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

We propose a novel sequence prediction method for sequential data capturing node traversals in graphs. Our method builds on a statistical modelling framework that combines multiple higher-order network models into a single multi-order…

Arrow diagram (AD) method (L. Kantorovich and B. Zapol, J. Chem. Phys. \textbf{96}, 8420 (1992); \emph{ibid}, 8427) provides a convenient means of systematic calculation of arbitrary matrix elements, $<\Psi|\hat{O}|\Psi>$, of symmetrical…

Analysis of complex networks, particularly material networks such as the carbon skeleton of hydrocarbons generated in hydrocarbon pyrolysis in carbon-rich systems, is essential for effectively describing, modeling, and predicting their…

Seamless situational awareness provided by modern radar systems relies on effective methods for multiobject tracking (MOT). This paper presents a graph-based Bayesian method for nonlinear and high-dimensional MOT problems that embeds…

The MAYA detector is a Time-Charge Projection Chamber based on the concept of active target. These type of devices use a part of the detection system, the filling gas in this case, in the role of reaction target. The MAYA detector performs…

Trapping of atoms and molecules in electrostatic, magnetic and optical traps has enabled studying atomic and molecular interactions on a timescale of many seconds, allowing observations of ultra-cold collisions and reactions. Here we report…

In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

A major impediment to a more complete understanding of barrier crossing and other single-molecule processes is the inability to directly visualize the trajectories and dynamics of atoms and molecules in reactions. Rather, the kinetics are…

Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling.…

We give a theoretical treatment of single atom detection in an compound, optical micro cavity. The cavity consists of a single mode semiconductor waveguide with a gap to allow atoms to interact with the optical field in the cavity. Optical…

Waveguide quantum electrodynamics studies photon-mediated interactions of quantum emitters in a one-dimensional radiation channel. Although signatures of such interactions have been observed previously in a variety of physical systems,…

Formation of a molecular network from multifunctional precursors is modelled with a random graph process. The random graph model favours reactivity for monomers that are positioned close in the network topology, and disfavours reactivity…

Predicting relaxed atomic structures of chemically complex materials remains a major computational challenge, particularly for high-entropy systems where traditional first-principles methods become prohibitively expensive. We introduce the…

Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are…

Heterogeneous gas and solid catalyst reactions occur at the atomic level, and understanding and controlling complex catalytic reactions at this level is crucial for the development of improved processes and materials. There are postulations…

Quantum photonics has demonstrated its potential for enhanced sensing. Current sources of quantum light states tailored to measuring, allow to monitor phenomena evolving on time scales of the order of the second. These are characteristic of…

Chemical transformations depend not only on the identities of the reacting species but also on the catalytic, environmental, and intermediate conditions under which they occur. Classical binary reaction formalisms usually treat such…

Unlabeled multigraphs have diverse applications across scientific fields, from transportation and social networks to polymer physics. In particular, multigraphs are essential for studying the relationship between the spatial organization…

We develop a certified numerical algorithm for computing Galois/monodromy groups of parametrized polynomial systems. Our approach employs certified homotopy path tracking to guarantee the correctness of the monodromy action produced by the…

The accurate tracking of live cells using video microscopy recordings remains a challenging task for popular state-of-the-art image processing based object tracking methods. In recent years, several existing and new applications have…