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Elasticity is one of the most fundamental mechanical properties of solid. In high-throughput design of advanced materials, there is an imperative demand for the capability to quickly calculate and screen a massive pool of candidate…

Materials Science · Physics 2022-10-05 Hao Wang , Y. C. Gan , Hua Y. Geng , Xiang-Rong Chen

Exploiting the properties of quantum information to the benefit of machine learning models is perhaps the most active field of research in quantum computation. This interest has supported the development of a multitude of software…

Quantum Physics · Physics 2023-10-24 Francesco Di Marcantonio , Massimiliano Incudini , Davide Tezza , Michele Grossi

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Automated assembly of 3D fractures is essential in orthopedics, archaeology, and our daily life. This paper presents Jigsaw, a novel framework for assembling physically broken 3D objects from multiple pieces. Our approach leverages…

Computer Vision and Pattern Recognition · Computer Science 2023-10-30 Jiaxin Lu , Yifan Sun , Qixing Huang

We propose an effective and flexible way to assemble finite element stiffness and mass matrices in MATLAB. We apply this for problems discretized by edge finite elements. Typical edge finite elements are Raviart-Thomas elements used in…

Mathematical Software · Computer Science 2015-05-12 Immanuel Anjam , Jan Valdman

The scaled boundary finite element method (SBFEM) is a semi-analytical computational scheme, which is based on the characteristics of the finite element method (FEM) and combines the advantages of the boundary element method (BEM). This…

Numerical Analysis · Mathematics 2024-10-22 Yang Yang , Zongliang Zhang , Yelin Feng

The development of new superconducting circuits and the improvement of existing ones rely on the accurate modeling of spectral properties which are key to achieving the needed advances in qubit performance. Systematic circuit analysis at…

Quantum Physics · Physics 2023-02-07 Sai Pavan Chitta , Tianpu Zhao , Ziwen Huang , Ian Mondragon-Shem , Jens Koch

Convex optimization is an essential tool for machine learning, as many of its problems can be formulated as minimization problems of specific objective functions. While there is a large variety of algorithms available to solve convex…

Machine Learning · Computer Science 2016-12-28 Nathanael Perraudin , Vassilis Kalofolias , David Shuman , Pierre Vandergheynst

In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…

Materials Science · Physics 2011-11-08 J. Novák , Ł. Kaczmarczyk , P. Grassl , J. Zeman , C. J. Pearce

Characterizing microstructure-material-property relations calls for software tools which extract point-cloud- and continuum-scale-based representations of microstructural objects. Application examples include atom probe, electron, and…

We present a novel finite element analysis of inelastic structures containing Shape Memory Alloys (SMAs). Phenomenological constitutive models for SMAs lead to material nonlinearities, that require substantial computational effort to…

Computational Engineering, Finance, and Science · Computer Science 2022-01-05 Ziliang Kang , Daniel A. Tortorelli , Kai A. James

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

This paper studies the Craig variant of the Golub-Kahan bidiagonalization algorithm as an iterative solver for linear systems with saddle point structure. Such symmetric indefinite systems in 2x2 block form arise in many applications, but…

Computational Engineering, Finance, and Science · Computer Science 2018-08-24 Mario Arioli , Carola Kruse , Ulrich Ruede , Nicolas Tardieu

We present BiqBin, an exact solver for linearly constrained binary quadratic problems. Our approach is based on an exact penalty method to first efficiently transform the original problem into an instance of Max-Cut, and then to solve the…

Optimization and Control · Mathematics 2022-08-15 Nicolò Gusmeroli , Timotej Hrga , Borut Lužar , Janez Povh , Melanie Siebenhofer , Angelika Wiegele

We present the software library libCreme which we have previously used to successfully calculate convex-roof entanglement measures of mixed quantum states appearing in realistic physical systems. Evaluating the amount of entanglement in…

Quantum Physics · Physics 2015-05-28 Beat Röthlisberger , Jörg Lehmann , Daniel Loss

We have developed a simulation technique that uses non-linear finite element analysis and elastic fracture mechanics to compute physically plausible motion for three-dimensional, solid objects as they break, crack, or tear. When these…

Graphics · Computer Science 2023-03-21 James F. O'Brien , Jessica K. Hodgins

PAWS is a tool to analyse the behaviour of weighted automata and conditional transition systems. At its core PAWS is based on a generic implementation of algorithms for checking language equivalence in weighted automata and bisimulation in…

Formal Languages and Automata Theory · Computer Science 2017-07-14 Barbara König , Sebastian Küpper , Christina Mika

Utilising quantum computing technology to enhance artificial intelligence systems is expected to improve training and inference times, increase robustness against noise and adversarial attacks, and reduce the number of parameters without…

Software Engineering · Computer Science 2024-12-18 Mykhailo Klymenko , Thong Hoang , Xiwei Xu , Zhenchang Xing , Muhammad Usman , Qinghua Lu , Liming Zhu

We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inference. The framework is based on state-of-the-art AI models…

Materials Science · Physics 2023-08-16 Hyun Park , Ruijie Zhu , E. A. Huerta , Santanu Chaudhuri , Emad Tajkhorshid , Donny Cooper

The quasistatic, Prandtl-Reuss perfect plasticity at small strains is combined with a gradient, reversible (i.e. admitting healing) damage which influences both the elastic moduli and the yield stress. Existence of weak solutions of the…

Numerical Analysis · Mathematics 2015-05-06 Tomáš Roubíček , Jan Valdman
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