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This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

Disordered Systems and Neural Networks · Physics 2024-12-20 Selva Chandrasekaran Selvaraj

Recording atomic-resolution transmission electron microscopy (TEM) images is becoming increasingly routine. A new bottleneck is then analyzing this information, which often involves time-consuming manual structural identification. We have…

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Visually identifying materials is crucial for many tasks, yet material perception remains poorly understood. Distinguishing mirror from glass is particularly challenging as both materials derive their appearance from their surroundings, yet…

Computer Vision and Pattern Recognition · Computer Science 2022-03-14 Hideki Tamura , Konrad E. Prokott , Roland W. Fleming

Prediction of breakdown in disordered solids under external loading in a question of paramount importance. Here we use a fiber bundle model for disordered solids and record the time series of the avalanche sizes and energy bursts. The time…

Statistical Mechanics · Physics 2022-09-14 Diksha , Soumyajyoti Biswas

Predicting the failure and plasticity of solids remains a longstanding challenge, with broad implications for materials design and functional reliability. Disordered solids like metallic glasses can fail either abruptly or gradually without…

Materials Science · Physics 2025-07-08 Tero Mäkinen , Anshul D. S. Parmar , Silvia Bonfanti , Mikko Alava

Automated detection of software vulnerabilities is a fundamental problem in software security. Existing program analysis techniques either suffer from high false positives or false negatives. Recent progress in Deep Learning (DL) has…

Software Engineering · Computer Science 2020-09-16 Saikat Chakraborty , Rahul Krishna , Yangruibo Ding , Baishakhi Ray

Accurate predictions of the failure progression of structural materials is critical for preventing failure-induced accidents. Despite considerable mechanics modeling-based efforts, accurate prediction remains a challenging task in…

Materials Science · Physics 2022-05-19 Leslie Ching Ow Tiong , Gunjick Lee , Seok Su Sohn , Donghun Kim

Catastrophic failures of marine engines imply severe loss of functionality and destroy or damage the systems irreversibly. Being sudden and often unpredictable events, they pose a severe threat to navigation, crew, and passengers. The…

Artificial Intelligence · Computer Science 2026-03-16 Francesco Maione , Paolo Lino , Giuseppe Giannino , Guido Maione

Existing defects in software components is unavoidable and leads to not only a waste of time and money but also many serious consequences. To build predictive models, previous studies focus on manually extracting features or using tree…

Software Engineering · Computer Science 2018-02-15 Anh Viet Phan , Minh Le Nguyen , Lam Thu Bui

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

Morphological development into evolutionary patterns under structural instability is ubiquitous in living systems and often of vital importance for engineering structures. Here we propose a data-driven approach to understand and predict…

Pattern Formation and Solitons · Physics 2024-07-23 Yingjie Zhao , Zhiping Xu

Most design methods contain a forward framework, asking for primary specifications of a building to generate an output or assess its performance. However, architects urge for specific objectives though uncertain of the proper design…

Computer Vision and Pattern Recognition · Computer Science 2021-06-10 Zohreh Shaghaghian , Wei Yan

Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables…

Data Analysis, Statistics and Probability · Physics 2024-09-19 Owen Long , Benjamin Nachman

Deep learning is regarded as a promising solution for reversible steganography. There is an accelerating trend of representing a reversible steo-system by monolithic neural networks, which bypass intermediate operations in traditional…

Multimedia · Computer Science 2023-03-08 Ching-Chun Chang , Xu Wang , Sisheng Chen , Isao Echizen , Victor Sanchez , Chang-Tsun Li

To improve the performance of Intensive Care Units (ICUs), the field of bio-statistics has developed scores which try to predict the likelihood of negative outcomes. These help evaluate the effectiveness of treatments and clinical practice,…

Machine Learning · Computer Science 2019-08-23 William Caicedo-Torres , Jairo Gutierrez

DRAM failure prediction is a vital task in AIOps, which is crucial to maintain the reliability and sustainable service of large-scale data centers. However, limited work has been done on DRAM failure prediction mainly due to the lack of…

Machine Learning · Computer Science 2021-05-05 Zhiyue Wu , Hongzuo Xu , Guansong Pang , Fengyuan Yu , Yijie Wang , Songlei Jian , Yongjun Wang

Estimation of optical aberrations from volumetric intensity images is a key step in sensorless adaptive optics for 3D microscopy. Recent approaches based on deep learning promise accurate results at fast processing speeds. However,…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Debayan Saha , Uwe Schmidt , Qinrong Zhang , Aurelien Barbotin , Qi Hu , Na Ji , Martin J. Booth , Martin Weigert , Eugene W. Myers

With the rising demands for robust structural health monitoring procedures for aerospace structures, the scope of intelligent algorithms and learning techniques is expanding. Supervised algorithms have shown promising results in the field…

Signal Processing · Electrical Eng. & Systems 2023-08-11 Mahindra Rautela , Amin Maghareh , Shirley Dyke , S. Gopalakrishnan

This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…

Materials Science · Physics 2024-07-22 Pengjie Shi , Zhiping Xu