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Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

In this work, a data-driven framework based on Phase-Field simulations data is proposed to highlight the capabilities of neural networks to ensure accurate low dimensionality reduction of simulated microstructural images and to provide…

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

Phase-field (PF) modeling is a powerful tool for simulating microstructure evolution. To overcome the high computational cost of PF in solving complex PDEs, machine learning methods such as PINNs, convLSTM have been used to predict PF…

Computational Physics · Physics 2026-01-09 Ao Zhou , Salma Zahran , Chi Chen , Zhengyang Zhang , Yanming Wang

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

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

We briefly review the state-of-the-art in phase-field modeling of microstructure evolution. The focus is placed on recent applications of phase-field simulations of solid-state microstructure evolution and solidification that have been…

Materials Science · Physics 2021-10-14 D. Tourret , H. Liu , J. LLorca

Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…

A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained…

Chemical Physics · Physics 2023-09-01 Hyun Park , Boyuan Yu , Juhae Park , Ge Sun , Emad Tajkhorshid , Juan J. de Pablo , Ludwig Schneider

Effectively modeling long spatiotemporal sequences is challenging due to the need to model complex spatial correlations and long-range temporal dependencies simultaneously. ConvLSTMs attempt to address this by updating tensor-valued states…

Machine Learning · Computer Science 2023-10-31 Jimmy T. H. Smith , Shalini De Mello , Jan Kautz , Scott W. Linderman , Wonmin Byeon

Model reduction of high-dimensional dynamical systems alleviates computational burdens faced in various tasks from design optimization to model predictive control. One popular model reduction approach is based on projecting the governing…

Dynamical Systems · Mathematics 2018-08-24 Francisco J. Gonzalez , Maciej Balajewicz

Phase-field (PF) simulation provides a powerful framework for predicting microstructural evolution but suffers from prohibitive computational costs that severely limit accessible spatiotemporal scales in practical applications. While…

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas

Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine Learning · Computer Science 2024-02-16 Gengyuan Hu , Gengchen Wei , Zekun Lou , Philip H. S. Torr , Wanli Ouyang , Han-sen Zhong , Chen Lin

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

This paper presents \textit{TopoFormer}, a novel hybrid deep learning architecture that integrates transformer-based encoders with convolutional long short-term memory (ConvLSTM) layers for the precise prediction of topographic beach…

Signal Processing · Electrical Eng. & Systems 2025-01-14 Santosh Munian , Oktay Karakuş , William Russell , Gwyn Nelson

This paper proposes a novel deep subspace clustering approach which uses convolutional autoencoders to transform input images into new representations lying on a union of linear subspaces. The first contribution of our work is to insert…

Computer Vision and Pattern Recognition · Computer Science 2020-01-24 Mohsen Kheirandishfard , Fariba Zohrizadeh , Farhad Kamangar

The crucial role of convolutional models, both as standalone vision models and backbones in foundation models, necessitates effective acceleration techniques. This paper proposes a novel method to learn semi-structured sparsity patterns for…

Machine Learning · Computer Science 2024-11-04 David A. Danhofer
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