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We present a first-principles computer code package (ABACUS) that is based on density functional theory and numerical atomic basis sets. Theoretical foundations and numerical techniques used in the code are described, with focus on the…

Materials Science · Physics 2015-03-03 Pengfei Li , Xiaohui Liu , Mohan Chen , Peize Lin , Xinguo Ren , Lin Lin , Chao Yang , Lixin He

High-quality material synthesis is essential for replicating complex surface properties to create realistic scenes. Despite advances in the generation of material appearance based on analytic models, the synthesis of real-world measured…

Graphics · Computer Science 2026-03-24 Chenliang Zhou , Zheyuan Hu , Alejandro Sztrajman , Yancheng Cai , Yaru Liu , Cengiz Oztireli

Metasurfaces represent one of the most vibrant fields of modern science and technology. A metasurface is a complex electromagnetic structure, that is typically deeply subwavelength in thickness, electrically large in transverse size and…

Optics · Physics 2017-11-01 Yousef Vahabzadeh , Nima Chamanara , Karim Achouri , Christophe Caloz

We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…

Materials Science · Physics 2015-06-17 Luke Shulenburger , Thomas R. Mattsson

Heterogeneous porous materials play a crucial role in various engineering systems. Microstructure characterization and reconstruction provide effective means for modeling these materials, which are critical for conducting physical property…

Computational Physics · Physics 2025-11-19 Zhenchuan Ma , Qizhi Teng , Pengcheng Yan , Lindong Li , Kirill M. Gerke , Marina V. Karsanina , Xiaohai He

Recent advances in generative models for medical imaging have shown promise in representing multiple modalities. However, the variability in modality availability across datasets limits the general applicability of the synthetic data they…

Image and Video Processing · Electrical Eng. & Systems 2024-10-02 Sven Lüpke , Yousef Yeganeh , Ehsan Adeli , Nassir Navab , Azade Farshad

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid…

Numerical Analysis · Mathematics 2012-01-18 A. J. Roberts , Tony MacKenzie , J. E. Bunder

Sparse-view Computed Tomography (CT) image reconstruction is a promising approach to reduce radiation exposure, but it inevitably leads to image degradation. Although diffusion model-based approaches are computationally expensive and suffer…

Image and Video Processing · Electrical Eng. & Systems 2024-03-15 Hanyu Chen , Zhixiu Hao , Lin Guo , Liying Xiao

Diffusion kurtosis imaging is an extension of diffusion tensor imaging that provides scientifically and clinically valuable information about brain tissue microstructure but suffers from poor robustness to noise, especially in voxels…

Clustering is a central tool in biomedical research for discovering heterogeneous patient subpopulations, where group boundaries are often diffuse rather than sharply separated. Traditional methods produce hard partitions, whereas soft…

Methodology · Statistics 2026-01-07 Qiuyi Wu , Zihan Zhu , Anru R. Zhang

Galaxy clusters are powerful probes of astrophysics and cosmology through gravitational lensing: the clusters' mass, dominated by 85% dark matter, distorts background light. Yet, mass reconstruction lacks the scalability and large-scale…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Diego Royo , Brandon Zhao , Adolfo Muñoz , Diego Gutierrez , Katherine L. Bouman

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

Low-field to high-field MRI synthesis has emerged as a cost-effective strategy to enhance image quality under hardware and acquisition constraints, particularly in scenarios where access to high-field scanners is limited or impractical.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Zhenxuan Zhang , Peiyuan Jing , Ruicheng Yuan , Liwei Hu , Anbang Wang , Fanwen Wang , Yinzhe Wu , Kh Tohidul Islam , Zhaolin Chen , Zi Wang , Peter Lally , Guang Yang

In computed tomography (CT) reconstruction, scattering causes server quality degradation of the reconstructed CT images by introducing streaks and cupping artifacts which reduce the detectability of low contrast objects. Monte Carlo (MC)…

Image and Video Processing · Electrical Eng. & Systems 2022-02-01 Ammar Alsaffar , Steffen Kieß , Kaicong Sun , Sven Simon

We present a novel framework for rectifying occlusions and distortions in degraded texture samples from natural images. Traditional texture synthesis approaches focus on generating textures from pristine samples, which necessitate…

Graphics · Computer Science 2023-09-27 Guoqing Hao , Satoshi Iizuka , Kensho Hara , Edgar Simo-Serra , Hirokatsu Kataoka , Kazuhiro Fukui

Compared to single-source imaging systems, dual-source imaging systems equipped with two cross-distributed scanning beams significantly enhance temporal resolution and capture more comprehensive object scanning information. Nevertheless,…

Medical Physics · Physics 2025-03-19 Jianing Sun , Jigang Duan , Guangyin Li , Xu Jiang , Xing Zhao

Automated cell segmentation in microscopy images is essential for biomedical research, yet conventional methods are labor-intensive and prone to error. While deep learning-based approaches have proven effective, they often require large…

Computer Vision and Pattern Recognition · Computer Science 2024-11-20 Rüveyda Yilmaz , Kaan Keven , Yuli Wu , Johannes Stegmaier

Diffusion Tensor Imaging (DTI) is a non-invasive imaging technique that allows estimation of the location of white matter tracts in-vivo, based on the measurement of water diffusion properties. For each voxel, a second-order tensor can be…

Computer Vision and Pattern Recognition · Computer Science 2013-10-24 Miriam H. A. Bauer , Sebastiano Barbieri , Jan Klein , Jan Egger , Daniela Kuhnt , Bernd Freisleben , Horst K. Hahn , Christopher Nimsky

Limited-Angle Computed Tomography (LACT) is a challenging inverse problem where missing angular projections lead to incomplete sinograms and severe artifacts in the reconstructed images. While recent learning-based methods have demonstrated…

Image and Video Processing · Electrical Eng. & Systems 2025-07-09 Jiaqi Guo , Santiago López-Tapia

We address the challenge of novel view synthesis from only two input images under large viewpoint changes. Existing regression-based methods lack the capacity to reconstruct unseen regions, while camera-guided diffusion models often deviate…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Liudi Yang , George Eskandar , Fengyi Shen , Mohammad Altillawi , Yang Bai , Chi Zhang , Ziyuan Liu , Abhinav Valada
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