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

Graph neural networks are widely used to learn global representations of graphs, which are then used for regression or classification tasks. Typically, the graphs in such data sets are connected, i.e. each training sample consists of a…

Hydrocarbon pyrolysis is a complex chemical reaction system at extreme temperature and pressure conditions involving large numbers of chemical reactions and chemical species. Only two kinds of atoms are involved: carbons and hydrogens. Its…

The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods…

Despite significant advances in particle imaging technologies over the past two decades, few advances have been made in particle tracking, i.e. linking individual particle positions across time series data. The state-of-the-art tracking…

The primary emphasis of this work on kinetics is to illustrate the a posteriori approach to applications, where focus on data leads to novel outcomes, rather than the a priori tendencies of applied analysis which imposes constructs on the…

Recent realizations of single-atom trapping and tracking in cavity QED open the door for feedback schemes which actively stabilize the motion of a single atom in real time. We present feedback algorithms for cooling the radial component of…

Rydberg atoms are in the focus of intense research due to the peculiar properties which make them interesting candidates for quantum optics and quantum information applications. In this work we study the ionization of Rydberg atoms due to…

We develop a model-independent reduction method of chemical reaction systems based on the stoichiometry, which determines their network topology. A subnetwork can be eliminated systematically to give a reduced system with fewer degrees of…

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

We develop a broadly-applicable computational method for the automatic exploration of the bimolecular multi-reaction mechanism. The current methodology mainly involves the high-energy Born-Oppenheimer molecular dynamics (BOMD) simulation…

We present a systematic mathematical analysis of the qualitative steady-state response to rate perturbations in large classes of reaction networks. This includes multimolecular reactions and allows for catalysis, enzymatic reactions,…

The inference of an underlying network topology from local observations of a complex system composed of interacting units is usually attempted by using statistical similarity measures, such as Cross-Correlation (CC) and Mutual Information…

Designing model-independent anomaly detection algorithms for analyzing LHC data remains a central challenge in the search for new physics, due to the high dimensionality of collider events. In this work, we develop a graph autoencoder as an…

We construct a scheme for the preparation, pairwise entanglement via exchange interaction, manipulation, and measurement of individual group-II-like neutral atoms (Yb, Sr, etc.). Group-II-like atoms proffer important advantages over alkali…

We provide a category theoretical framework capturing two approaches to graph-based models of chemistry: formal reactions and disconnection rules. We model a translation from the latter to the former as a functor, which is faithful, and…

Measuring similarity between complex objects is a fundamental task in many scientific fields. When objects are represented as graphs, graph similarity/distance measures offer a powerful framework for quantifying structural resemblance.…

This paper deals with the Cayley graph $\Cay,$ where the generating set consists of all block transpositions. A motivation for the study of these particular Cayley graphs comes from current research in Bioinformatics. We prove that…

We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows the for the generation of…

A cascade of two-level superconducting artificial atoms -- a source and a probe -- strongly coupled to a semi-infinite waveguide is a promising tool for observing nontrivial phenomena in quantum nonlinear optics. The probe atom can scatter…

Macroscopic arrays of cold atoms trapped in optical cavities can reach the strong atom-light collective coupling regime thanks to the simultaneous interactions of the cavity mode with the atomic ensemble. In a recent work we reported a…