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Prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low…

Computational Physics · Physics 2020-07-15 Ruggero Lot , Franco Pellegrini , Yusuf Shaidu , Emine Kucukbenli

The architecture of a neural network (NN) plays a critical role in determining its performance. However, there is no general closed-form function that maps between network structure and accuracy, making the process of architecture design…

Machine Learning · Computer Science 2025-07-29 Jinwook Hong

Neural networks are powerful function estimators, leading to their status as a paradigm of choice for modeling structured data. However, unlike other structured representations that emphasize the modularity of the problem -- e.g., factor…

Machine Learning · Computer Science 2022-06-20 Tsvetomila Mihaylova , Vlad Niculae , André F. T. Martins

This paper surveys the machine learning literature and presents in an optimization framework several commonly used machine learning approaches. Particularly, mathematical optimization models are presented for regression, classification,…

Optimization and Control · Mathematics 2021-01-12 Claudio Gambella , Bissan Ghaddar , Joe Naoum-Sawaya

Recent application of neural networks (NNs) to modeling interatomic interactions has shown the learning machines' encouragingly accurate performance for select elemental and multicomponent systems. In this study, we explore the possibility…

Materials Science · Physics 2017-02-08 Samad Hajinazar , Junping Shao , Aleksey N. Kolmogorov

This paper offers a new perspective on Artificial Neural Networks (ANNs) architecture. Traditional ANNs commonly use tree-like or DAG structures for simplicity, which can be preset or determined by Neural Architecture Search (NAS). Yet,…

Machine Learning · Computer Science 2025-06-05 Xinshun Liu , Yizhi Fang , Yichao Jiang

We introduce a novel approach to automatic unstructured mesh generation using machine learning to predict an optimal finite element mesh for a previously unseen problem. The framework that we have developed is based around training an…

Numerical Analysis · Mathematics 2020-04-16 Zheyan Zhang , Yongxing Wang , Peter K. Jimack , He Wang

This paper integrates deep neural networks (DNNs) into structural economic models to increase flexibility and capture rich heterogeneity while preserving interpretability. Economic structure and machine learning are complements in empirical…

Econometrics · Economics 2025-04-28 Max H. Farrell , Tengyuan Liang , Sanjog Misra

Artificial neural network (ANN) is a supervised learning algorithm, where parameters are learned by several back-and-forth iterations of passing the inputs through the network, comparing the output with the expected labels, and correcting…

Cryptography and Security · Computer Science 2021-10-13 Mohammad Sadeq Dousti

Microstructural materials design is one of the most important applications of inverse modeling in materials science. Generally speaking, there are two broad modeling paradigms in scientific applications: forward and inverse. While the…

Machine Learning · Computer Science 2021-01-27 Zijiang Yang , Dipendra Jha , Arindam Paul , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

Numerical optimization of complex systems benefits from the technological development of computing platforms in the last twenty years. Unfortunately, this is still not enough, and a large computational time is still necessary when…

Optimization and Control · Mathematics 2022-09-07 Daniele Peri

Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Materials Science · Physics 2022-08-09 Khaled Alrfou , Amir Kordijazi , Tian Zhao

Convolutional Neural Networks (CNNs) have proven to be highly effective in solving a broad spectrum of computer vision tasks, such as classification, identification, and segmentation. These methods can be deployed in both centralized and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-12 Victor Forattini Jansen , Emanuel Teixeira Martins , Yasmin Souza Lima , Flavio de Oliveira Silva , Rodrigo Moreira , Larissa Ferreira Rodrigues Moreira

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Artificial neural networks (ANNs) perform extraordinarily on numerous tasks including classification or prediction, e.g., speech processing and image classification. These new functions are based on a computational model that is enabled to…

Artificial Intelligence · Computer Science 2024-05-08 Antonio Bikić , Sayan Mukherjee

In this paper, we present a new kind of learning implementation to recognize the patterns using the concept of Mirroring Neural Network (MNN) which can extract information from distinct sensory input patterns and perform pattern recognition…

Artificial Intelligence · Computer Science 2008-12-16 Dasika Ratna Deepthi , K. Eswaran

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

Soft Condensed Matter · Physics 2022-08-17 Dan Mendels , Fabian Byléhn , Timothy W. Sirk , Juan J. de Pablo

In recent days, Artificial Neural Network (ANN) can be applied to a vast majority of fields including business, medicine, engineering, etc. The most popular areas where ANN is employed nowadays are pattern and sequence recognition, novelty…

Computer Vision and Pattern Recognition · Computer Science 2019-02-06 Md. Abu Bakr Siddique , Mohammad Mahmudur Rahman Khan , Rezoana Bente Arif , Zahidun Ashrafi

The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…

It has been a long time that computer architecture and systems are optimized for efficient execution of machine learning (ML) models. Now, it is time to reconsider the relationship between ML and systems, and let ML transform the way that…

Machine Learning · Computer Science 2022-02-25 Nan Wu , Yuan Xie