10 papers · ranked by Valyu relevance
Matthias Volk, Borzoo Bonakdarpour, Joost-Pieter Katoen, Saba Aflaki
Randomization is a key concept in distributed computing to tackle impossibility results. This also holds for self-stabilization in anonymous networks where coin flips are often used to break symmetry. Although the use of randomization in self-stabilizing algorithms is rather common, it is unclear what the optimal coin…
Sander Borst, Daniel Dadush, Sophie Huiberts, Danish Kashaev
Explorable heap selection is the problem of selecting the nth smallest value in a binary heap. The key values can only be accessed by traversing through the underlying infinite binary tree, and the complexity of the algorithm is measured by the total distance traveled in the tree (each edge has unit cost). This problem…
Pier Paolo Poir, Louis Lagardère, Jean-Philip Piquemal
We propose a new strategy to solve the Tkatchenko-Scheffler Many-Body Dispersion (MBD) model’s equations. Our approach overcomes the original O(N**3) computational complexity that limits its applicability to large molecular systems within thecontext of O(N) Density Functional Theory (DFT). First, in order to generate…
Pier Paolo Poier, Louis Lagardère, Jean-Philip Piquemal
We propose a new strategy to solve the Tkatchenko-Scheffler Many-Body Dispersion (MBD) model’s equations. Our approach overcomes the original O(N**3) computational complexity that limits its applicability to large molecular systems within thecontext of O(N) Density Functional Theory (DFT). First, in order to generate…
Mengqi Zhang, Guangqiang Teng, Xiaoyu Lei, Boris Ryabko
Lei proposed an algorithm Algorithm $A_{3}$ in 2023 to generate an exact discrete uniform distribution from an unknown biased Bernoulli source. The present paper does not claim a new extraction algorithm. Its contributions are analytical: first, we provide a Fourier-analytic proof of the uniformity mechanism based on…
Hojong Choi, Seung-Hyeok Shin, Diego Martín, Masoud Kaveh + 1 more
'Mohammad Reza Mosavi'] Ultrasound systems have been widely used for consultation; however, they are susceptible to cyberattacks. Such ultrasound systems use random bits to protect patient information, which is vital to the stability of information-protecting systems used in ultrasound machines. The stability of the…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Authors not listed
Metastable states and the conformational transitions in between them are key to understanding dynamical behaviour and function of large-scale molecular systems. By combining basic dimensionality reduction techniques with a state-of-the art approximation of the Koopman operator associated to molecular dynamics…
Sakshi Patel, Thanikaiselvan Veeramalai, Amelia Carolina Sparavigna
With the advancement of technology worldwide, security is essential for online information and data. This research work proposes a novel image encryption method based on combined chaotic maps, Halton sequence, five-dimension (5D) Hyper-Chaotic System and Deoxyribonucleic Acid (DNA) encoding. Halton sequence is a known…
Jonas Verhellen
Computer-assisted design of small molecules has experienced a resurgence in academic and indus- trial interest due to the widespread use of data-driven techniques such as deep generative models. While the ability to generate molecules that fulfill required chemical properties is encouraging, the use of deep learning…