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Microstructure plays a critical role in determining the macroscopic properties of materials, with applications spanning alloy design, MEMS devices, and tissue engineering, among many others. Computational frameworks have been developed to…

Computational Engineering, Finance, and Science · Computer Science 2024-09-24 Nikita Kartashov , Nikolaos N. Vlassis

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

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

Synthesizing new materials efficiently is highly demanded in various research fields. However, this process is usually slow and expensive, especially for metallic glasses, whose formation strongly depends on the optimal combinations of…

Machine Learning · Computer Science 2025-11-18 K. -C. Ouyang , S. -Y. Zhang , S. -L. Liu , J. Tian , Y. -H. Li , H. Tong , H. -Y. Bai , W. -H. Wang , Y. -C. Hu

Many types of data from fields including natural language processing, computer vision, and bioinformatics, are well represented by discrete, compositional structures such as trees, sequences, or matchings. Latent structure models are a…

Machine Learning · Computer Science 2026-02-04 Vlad Niculae , Caio F. Corro , Nikita Nangia , Tsvetomila Mihaylova , André F. T. Martins

Visual design is associated with the use of some basic design elements and principles. Those are applied by the designers in the various disciplines for aesthetic purposes, relying on an intuitive and subjective process. Thus, numerical…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Gozdenur Demir , Asli Cekmis , Vahit Bugra Yesilkaynak , Gozde Unal

This is a lecture note for the course DS-GA 3001 <Natural Language Understanding with Distributed Representation> at the Center for Data Science , New York University in Fall, 2015. As the name of the course suggests, this lecture note…

Computation and Language · Computer Science 2015-11-26 Kyunghyun Cho

Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

Biological neural networks are shaped both by evolution across generations and by individual learning within an organism's lifetime, whereas standard artificial neural networks undergo a single, large training procedure without inherited…

Machine Learning · Computer Science 2025-05-01 Klemen Kotar , Greta Tuckute

The ongoing deep learning revolution has allowed computers to outclass humans in various games and perceive features imperceptible to humans during classification tasks. Current machine learning techniques have clearly distinguished…

Robotics · Computer Science 2023-06-07 Joshua Paul Powers

Learning to change shape is a fundamental strategy of adaptation and evolution of living organisms, from bacteria and cells to tissues and animals. Human-made materials can also exhibit advanced shape morphing capabilities, but lack the…

Soft Condensed Matter · Physics 2025-10-31 Yao Du , Ryan van Mastrigt , Jonas Veenstra , Corentin Coulais

Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven…

Materials Science · Physics 2021-03-17 Daniel R. Cassar , Gisele G. dos Santos , Edgar D. Zanotto

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the…

Machine Learning · Computer Science 2021-07-20 Pascal Friederich , Mario Krenn , Isaac Tamblyn , Alan Aspuru-Guzik

Taking inspiration from biological evolution, we explore the idea of "Can deep neural networks evolve naturally over successive generations into highly efficient deep neural networks?" by introducing the notion of synthesizing new highly…

Computer Vision and Pattern Recognition · Computer Science 2017-02-08 Mohammad Javad Shafiee , Akshaya Mishra , Alexander Wong

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a…

Graphics · Computer Science 2026-01-09 Prashant Govindarajan , Davide Baldelli , Jay Pathak , Quentin Fournier , Sarath Chandar

Evolution in time-varying environments naturally leads to adaptable biological systems that can easily switch functionalities. Advances in the synthesis of environmentally-responsive materials therefore open up the possibility of creating a…

This review explores the innovative design to achieve advanced optical functions in natural materials and intricate optical systems inspired by the unique refractive index profiles found in nature. By understanding the physical principles…

Biological Physics · Physics 2025-04-16 Jiale Huang , Zihao Ou

Biological plastic neural networks are systems of extraordinary computational capabilities shaped by evolution, development, and lifetime learning. The interplay of these elements leads to the emergence of adaptive behavior and…

Neural and Evolutionary Computing · Computer Science 2018-08-09 Andrea Soltoggio , Kenneth O. Stanley , Sebastian Risi
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