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相关论文: Cayley Graphs of Semigroups Applied to Atom Tracki…

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We present simple graph-theoretic characterizations of Cayley graphs for left-cancellative monoids, groups, left-quasigroups and quasigroups. We show that these characterizations are effective for the end-regular graphs of finite degree.

离散数学 · 计算机科学 2018-03-26 Didier Caucal

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…

化学物理 · 物理学 2017-06-28 Sven Karsten , Sergey I. Bokarev , Saadullah G. Aziz , Sergei D. Ivanov , Oliver Kühn

This article lays the foundations for an analogue of geometric group theory that studies actions on graphs by right quasigroups, including racks and quandles. We study markings of graphs that realize racks, and we introduce (di)graph…

几何拓扑 · 数学 2026-04-01 Luc Ta

Retrosynthesis prediction is a fundamental problem in organic synthesis, where the task is to identify precursor molecules that can be used to synthesize a target molecule. A key consideration in building neural models for this task is…

机器学习 · 计算机科学 2021-06-07 Vignesh Ram Somnath , Charlotte Bunne , Connor W. Coley , Andreas Krause , Regina Barzilay

The identification of tipping points is essential for prediction of collapses or other sudden changes in complex systems. Applications include studies of ecology, thermodynamics, climatology, and epidemiology. However, detecting early signs…

Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph…

组合数学 · 数学 2021-09-24 Raffaella Mulas , Rubén J. Sánchez-García , Ben D. MacArthur

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological…

人工智能 · 计算机科学 2022-10-21 Alexander Kovalenko , Vitaliy Pozdnyakov , Ilya Makarov

Configurable arrays of optically trapped Rydberg atoms are a versatile platform for quantum computation and quantum simulation, also allowing controllable decoherence. We demonstrate theoretically, that they also enable proof-of-principle…

量子物理 · 物理学 2025-11-06 Kaustav Mukherjee , Johannes Schachenmayer , Shannon Whitlock , Sebastian Wüster

While machine learning has enabled the rapid prediction of inorganic materials with novel properties, the challenge of determining how to synthesize these materials remains largely unsolved. Previous work has largely focused on predicting…

材料科学 · 物理学 2025-12-03 Samuel Andrello , Daniel Alabi , Simon J. L. Billinge

Rydberg atoms provide a powerful platform for exploring strongly interacting quantum systems, both in free space and in structured electromagnetic environments, with growing applications in quantum technology. Accurately modeling their…

Quantitative tracking of features from video images is a basic technique employed in many areas of science. Here, we present a method for the tracking of features that partially overlap, in order to be able to track so-called colloidal…

软凝聚态物质 · 物理学 2016-11-24 Casper van der Wel , Daniela J. Kraft

We are faced with data comprised of entities interacting over time: this can be individuals meeting, customers buying products, machines exchanging packets on the IP network, among others. Capturing the dynamics as well as the structure of…

人工智能 · 计算机科学 2021-07-29 Tiphaine Viard , Henry Soldano , Guillaume Santini

We propose the Parity Flow formalism, a method for tracking the information flow in quantum circuits. This method adds labels to quantum circuit diagrams such that the action of Clifford gates can be understood as a recoding of quantum…

Making use of the fact that the collective modes associated with the spontaneous (static and dynamic) violation of gauge invariance in atomic nuclei (pairing rotations and pairing vibrations) are amenable to a simple, quite accurate nuclear…

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at speeds suitable for molecular dynam- ics simulation. Best…

计算物理 · 物理学 2017-05-03 G. Ferré , T. Haut , K. Barros

New criteria for which Cayley graphs of cyclic groups of any order can be completely determined--up to isomorphism--by the eigenvalues of their adjacency matrices is presented. Secondly, a new construction for pairs of nonisomorphic Cayley…

组合数学 · 数学 2009-04-14 Julia Brown

Graphs are commonly used to characterise interactions between objects of interest. Because they are based on a straightforward formalism, they are used in many scientific fields from computer science to historical sciences. In this paper,…

机器学习 · 统计学 2015-06-24 Pierre Latouche , Fabrice Rossi

Data-driven prediction of molecular properties presents unique challenges to the design of machine learning methods concerning data structure/dimensionality, symmetry adaption, and confidence management. In this paper, we present a…

机器学习 · 计算机科学 2019-01-31 Yu-Hang Tang , Wibe A. de Jong

Calorimeter-assisted track finding algorithm takes advantage of the finely segmented electromagnetic calorimeter proposed for the SiD detector concept by looking for "MIP stubs" produced by charged particles in the calorimeter, and using…

仪器与探测器 · 物理学 2009-02-16 Dmitry Onoprienko , Eckhard von Toerne

In this paper, we propose a new algorithm based on radial symmetry center method to track colloidal particles close to contact, where the optical images of the particles start to overlap in digital video microscopy. This overlapping effect…

仪器与探测器 · 物理学 2017-10-26 Harun Yücel , Nazmi Turan Okumuşoğlu