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Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

Recent research in computational imaging largely focuses on developing machine learning (ML) techniques for image reconstruction, which requires large-scale training datasets consisting of measurement data and ground-truth images. However,…

Image and Video Processing · Electrical Eng. & Systems 2023-09-26 Maximilian B. Kiss , Sophia B. Coban , K. Joost Batenburg , Tristan van Leeuwen , Felix Lucka

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

The development of new materials is a core aspect of advancement in synthesis and application for industry. There is a vast number of possible chemical permutations of the basic elements that can be explored to synthesize materials that…

Materials Science · Physics 2023-10-30 Antony A. Ayieko , Michael O. Atambo , George O. Amolo

The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on their crystal structure, synthesis routes, and measured or…

Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of…

Thin nanomaterials are key constituents of modern quantum technologies and materials research. Identifying specimens of these materials with properties required for the development of state of the art quantum devices is usually a complex…

Machine Learning (ML) is currently being exploited in numerous applications being one of the most effective Artificial Intelligence (AI) technologies, used in diverse fields, such as vision, autonomous systems, and alike. The trend…

Machine Learning · Computer Science 2024-05-31 Cristiana Bolchini , Luca Cassano , Antonio Miele

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Other Condensed Matter · Physics 2025-02-04 Gavin Nop , Micah Mundy , Durga Paudyal , Jonathan Smith

Two-dimensional (2D) crystals are attracting growing interest in various research fields such as engineering, physics, chemistry, pharmacy and biology owing to their low dimensionality and dramatic change of properties compared to the bulk…

Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging…

Materials Science · Physics 2024-11-01 Sumner B. Harris , Christopher M. Rouleau , Kai Xiao , Rama K. Vasudevan

This paper tackles two key challenges: detecting small, dense, and overlapping objects (a major hurdle in computer vision) and improving the quality of noisy images, especially those encountered in industrial environments. [1, 2]. Our focus…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Oussama Messai , Abbass Zein-Eddine , Abdelouahid Bentamou , Mickaël Picq , Nicolas Duquesne , Stéphane Puydarrieux , Yann Gavet

Accurate interatomic potentials (IAPs) are essential for modeling the potential energy surfaces (PES) that govern atomic interactions in materials. However, most existing IAPs are developed for bulk materials and often struggle to…

Two-dimensional (2D) materials and Transition Metal Dichalcogenides (TMD) in particular are at the forefront of nanotechnology. To tailor properties for engineering applications, alloying strategies used for bulk metals in the last century…

Materials Science · Physics 2022-12-14 Andrea Silva , Jiangming Cao , Tomas Polcar , Denis Kramer

Two-dimensional materials are expected to play an important role in next-generation electronics and optoelectronic devices. Recently, twisted bilayer graphene and transition metal dichalcogenides have attracted significant attention due to…

Diabetes, particularly Type 2 diabetes (T2D), poses a substantial global health burden, compounded by its associated complications such as cardiovascular diseases, kidney failure, and vision impairment. Early detection of T2D is critical…

Genomics · Quantitative Biology 2024-11-25 Aurora Lithe Roy , Md Kamrul Siam , Nuzhat Noor Islam Prova , Sumaiya Jahan , Abdullah Al Maruf

With the emergence of data-driven approaches in science, there is growing interest in their application to manufacturing, particularly in surface precision engineering. However, generating large datasets required for model training is often…

Computational Engineering, Finance, and Science · Computer Science 2026-03-31 Hadi Bakhshan , Sima Farshbaf , Adrián Travieso-Disotuar , Luciano Mijaíl Villarreal , Fernando Rastellini Canela , Josep Maria Carbonell

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

2D materials offer a large variety of optical properties, from transparency to plasmonic excitation. They can be structured and combined to form heterostructures that expand the realm of possibility to manipulate light interactions at the…

Optics · Physics 2023-09-27 Bruno Majérus , Emerick Guillaume , Pascal Kockaert , Luc Henrard