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Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…

Strongly Correlated Electrons · Physics 2020-07-16 Dieter Vollhardt

Predictions of observable properties by density-functional theory calculations (DFT) are used increasingly often in experimental condensed-matter physics and materials engineering as data. These predictions are used to analyze recent…

Materials Science · Physics 2015-03-20 Kurt Lejaeghere , Veronique Van Speybroeck , Guido Van Oost , Stefaan Cottenier

Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science.…

Chemical Physics · Physics 2015-06-03 Kieron Burke

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when…

Modern IC complexity drives test pattern growth, with the majority of patterns targeting a small set of hard-to-detect (HTD) faults. This motivates new ATPG algorithms to improve test effectiveness specifically for HTD faults. This paper…

Software Engineering · Computer Science 2026-05-20 Wei Li , Yang Zou , Yixin Liang , José Moura , Shawn Blanton

Dynamic regression trees are an attractive option for automatic regression and classification with complicated response surfaces in on-line application settings. We create a sequential tree model whose state changes in time with the…

Methodology · Statistics 2010-11-23 Matthew A. Taddy , Robert B. Gramacy , Nicholas G. Polson

Deep Neural Networks (DNN) have found numerous applications in various domains, including fraud detection, medical diagnosis, facial recognition, and autonomous driving. However, DNN-based systems often suffer from reliability issues due to…

Software Engineering · Computer Science 2025-01-23 Sigma Jahan , Mehil B Shah , Parvez Mahbub , Mohammad Masudur Rahman

Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…

Chemical Physics · Physics 2025-10-30 Tim Gould , Leeor Kronik , Stefano Pittalis

HF-DFT, the practice of evaluating approximate density functionals on Hartree-Fock densities, has long been used in testing density functional approximations. Density-corrected DFT (DC-DFT) is a general theoretical framework for identifying…

Chemical Physics · Physics 2021-10-18 Suhwan Song , Stefan Vuckovic , Eunji Sim , Kieron Burke

The dynamic trees problem is to maintain a forest subject to edge insertions and deletions while facilitating queries such as connectivity, path weights, and subtree weights. Dynamic trees are a fundamental building block of a large number…

Data Structures and Algorithms · Computer Science 2020-10-27 Umut A. Acar , Daniel Anderson , Guy E. Blelloch , Laxman Dhulipala , Sam Westrick

Numerous analysis methods for quantitative attack tree analysis have been proposed. These algorithms compute relevant security metrics, i.e. performance indicators that quantify how good the security of a system is; typical metrics being…

Cryptography and Security · Computer Science 2022-12-13 Milan Lopuhaä-Zwakenberg , Carlos E. Budde , Mariëlle Stoelinga

Efficient sampling from un-normalized target distributions is pivotal in scientific computing and machine learning. While neural samplers have demonstrated potential with a special emphasis on sampling efficiency, existing neural implicit…

Machine Learning · Computer Science 2024-11-05 Weijian Luo , Wei Deng

Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…

Chemical Physics · Physics 2024-03-08 Jake P. Vu , Ming Chen

The growing size and complexity of software in embedded systems poses new challenges to the safety assessment of embedded control systems. In industrial practice, the control software is mostly treated as a black box during the system's…

Software Engineering · Computer Science 2021-06-01 Marc Zeller , Kai Hoefig , Jean-Pascal Schwinn

We revisit the problem of real-time verification with dense dynamics using timeout and calendar based models and simplify this to a finite state verification problem. To overcome the complexity of verification of real-time systems with…

Logic in Computer Science · Computer Science 2010-08-12 Indranil Saha , Janardan Misra , Suman Roy

We provide an overview of high dimensional dynamical systems driven by random matrices, focusing on applications to simple models of learning and generalization in machine learning theory. Using both cavity method arguments and path…

Disordered Systems and Neural Networks · Physics 2026-01-12 Blake Bordelon , Cengiz Pehlevan

The implementation of strategies for fault detection and diagnosis on rotating electrical machines is crucial for the reliability and safety of modern industrial systems. The contribution of this work is a methodology that combines…

Systems and Control · Electrical Eng. & Systems 2023-06-19 María Barroso , José M. Bossio , Carlos M. Alaíz , Ángela Fernández

In this era of advanced manufacturing, it's now more crucial than ever to diagnose machine faults as early as possible to guarantee their safe and efficient operation. With the massive surge in industrial big data and advancement in sensing…

Artificial Intelligence · Computer Science 2025-02-25 Dhiraj Neupane , Mohamed Reda Bouadjenek , Richard Dazeley , Sunil Aryal

Control of a dynamical system without the knowledge of dynamics is an important and challenging task. Modern machine learning approaches, such as deep neural networks (DNNs), allow for the estimation of a dynamics model from control inputs…

Systems and Control · Electrical Eng. & Systems 2023-11-14 Suruchi Sharma , Volodymyr Makarenko , Gautam Kumar , Stas Tiomkin

Fault analysis and resolution of faults should be part of any end-to-end system development process. This paper is concerned with developing a formal transformation method that maps control flows modeled in UML Activities to semantically…

Software Engineering · Computer Science 2018-07-25 Charles Dickerson , Rosmira Roslan , Siyuan Ji
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