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Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…

In the past few decades, the life sciences have experienced an unprecedented accumulation of data, ranging from genomic sequences and proteomic profiles to heavy-content imaging, clinical assays, and commercial biological products for…

Databases · Computer Science 2025-09-22 Rosalia Moreddu

Volumetric design, also called massing design, is the first and critical step in professional building design which is sequential in nature. As the volumetric design process requires careful design decisions and iterative adjustments, the…

Machine Learning · Computer Science 2025-04-10 Md Ferdous Alam , Yi Wang , Chin-Yi Cheng , Jieliang Luo

Important variables of processes are often categorical, i.e. names or labels representing, e.g. categories of inputs, or types of reactors or a sequence of steps. In this work, we use Natural Language Processing Models to derive embeddings…

This paper presents a new data-driven finite element framework that is applicable to a broad range of engineering simulation problems. In the data-driven approach, the conservation laws and boundary conditions are satisfied by means of the…

Computational Engineering, Finance, and Science · Computer Science 2025-09-09 Adriana Kuliková , Andrei G. Shvarts , Łukasz Kaczmarczyk , Chris J. Pearce

This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered,…

Materials Science · Physics 2020-07-08 Rickard Armiento

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

Data-Driven Computational Mechanics is a novel computing paradigm that enables the transition from standard data-starved approaches to modern data-rich approaches. At this early stage of development, one can distinguish two mainstream…

Numerical Analysis · Mathematics 2019-10-29 Cristian Guillermo Gebhardt , Dominik Schillinger , Marc Christian Steinbach , Raimund Rolfes

Until recently, research into the sustainable design of interactive systems has primarily focused on the direct material impact of a system, through improving its energy efficiency and optimizing its lifecycle. Yet the way a system is…

Human-Computer Interaction · Computer Science 2024-01-17 Laetitia Bornes , Catherine Letondal , Rob Vingerhoeds

While automated experiments and high-throughput methods are becoming more mainstream in the age of data, empowering individual researchers to capture, collate, and contextualize their data faster and more reproducibly still remains a…

Computers and Society · Computer Science 2020-07-30 Ha-Kyung Kwon , Chirranjeevi Balaji Gopal , Jared Kirschner , Santiago Caicedo , Brian D. Storey

Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help identify or, in the case of generative models, even create…

Materials Science · Physics 2022-07-28 Victor Fung , Shuyi Jia , Jiaxin Zhang , Sirui Bi , Junqi Yin , P. Ganesh

The study of plasma physics under conditions of extreme temperatures, densities and electromagnetic field strengths is significant for our understanding of astrophysics, nuclear fusion and fundamental physics. These extreme physical systems…

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

Data-driven approaches have revolutionized the design and optimization of photonic metadevices by harnessing advanced artificial intelligence methodologies. This review takes a model-centric perspective that synthesizes emerging design…

Optical imaging technologies are central to discovery in the life and physical sciences, yet their impact depends on how readily they can be built, adapted, and sustained across laboratories. Digital fabrication, including desktop 3D…

The recent surge in the adoption of machine learning techniques for materials design, discovery, and characterization has resulted in an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we…

Materials Science · Physics 2021-05-21 Arun Baskaran , Elizabeth J. Kautz , Aritra Chowdhary , Wufei Ma , Bulent Yener , Daniel J. Lewis

Nowadays, interest in combining mathematical knowledge about phenomena and data from the physical system is growing. Past research was devoted to developing so-called high-fidelity models, intending to make them able to catch most of the…

Numerical Analysis · Mathematics 2025-02-20 Stefano Riva , Carolina Introini , Antonio Cammi

Generative systems have a significant potential to synthesize innovative design alternatives. Still, most of the common systems that have been adopted in design require the designer to explicitly define the specifications of the procedures…

Machine Learning · Computer Science 2019-04-03 Ardavan Bidgoli , Pedro Veloso

There has been rapidly growing demand of polymeric materials coming from different aspects of modern life because of the highly diverse physical and chemical properties of polymers. Polymer informatics is an interdisciplinary research field…

Soft Condensed Matter · Physics 2020-10-16 Stephen Wu , Hironao Yamada , Yoshihiro Hayashi , Massimiliano Zamengo , Ryo Yoshida

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss
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