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Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Computational Physics · Physics 2016-08-02 Jeffrey M. McMahon

In this paper we derive an efficient algorithm to learn the parameters of structured predictors in general graphical models. This algorithm blends the learning and inference tasks, which results in a significant speedup over traditional…

Machine Learning · Computer Science 2013-09-02 Tamir Hazan , Alexander Schwing , David McAllester , Raquel Urtasun

The computational cost for high energy physics detector simulation in future experimental facilities is going to exceed the current available resources. To overcome this challenge, new ideas on surrogate models using machine learning…

Metasurfaces are sub-wavelength patterned layers for controlling waves in physical systems. In optics, meta-surfaces are created by materials with different dielectric constants and are capable of unconventional functionalities. We develop…

Computational Physics · Physics 2024-08-21 Chen-Di Han , Li-Li Ye , Zin Lin , Vassilios Kovanis , Ying-Cheng Lai

Mesh-based numerical solvers are an important part in many design tool chains. However, accurate simulations like computational fluid dynamics are time and resource consuming which is why surrogate models are employed to speed-up the…

Machine Learning · Computer Science 2023-07-27 Sebastian Strönisch , Maximilian Sander , Andreas Knüpfer , Marcus Meyer

To this date the safety assessment of materials, used for example in the nuclear power sector, commonly relies on a fracture mechanical analysis utilizing macroscopic concepts, where a global load quantity K or J is compared to the…

Machine Learning · Computer Science 2024-03-28 Johannes Rosenberger , Johannes Tlatlik , Sebastian Münstermann

Recently, deep learning techniques have enjoyed success in various multimedia applications, such as image classification and multi-modal data analysis. Large deep learning models are developed for learning rich representations of complex…

Machine Learning · Computer Science 2016-03-28 Wei Wang , Gang Chen , Haibo Chen , Tien Tuan Anh Dinh , Jinyang Gao , Beng Chin Ooi , Kian-Lee Tan , Sheng Wang

Modern computational methods, involving highly sophisticated mathematical formulations, enable several tasks like modeling complex physical phenomenon, predicting key properties and design optimization. The higher fidelity in these computer…

Computational Engineering, Finance, and Science · Computer Science 2023-04-13 Lele Luan , Nesar Ramachandra , Sandipp Krishnan Ravi , Anindya Bhaduri , Piyush Pandita , Prasanna Balaprakash , Mihai Anitescu , Changjie Sun , Liping Wang

Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio…

Computational Physics · Physics 2019-03-26 Michael Sluydts , Michiel Larmuseau , Johan Lauwaert , Stefaan Cottenier

Temperature field prediction is of great importance in the thermal design of systems engineering, and building the surrogate model is an effective way for the task. Generally, large amounts of labeled data are required to guarantee a good…

Machine Learning · Computer Science 2023-01-18 Yunyang Zhang , Zhiqiang Gong , Weien Zhou , Xiaoyu Zhao , Xiaohu Zheng , Wen Yao

Modeling gas flow through fractures of subsurface rock is a particularly challenging problem because of the heterogeneous nature of the material. High-fidelity simulations using discrete fracture network (DFN) models are one methodology for…

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

Modeling the dynamic behavior of deformable objects is crucial for creating realistic digital worlds. While conventional simulations produce high-quality motions, their computational costs are often prohibitive. Subspace simulation…

We propose a probe for the analysis of deep learning architectures that is based on machine learning and approximation theoretical principles. Given a deep learning architecture and a training set, during or after training, the Sparsity…

Machine Learning · Computer Science 2021-05-17 Ido Ben-Shaul , Shai Dekel

This paper proposes a high-precision semantic segmentation method based on an improved TransUNet architecture to address the challenges of complex lesion structures, blurred boundaries, and significant scale variations in skin lesion…

Image and Video Processing · Electrical Eng. & Systems 2025-08-21 Xin Wang , Xiaopei Zhang , Xingang Wang

We propose a novel deep-learning framework for super-resolution ultrasound images and videos in terms of spatial resolution and line reconstruction. We up-sample the acquired low-resolution image through a vision-based interpolation method;…

Computer Vision and Pattern Recognition · Computer Science 2023-05-03 Simone Cammarasana , Paolo Nicolardi , Giuseppe Patanè

A spatiotemporal deep learning framework is proposed that is capable of 2D full-field prediction of fracture in concrete mesostructures. This framework not only predicts fractures but also captures the entire history of the fracture…

Computational Engineering, Finance, and Science · Computer Science 2024-07-25 Rasoul Najafi Koopas , Shahed Rezaei , Natalie Rauter , Richard Ostwald , Rolf Lammering

The knowledge of potentially druggable binding sites on proteins is an important preliminary step towards the discovery of novel drugs. The computational prediction of such areas can be boosted by following the recent major advances in the…

Biomolecules · Quantitative Biology 2021-02-17 Stelios K. Mylonas , Apostolos Axenopoulos , Petros Daras

Multifidelity surrogate modelling combines data of varying accuracy and cost from different sources. It strategically uses low-fidelity models for rapid evaluations, saving computational resources, and high-fidelity models for detailed…

Machine Learning · Computer Science 2024-04-24 Daniel N Wilke

Thin film processing by means of sputter deposition inherently depends on the interaction of energetic particles with a target surface and the subsequent particle transport. The length and time scales of the underlying physical phenomena…

Plasma Physics · Physics 2023-06-13 Florian Krüger , Tobias Gergs , Jan Trieschmann
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