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Functional materials that enable many technological applications in our everyday lives owe their unique properties to defects that are carefully engineered and incorporated into these materials during processing. However, optimizing and…

Materials Science · Physics 2023-03-23 Sokseiha Muy , Conrad Johnston , Nicola Marzari

Interacting defect systems are ubiquitous in materials under realistic scenarios, yet gaining an atomic-level understanding of these systems from a computational perspective is challenging - it often demands substantial resources due to the…

Materials Science · Physics 2024-03-21 Hao Yu

As critical transportation infrastructure, bridges face escalating challenges from aging and deterioration, while traditional manual inspection methods suffer from low efficiency. Although 3D point cloud technology provides a new…

Computer Vision and Pattern Recognition · Computer Science 2025-09-08 Wang Wang , Mingyu Shi , Jun Jiang , Wenqian Ma , Chong Liu , Yasutaka Narazaki , Xuguang Wang

We present a method to infer a dense depth map from a color image and associated sparse depth measurements. Our main contribution lies in the design of an annealing process for determining co-visibility (occlusions, disocclusions) and the…

Computer Vision and Pattern Recognition · Computer Science 2021-08-25 Alex Wong , Xiaohan Fei , Byung-Woo Hong , Stefano Soatto

In this paper we focus on the problem of assigning uncertainties to single-point predictions generated by a deterministic model that outputs a continuous variable. This problem applies to any state-of-the-art physics or engineering models…

Machine Learning · Statistics 2020-03-12 Enrico Camporeale , Algo Carè

We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the…

Mathematical Software · Computer Science 2026-02-25 Paul Haubenwallner , Matthias Heller

We develop a rigorous error analysis for coarse-graining of defect-formation free energy. For a one-dimensional constrained atomistic system, we establish the thermodynamic limit of the defect-formation free energy and obtain explicitly the…

Numerical Analysis · Mathematics 2016-03-10 Matthew Dobson , Manh Hong Duong , Christoph Ortner

We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of forward-mode algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT…

Materials Science · Physics 2025-12-23 Niklas Frederik Schmitz , Bruno Ploumhans , Michael F. Herbst

In this paper, we propose an efficient approach for industrial defect detection that is modeled based on anomaly detection using point pattern data. Most recent works use \textit{global features} for feature extraction to summarize image…

Computer Vision and Pattern Recognition · Computer Science 2021-08-30 Ammar Mansoor Kamoona , Amirali Khodadadian Gostar , Alireza Bab-Hadiashar , Reza Hoseinnezhad

In this paper, we propose a new global geometry constraint for depth completion. By assuming depth maps often lay on low dimensional subspaces, a dense depth map can be approximated by a weighted sum of full-resolution principal depth…

Computer Vision and Pattern Recognition · Computer Science 2020-12-03 Yiran Zhong , Yuchao Dai , Hongdong Li

Nondestructive evaluation (NDE) techniques are widely used to detect flaws in critical components of systems like aircraft engines, nuclear power plants and oil pipelines in order to prevent catastrophic events. Many modern NDE systems…

Methodology · Statistics 2017-02-02 Ye Tian , Ranjan Maitra , William Q. Meeker , Stephen D. Holland

In classical inverse linear optimization, one assumes a given solution is a candidate to be optimal. Real data is imperfect and noisy, so there is no guarantee this assumption is satisfied. Inspired by regression, this paper presents a…

Optimization and Control · Mathematics 2017-06-23 Timothy C. Y. Chan , Taewoo Lee , Daria Terekhov

Software code complexity is a well-studied property to determine software component health. However, the existing code complexity metrics do not directly take into account the fault-proneness aspect of the code. We propose a metric called…

Software Engineering · Computer Science 2021-04-27 Ali Parsai , Serge Demeyer

Piecewise affine functions are widely used to approximate nonlinear and discontinuous functions. However, most, if not all existing models only deal with fitting continuous functions. In this paper, we investigate the problem of fitting a…

Optimization and Control · Mathematics 2020-01-29 Ruobing Shen , Bo Tang , Leo Liberti , Claudia D'Ambrosio , Stéphane Canu

Over the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In this approach, rather than discretizing the partial…

Numerical Analysis · Mathematics 2024-09-19 Fredrik Fryklund , Leslie Greengard , Shidong Jiang , Samuel Potter

This paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation…

Computational Physics · Physics 2021-10-04 Janek Kozicki , Anton Gladky , Klaus Thoeni

Performing density functional theory (DFT) calculations requires a careful choice of computational parameters to ensure convergence and obtain meaningful results. This represents a particularly important problem for high-throughput and…

Motivated by the desire to numerically calculate rigorous upper and lower bounds on deviation probabilities over large classes of probability distributions, we present an adaptive algorithm for the reconstruction of increasing real-valued…

Numerical Analysis · Mathematics 2021-08-12 L. Bonnet , J. -L. Akian , É. Savin , T. J. Sullivan

We describe here a library aimed at automating the solution of partial differential equations using the finite element method. By employing novel techniques for automated code generation, the library combines a high level of expressiveness…

Mathematical Software · Computer Science 2012-05-15 Anders Logg , Garth N. Wells

Estimating probability of failure in aerospace systems is a critical requirement for flight certification and qualification. Failure probability estimation involves resolving tails of probability distribution, and Monte Carlo sampling…

Numerical Analysis · Mathematics 2022-09-22 S. Ashwin Renganathan , Vishwas Rao , Ionel M. Navon