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In this project, we introduce OPESCI-FD, a Python package built on symbolic mathematics to automatically generate Finite Difference models from a high-level description of the model equations. We investigate applying this framework to…

Mathematical Software · Computer Science 2016-05-23 Tianjiao Sun

The finite element method can be viewed as a machine that automates the discretization of differential equations, taking as input a variational problem, a finite element and a mesh, and producing as output a system of discrete equations.…

Numerical Analysis · Mathematics 2011-12-05 Anders Logg

We present a new framework and associated synthesis algorithms for program synthesis over noisy data, i.e., data that may contain incorrect/corrupted input-output examples. This framework is based on an extension of finite tree automata…

Programming Languages · Computer Science 2021-03-15 Shivam Handa , Martin Rinard

An a posteriori error estimator based on an equilibrated flux reconstruction is proposed for defeaturing problems in the context of finite element discretizations. Defeaturing consists in the simplification of a geometry by removing…

Numerical Analysis · Mathematics 2023-12-27 Annalisa Buffa , Ondine Chanon , Denise Grappein , Rafael Vázquez , Martin Vohralík

This paper proposes an efficient algorithm for solving the Hartree--Fock equation combining a multilevel correction scheme with an adaptive refinement technique to improve computational efficiency. The algorithm integrates a multilevel…

Numerical Analysis · Mathematics 2025-10-14 Fei Xu

Quantum corrections significantly influence the quantities observed in modern particle physics. The corresponding theoretical computations are usually quite lengthy which makes their automation mandatory. This review reports on the current…

High Energy Physics - Phenomenology · Physics 2011-08-17 R. Harlander , M. Steinhauser

In additive manufacturing, the optimal processing conditions need to be determined to fabricate porosity-free parts. For this purpose, the design space for an arbitrary alloy needs to be scoped and analyzed to identify the areas of defects…

We present convergence results in expectation for stochastic subspace correction schemes and their accelerated versions to solve symmetric positive-definite variational problems, and discuss their potential for achieving fault tolerance in…

Numerical Analysis · Mathematics 2018-07-31 Michael Griebel , Peter Oswald

This research describes the initial effort of building a prediction model for defects in system testing carried out by an independent testing team. The motivation to have such defect prediction model is to serve as early quality indicator…

Software Engineering · Computer Science 2014-01-24 Muhammad Dhiauddin Mohamed Suffian , Suhaimi Ibrahim

Defect detection is a basic and essential task in automatic parts production, especially for automotive engine precision parts. In this paper, we propose a new idea to construct a deep convolutional network combining related knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Zhenshen Qu , Jianxiong Shen , Ruikun Li , Junyu Liu , Qiuyu Guan

Annotating bounding boxes for object detection is expensive, time-consuming, and error-prone. In this work, we propose a DETR based framework called ComplETR that is designed to explicitly complete missing annotations in partially annotated…

Computer Vision and Pattern Recognition · Computer Science 2022-09-14 Achin Jain , Kibok Lee , Gurumurthy Swaminathan , Hao Yang , Bernt Schiele , Avinash Ravichandran , Onkar Dabeer

Vision systems, i.e., systems that allow to detect and track objects in images, have gained substantial importance over the past decades. They are used in quality assurance applications, e.g., for finding surface defects in products during…

Software Engineering · Computer Science 2021-05-11 Franz Wotawa , Lorenz Klampfl , Ledio Jahaj

We present a comprehensive software framework for the finite-size security analysis of quantum random number generation (QRNG) and quantum key distribution (QKD) protocols, based on the Entropy Accumulation Theorem (EAT). Our framework…

Quantum Physics · Physics 2025-06-24 Piotr Mironowicz , Mohamed Bourennane

Conformal prediction quantifies the uncertainty of machine learning models by augmenting point predictions with valid prediction sets. For complex scenarios involving multiple trials, models, or data sources, conformal prediction sets can…

Machine Learning · Computer Science 2025-12-25 Gina Wong , Drew Prinster , Suchi Saria , Rama Chellappa , Anqi Liu

Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…

Materials Science · Physics 2024-01-30 Zi-Kui Liu

Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…

Computational Physics · Physics 2023-10-25 Yang Kuang , Yedan Shen , Guanghui Hu

Automatic program repair holds the potential of dramatically improving the productivity of programmers during the software development process and correctness of software in general. Recent advances in machine learning, deep learning, and…

Software Engineering · Computer Science 2021-09-24 Hossein Hajipour , Apratim Bhattacharyya , Cristian-Alexandru Staicu , Mario Fritz

An adaptive refinement strategy, based on an equilibrated flux a posteriori error estimator, is proposed in the context of defeaturing problems. Defeaturing consists of removing features from complex domains to simplify mesh generation and…

Numerical Analysis · Mathematics 2026-03-04 Annalisa Buffa , Denise Grappein , Rafael Vázquez

In density functional theory, charge density is the core attribute of atomic systems from which all chemical properties can be derived. Machine learning methods are promising in significantly accelerating charge density prediction, yet…

Computational Physics · Physics 2024-05-30 Xiang Fu , Andrew Rosen , Kyle Bystrom , Rui Wang , Albert Musaelian , Boris Kozinsky , Tess Smidt , Tommi Jaakkola

In this work, we developed an automatic convergence procedure for k-points and plane wave cut-off in density functional (DFT) calculations and applied it to more than 30000 materials. The computational framework for automatic convergence…

Materials Science · Physics 2019-02-20 Kamal Choudhary , Francesca Tavazza
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