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Phase-field models accurately simulate microstructure evolution, but their dependence on solving complex differential equations makes them computationally expensive. This work achieves a significant acceleration via a novel deep…

Materials Science · Physics 2025-10-30 Sachin Gaikwad , Thejas Kasilingam , Owais Ahmad , Rajdip Mukherjee , Somnath Bhowmick

This work proposes an autoencoder neural network as a non-linear generalization of projection-based methods for solving Partial Differential Equations (PDEs). The proposed deep learning architecture presented is capable of generating the…

Computational Physics · Physics 2020-06-25 Jaime Lopez Garcia , Angel Rivero Jimenez

Understanding the training dynamics of deep learning models is perhaps a necessary step toward demystifying the effectiveness of these models. In particular, how do data from different classes gradually become separable in their feature…

Machine Learning · Computer Science 2021-10-13 Jiayao Zhang , Hua Wang , Weijie J. Su

The ability to predict future states of the environment is a central pillar of intelligence. At its core, effective prediction requires an internal model of the world and an understanding of the rules by which the world changes. Here, we…

Machine Learning · Computer Science 2016-01-21 William Lotter , Gabriel Kreiman , David Cox

Physics-informed neural networks (PINNs) are an emerging technique to solve partial differential equations (PDEs). In this work, we propose a simple but effective PINN approach for the phase-field model of ferroelectric microstructure…

Materials Science · Physics 2024-09-06 Lan Shang , Sizheng Zheng , Jin Wang , Jie Wang

We propose a new approach to learning the subgrid-scale model when simulating partial differential equations (PDEs) solved by the method of lines and their representation in chaotic ordinary differential equations, based on neural ordinary…

Numerical Analysis · Mathematics 2023-04-14 Shinhoo Kang , Emil M. Constantinescu

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Statistical Mechanics · Physics 2020-06-01 Stephen Whitelam , Isaac Tamblyn

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

Machine Learning · Computer Science 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

Machine Learning · Computer Science 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

Self-supervised learning of convolutional neural networks can harness large amounts of cheap unlabeled data to train powerful feature representations. As surrogate task, we jointly address ordering of visual data in the spatial and temporal…

Computer Vision and Pattern Recognition · Computer Science 2018-07-31 Uta Büchler , Biagio Brattoli , Björn Ommer

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive.…

Machine Learning · Computer Science 2022-10-04 J. Friemann , B. Dashtbozorg , M. Fagerström , S. M. Mirkhalaf

An important goal for the machine learning (ML) community is to create approaches that can learn solutions with human-level capability. One domain where humans have held a significant advantage is visual processing. A significant approach…

Neural and Evolutionary Computing · Computer Science 2013-12-20 Phillip Verbancsics , Josh Harguess

We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…

Chemical Physics · Physics 2024-09-24 Ethan P. Shapera , Cheng-Wei Lee

Transfer learning for partial differential equations (PDEs) is to develop a pre-trained neural network that can be used to solve a wide class of PDEs. Existing transfer learning approaches require much information of the target PDEs such as…

Numerical Analysis · Mathematics 2023-01-30 Zezhong Zhang , Feng Bao , Lili Ju , Guannan Zhang

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

Partial differential equations (PDEs) play a crucial role in studying a vast number of problems in science and engineering. Numerically solving nonlinear and/or high-dimensional PDEs is often a challenging task. Inspired by the traditional…

Numerical Analysis · Mathematics 2022-01-11 Yihao Hu , Tong Zhao , Shixin Xu , Zhiliang Xu , Lizhen Lin

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…

Computational Engineering, Finance, and Science · Computer Science 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh