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Deep optics has emerged as a promising approach by co-designing optical elements with deep learning algorithms. However, current research typically overlooks the analysis and optimization of manufacturing and assembly tolerances. This…

Computer Vision and Pattern Recognition · Computer Science 2025-02-10 Jun Dai , Liqun Chen , Xinge Yang , Yuyao Hu , Jinwei Gu , Tianfan Xue

Topological constraint theory has become an increasingly popular tool to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. This approach reduces complex disordered…

Disordered Systems and Neural Networks · Physics 2020-06-16 Mathieu Bauchy

Here we show that a new class of glasses composed of heavy metal oxides involving transition metals (V$_\text {2}$O$_\text{}$5-TeO$_\text{2}$), can surprisingly be designed from very basic tools using topology and rigidity of their…

Materials Science · Physics 2015-06-17 Shibalik Chakraborty , P. Boolchand , M. Malki , M. Micoulaut

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

The viscosity of lead-containing glasses is of fundamental importance for the manufacturing process, and can be predicted by algorithms such as artificial neural networks. The SciGlass database was used to provide training, validation and…

Soft Condensed Matter · Physics 2022-11-22 Patrick dos Anjos , Lucas A. Quaresma , Marcelo L. P. Machado

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

Our understanding of supercooled liquids and glasses has lagged significantly behind that of simple liquids and crystalline solids. This is in part due to the many possibly relevant degrees of freedom that are present due to the disorder…

Machine Learning · Statistics 2018-08-01 Samuel S. Schoenholz

Deep optical optimization has recently emerged as a new paradigm for designing computational imaging systems using only the output image as the objective. However, it has been limited to either simple optical systems consisting of a single…

Computer Vision and Pattern Recognition · Computer Science 2024-08-08 Xinge Yang , Qiang Fu , Wolfgang Heidrich

Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…

Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven…

Materials Science · Physics 2024-02-02 Hui Zheng , Eric Sivonxay , Max Gallant , Ziyao Luo , Matthew McDermott , Patrick Huck , Kristin A. Persson

High-level shape understanding and technique evaluation on large repositories of 3D shapes often benefit from additional information known about the shapes. One example of such information is the semantic segmentation of a shape into…

Computer Vision and Pattern Recognition · Computer Science 2018-07-18 David George , Xianguha Xie , Yu-Kun Lai , Gary KL Tam

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

Most camera lens systems are designed in isolation, separately from downstream computer vision methods. Recently, joint optimization approaches that design lenses alongside other components of the image acquisition and processing pipeline…

Computer Vision and Pattern Recognition · Computer Science 2023-03-29 Geoffroi Côté , Fahim Mannan , Simon Thibault , Jean-François Lalonde , Felix Heide

Predicting material properties base on micro structure of materials has long been a challenging problem. Recently many deep learning methods have been developed for material property prediction. In this study, we propose a crystal…

Materials Science · Physics 2022-11-22 Xiangrui Yang

Being able to predict the failure of materials based on structural information is a fundamental issue with enormous practical and industrial relevance for the monitoring of devices and components. Thanks to recent advances in deep learning,…

Various combinations of characteristic temperatures, such as the glass transition temperature, liquidus temperature, and crystallization temperature, have been proposed as predictions of the glass forming ability of metal alloys. We have…

Density is one of the most commonly measured or estimated materials properties, especially for glasses and melts that are of significant interest to many fields, including metallurgy, geology, materials science and sustainable cements.…

Materials Science · Physics 2022-09-07 Kai Gong , Elsa Olivetti