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Effectively predicting transonic unsteady flow over an aerofoil poses inherent challenges. In this study, we harness the power of deep neural network (DNN) models using the attention U-Net architecture. Through efficient training of these…

Fluid Dynamics · Physics 2024-03-27 Li-Wei Chen , Nils Thuerey

Forecasting power consumptions of integrated electrical, heat or gas network systems is essential in order to operate more efficiently the whole energy network. Multi-energy systems are increasingly seen as a key component of future energy…

Machine Learning · Computer Science 2025-03-11 Corneliu Arsene , Alessandra Parisio

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing…

Materials Science · Physics 2024-05-14 Peichen Zhong , Bowen Deng , Tanjin He , Zhengyan Lun , Gerbrand Ceder

Convolutional Neural Networks (CNNs) have been proven to be extremely successful at solving computer vision tasks. State-of-the-art methods favor such deep network architectures for its accuracy performance, with the cost of having massive…

Computer Vision and Pattern Recognition · Computer Science 2019-04-23 Jiahui Huang , Kshitij Dwivedi , Gemma Roig

The hydrogen trapping behaviour of metallic alloys is generally characterised using Thermal Desorption Spectroscopy (TDS). However, as an indirect method, extracting key parameters (trap binding energies and densities) remains a significant…

Machine Learning · Computer Science 2025-08-06 N. Marrani , T. Hageman , E. Martínez-Pañeda

Emerging applications such as Deep Learning are often data-driven, thus traditional approaches based on auto-tuners are not performance effective across the wide range of inputs used in practice. In the present paper, we start an…

Machine Learning · Computer Science 2022-12-12 Damiano Perri , Paolo Sylos Labini , Osvaldo Gervasi , Sergio Tasso , Flavio Vella

We tackle the challenge of predicting vibrational stability in inorganic semiconductors for high-throughput screening, an essential attribute for evaluating synthesizability alongside thermodynamic stability, frequently missing in prominent…

Materials Science · Physics 2025-12-29 M. H. Zeb , M. Z. Kabir

Deep neural networks (DNNs) are recently shown to be vulnerable to backdoor attacks, where attackers embed hidden backdoors in the DNN model by injecting a few poisoned examples into the training dataset. While extensive efforts have been…

Artificial Intelligence · Computer Science 2023-03-14 Zaixi Zhang , Qi Liu , Zhicai Wang , Zepu Lu , Qingyong Hu

Predicting physical response of an artificially structured material is of particular interest for scientific and engineering applications. Here we use deep learning to predict optical response of artificially engineered nanophotonic…

Modern functional materials consist of large molecular building blocks with significant chemical complexity which limits spectroscopic property prediction with accurate first-principles methods. Consequently, a targeted design of materials…

Chemical Physics · Physics 2021-07-14 Julia Westermayr , Reinhard J. Maurer

Convolutional Neural Networks (CNNs) are frequently and successfully used in medical prediction tasks. They are often used in combination with transfer learning, leading to improved performance when training data for the task are scarce.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-22 Marta Oliveira , Rick Wilming , Benedict Clark , Céline Budding , Fabian Eitel , Kerstin Ritter , Stefan Haufe

Prediction of toxicity levels of chemical compounds is an important issue in Quantitative Structure-Activity Relationship (QSAR) modeling. Although toxicity prediction has achieved significant progress in recent times through deep learning,…

Machine Learning · Computer Science 2019-07-22 Abdul Karim , Jaspreet Singh , Avinash Mishra , Abdollah Dehzangi , M. A. Hakim Newton , Abdul Sattar

The robotic systems continuously interact with complex dynamical systems in the physical world. Reliable predictions of spatiotemporal evolution of these dynamical systems, with limited knowledge of system dynamics, are crucial for…

Artificial Intelligence · Computer Science 2019-01-08 Yun Long , Xueyuan She , Saibal Mukhopadhyay

Machine Learning (ML) and Deep Learning (DL) based framework have evolved rapidly and generated considerable interests for predicting the properties of materials. In this work, we utilize ML-DL framework to predict the electrochemical…

This work focuses on the design of a deep learning-based autonomous driving system deployed and tested on the real-world MIT Racecar to assess its effectiveness in driving scenarios. The Deep Neural Network (DNN) translates raw image inputs…

Robotics · Computer Science 2025-04-29 Hidayet Ersin Dursun , Yusuf Güven , Tufan Kumbasar

Deep neural networks have outperformed existing machine learning models in various molecular applications. In practical applications, it is still difficult to make confident decisions because of the uncertainty in predictions arisen from…

Machine Learning · Computer Science 2019-03-21 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

Transfer learning is a promising approach to creating predictive models that incorporate simulation and experimental data into a common framework. In this technique, a neural network is first trained on a large database of simulations, then…

Plasma Physics · Physics 2024-06-19 K. D. Humbird , J. L. Peterson

Confined ion transport is involved in nanoporous ionic systems. However, it is challenging to mechanistically predict its electrical characteristics for rational system design and performance evaluation using electrical circuit model due to…

Mesoscale and Nanoscale Physics · Physics 2024-06-03 Hualin Zhan , Richard Sandberg , Fan Feng , Qinghua Liang , Ke Xie , Lianhai Zu , Dan Li , Jefferson Zhe Liu

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

The development of compact neutron sources for applications is extensive and features many approaches. Let alone ion-based approaches, several projects with different parameters exist. This article focuses on ion-based neutron production…

Instrumentation and Detectors · Physics 2023-07-13 Benedikt Schmitz , Stefan Scheuren
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