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Artificial intelligence (AI) is rapidly emerging as an enabling tool for solving various complex materials design problems. This paper aims to review recent advances in AI-driven materials-by-design and their applications to energetic…

Materials Science · Physics 2023-05-12 Joseph B. Choi , Phong C. H. Nguyen , Oishik Sen , H. S. Udaykumar , Stephen Baek

Lattice structures have been widely used in various applications of additive manufacturing due to its superior physical properties. If modeled by triangular meshes, a lattice structure with huge number of struts would consume massive…

Computational Geometry · Computer Science 2021-02-02 Shengjun Liu , Tao Liu , Qiang Zou , Weiming Wang , Eugeni L. Doubrovski , Charlie C. L. Wang

Image segmentation is fundamental to microstructural analysis for defect identification and structure-property correlation, yet remains challenging due to pronounced heterogeneity in materials images arising from varied processing and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Sanjeev S. Navaratna , Nikhil Thawari , Gunashekhar Mari , Amritha V P , Murugaiyan Amirthalingam , Rohit Batra

Designing shape memory alloys (SMAs) that meet performance targets while remaining affordable and sustainable is a complex challenge. In this work, we focus on optimizing SMA compositions to achieve a desired martensitic start temperature…

Machine Learning · Computer Science 2025-08-21 S. Josyula , Y. Noiman , E. J. Payton , T. Giovannelli

In recent years, many industries have utilized machine learning (ML) models in their systems. Ideally, ML models should be trained on and applied to data from the same distributions. However, the data evolves over time in many application…

Software Engineering · Computer Science 2025-05-21 Forough Majidi , Foutse Khomh , Heng Li , Amin Nikanjam

This paper studies multiparty learning, aiming to learn a model using the private data of different participants. Model reuse is a promising solution for multiparty learning, assuming that a local model has been trained for each party.…

Machine Learning · Computer Science 2023-05-24 Anke Tang , Yong Luo , Han Hu , Fengxiang He , Kehua Su , Bo Du , Yixin Chen , Dacheng Tao

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

Current rock engineering design in drill and blast tunnelling primarily relies on engineers' observational assessments. Measure While Drilling (MWD) data, a high-resolution sensor dataset collected during tunnel excavation, is…

Machine Learning · Computer Science 2024-03-18 Tom F. Hansen , Georg H. Erharter , Zhongqiang Liu , Jim Torresen

In this paper, we develop an online basis enrichment method with the mortar mixed finite element method, using the oversampling technique, to solve for flow problems in highly heterogeneous media. We first compute a coarse grid solution…

Numerical Analysis · Mathematics 2017-10-05 Yanfang Yang , Eric T. Chung , Shubin Fu

Despite the fundamental progress in autonomous molecular and materials discovery, data scarcity throughout chemical compound space still severely hampers the use of modern ready-made machine learning models as they rely heavily on the…

Chemical Physics · Physics 2023-11-30 Dominik Lemm , Guido Falk von Rudorff , O. Anatole von Lilienfeld

Increasing digitalization enables the use of machine learning methods for analyzing and optimizing manufacturing processes. A main application of machine learning is the construction of quality prediction models, which can be used, among…

Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been…

Computational Physics · Physics 2018-12-05 Gregory Teichert , Krishna Garikipati

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Mohamed Abdallah Salem , Hamdy Ahmed Ashur , Ahmed Elshinnawy

Computational Fluid Dynamics (CFD) is a major sub-field of engineering. Corresponding flow simulations are typically characterized by heavy computational resource requirements. Often, very fine and complex meshes are required to resolve…

Machine Learning · Computer Science 2021-02-26 Keefe Huang , Moritz Krügener , Alistair Brown , Friedrich Menhorn , Hans-Joachim Bungartz , Dirk Hartmann

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Due to the brittle feature of carbon fiber reinforced plastic laminates, mechanical multi-joint within these composite components show uneven load distribution for each bolt, which weaken the strength advantage of composite laminates. In…

Machine Learning · Computer Science 2021-05-18 Cheng Qiu , Yuzi Han , Logesh Shanmugam , Fengyang Jiang , Zhidong Guan , Shanyi Du , Jinglei Yang

Machine learning techniques are powerful tools for construction of emulators for complex systems. We explore different machine learning methods and conceptual methodologies, ranging from functional approximations to dynamical…

Dynamical Systems · Mathematics 2021-01-01 Hannah Lu , Dinara Ermakova , Haruko Murakami Wainwright , Liange Zheng , Daniel M. Tartakovsky

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

We propose MatSci ML, a novel benchmark for modeling MATerials SCIence using Machine Learning (MatSci ML) methods focused on solid-state materials with periodic crystal structures. Applying machine learning methods to solid-state materials…

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han
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