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It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

Artificial Intelligence · Computer Science 2023-03-27 Aparna S. Varde , Jianyu Liang

Currently, the growth of material data from experiments and simulations is expanding beyond processable amounts. This makes the development of new data-driven methods for the discovery of patterns among multiple lengthscales and time-scales…

Machine Learning · Computer Science 2020-10-14 Anke Stoll , Peter Benner

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

Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. However, these systems often exhibit complex surface…

Materials Science · Physics 2025-07-08 Lukas Hörmann , Wojciech G. Stark , Reinhard J. Maurer

Optical microscopy is an indispensable tool in life sciences research, but conventional techniques require compromises between imaging parameters like speed, resolution, field-of-view, and phototoxicity. To overcome these limitations,…

Quantitative Methods · Quantitative Biology 2024-04-01 Leonor Morgado , Estibaliz Gómez-de-Mariscal , Hannah S. Heil , Ricardo Henriques

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

Machine learning has found its way into almost every area of science and engineering, and we are only at the beginning of its exploration across fields. Being a popular, versatile and powerful framework, machine learning has proven most…

Computational Engineering, Finance, and Science · Computer Science 2022-03-15 Siddhant Kumar , Dennis M. Kochmann

Machine learning is poised as a very powerful tool that can drastically improve our ability to carry out scientific research. However, many issues need to be addressed before this becomes a reality. This article focuses on one particular…

Computational Physics · Physics 2020-06-05 Weinan E , Jiequn Han , Linfeng Zhang

The past decade has seen a remarkable series of advances in machine learning, and in particular deep learning approaches based on artificial neural networks, to improve our abilities to build more accurate systems across a broad range of…

Machine Learning · Computer Science 2019-11-14 Jeffrey Dean

Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning…

Systems and Control · Electrical Eng. & Systems 2024-12-25 Ilias Mitrai , Prodromos Daoutidis

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially…

Machine Learning · Computer Science 2024-06-21 Fátima García-Martínez , Diego Carou , Francisco de Arriba-Pérez , Silvia García-Méndez

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

Machine learning plays a role in many aspects of modern IR systems, and deep learning is applied in all of them. The fast pace of modern-day research has given rise to many different approaches for many different IR problems. The amount of…

Information Retrieval · Computer Science 2017-07-14 Tom Kenter , Alexey Borisov , Christophe Van Gysel , Mostafa Dehghani , Maarten de Rijke , Bhaskar Mitra

The characterization and analysis of microstructure is the foundation of microstructural science, connecting the materials structure to its composition, process history, and properties. Microstructural quantification traditionally involves…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Elizabeth A. Holm , Ryan Cohn , Nan Gao , Andrew R. Kitahara , Thomas P. Matson , Bo Lei , Srujana Rao Yarasi

This paper surveys the recent attempts at leveraging machine learning to solve constrained optimization problems. It focuses on surveying the work on integrating combinatorial solvers and optimization methods with machine learning…

Machine Learning · Computer Science 2021-03-31 James Kotary , Ferdinando Fioretto , Pascal Van Hentenryck , Bryan Wilder

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…

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

Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not…

Computational Physics · Physics 2024-11-08 Fedor S. Avilov , Roman A. Eremin , Semen A. Budennyy , Innokentiy S. Humonen

Artificial intelligence (AI) has become a buzz word since Google's AlphaGo beat a world champion in 2017. In the past five years, machine learning as a subset of the broader category of AI has obtained considerable attention in the research…

Geophysics · Physics 2024-10-22 Mengqi Wang , Krishna Kumar , Y. T. Feng , Tongming Qu , Min Wang

Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Materials Science · Physics 2022-11-28 Christian Düreth , Paul Seibert , Dennis Rücker , Stephanie Handford , Markus Kästner , Maik Gude