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Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

Materials Science · Physics 2021-07-09 Pierre-Paul De Breuck , Geoffroy Hautier , Gian-Marco Rignanese

Shifting of objects in an image and merging many images after appropriate shifting is being used in several engineering and scientific applications which require complex perception development. A method has been presented here which could…

Computer Vision and Pattern Recognition · Computer Science 2014-07-31 T. R. Gopalakrishnan Nair , Richa Sharma

To control part quality, it is critical to analyze pore generation mechanisms, laying theoretical foundation for future porosity control. Current porosity analysis models use machine setting parameters, such as laser angle and part pose.…

Machine Learning · Computer Science 2021-01-15 Rui Liu , Sen Liu , Xiaoli Zhang

The morphology of block copolymers (BCPs) critically influences material properties and applications. This work introduces a machine learning (ML)-enabled, high-throughput framework for analyzing grazing incidence small-angle X-ray…

This study proposes an Artificial Intelligence (AI) driven methodology for predicting a combination of brazed ceramic-metal composite materials. Multiple machine learning (ML) algorithms are compared with the deep learning (DL) model. The…

Applied Physics · Physics 2025-10-14 Sunita Khod , Vinay Kamma , Ravi Kumar Verma , Mayank Goswami

Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…

Materials Science · Physics 2021-11-30 Jiadong Dan , Xiaoxu Zhao , Shoucong Ning , Jiong Lu , Kian Ping Loh , N. Duane Loh , Stephen J. Pennycook

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Materials Science · Physics 2024-06-24 Brandon K. Phan , Kuan-Hsuan Shen , Rishi Gurnani , Huan Tran , Ryan Lively , Rampi Ramprasad

Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

Materials Science · Physics 2021-11-19 Praneeth S Ramesh , Tarak K Patra

In this paper, we present a color transfer algorithm to colorize a broad range of gray images without any user intervention. The algorithm uses a machine learning-based approach to automatically colorize grayscale images. The algorithm uses…

Graphics · Computer Science 2017-04-18 Raj Kumar Gupta , Alex Yong-Sang Chia , Deepu Rajan , Huang Zhiyong

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

Scanning electron microscopy (SEM) is indispensable in diverse applications ranging from microelectronics to food processing because it provides large depth-of-field images with a resolution beyond the optical diffraction limit. However,…

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Soot is an important material with impacts that depend on particle morphology. Transmission electron microscopy (TEM) represents one of the most direct routes to qualitatively assess particle characteristics. However, producing quantitative…

Applied Physics · Physics 2022-02-01 Timothy A. Sipkens , Max Frei , Alberto Baldelli , P. Kirchen , Frank E. Kruis , Steven N. Rogak

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

Quantitative Methods · Quantitative Biology 2017-09-04 Christopher P. Calderon , Austin L. Daniels , Theodore W. Randolph

Computational material modeling using advanced numerical techniques speeds up the design process and reduces the costs of developing new engineering products. In the field of multiscale modeling, huge computation efforts are expected for…

Disordered Systems and Neural Networks · Physics 2023-01-31 Fadi Aldakheel , Celal Soyarslan , Hari Subramani Palanisamy , Elsayed Saber Elsayed

Achieving superior polymeric components through additive manufacturing (AM) relies on precise control of rheology. One key rheological property particularly relevant to AM is melt viscosity ($\eta$). Melt viscosity is influenced by polymer…

Computational Engineering, Finance, and Science · Computer Science 2025-04-25 Ayush Jain , Rishi Gurnani , Arunkumar Rajan , H. Jerry Qi , Rampi Ramprasad

Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers.…

Soft Condensed Matter · Physics 2023-08-22 Agrim Babbar , Sriram Ragunathan , Debirupa Mitra , Arnab Dutta , Tarak. K Patra

Under the semi-supervised framework, we propose an end-to-end memory-based segmentation network (MemSeg) to detect surface defects on industrial products. Considering the small intra-class variance of products in the same production line,…

Computer Vision and Pattern Recognition · Computer Science 2022-05-03 Minghui Yang , Peng Wu , Jing Liu , Hui Feng