of nonlinear viscoelastic materials at small strains which is based on physics-augmented neural networks (NNs) and requires only stress and strain paths for training. The model is built on…

计算工程、金融与科学 · 计算机科学 2024-01-26 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner

We develop a novel deep learning technique, termed Deep Orthogonal Decomposition (DOD), for dimensionality reduction and reduced order modeling of parameter dependent partial differential equations. The approach consists in the construction…

数值分析 · 数学 2024-05-15 Nicola Rares Franco , Andrea Manzoni , Paolo Zunino , Jan S. Hesthaven

In recent decades, the main focus of computer modeling has been on supporting the design and development of engineering prototyes, but it is now ubiquitous in non-traditional areas such as medical rehabilitation. Conventional modeling…

机器学习 · 计算机科学 2024-09-13 Jonas Kneifl , David Rosin , Oliver Röhrle , Jörg Fehr