Related papers: Topological Graph-based Analysis of Solid-State Io…
Network visualisation techniques are important tools for the exploratory analysis of complex systems. While these methods are regularly applied to visualise data on complex networks, we increasingly have access to time series data that can…
Simulating percolation and critical phenomena of labelled species inside films composed of single-component linear homogeneous macromolecules using molecular Monte Carlo method in 3 dimensions, we study dependence of these conducting…
The behavior of complex systems is determined not only by the topological organization of their interconnections but also by the dynamical processes taking place among their constituents. A faithful modeling of the dynamics is essential…
We introduce the computational problem of graphlet transform of a sparse large graph. Graphlets are fundamental topology elements of all graphs/networks. They can be used as coding elements to encode graph-topological information at…
Data defined over a network have been successfully modelled by means of graph filters. However, although in many scenarios the connectivity of the network is known, e.g., smart grids, social networks, etc., the lack of well-defined…
We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…
Complex systems of interacting components often can be modeled by a simple graph $\mathcal{G}$ that consists of a set of $n$ nodes and a set of $m$ edges. Such a graph can be represented by an adjacency matrix $A\in\R^{n\times n}$, whose…
We introduce a framework for analyzing topological tipping in time-evolutionary point clouds by extending the recently proposed Topological Optimal Transport (TpOT) distance. While TpOT unifies geometric, homological, and higher-order…
The fundamental model of any periodic crystal is a periodic set of points at all atomic centres. Since crystal structures are determined in a rigid form, their strongest equivalence is rigid motion (composition of translations and…
A long-standing goal of materials science is to understand, predict and control the evolution of microstructures in crystalline materials. Most microstructure evolution is controlled by interface motion; hence, the establishment of rigorous…
The methodology named LIFE (Linear-in-Flux-Expressions) was developed with the purpose of simulating and analyzing large metabolic systems. With LIFE, the number of model parameters is reduced by accounting for correlations among the…
In the research of the topological band phases, the conventional wisdom is to start from the crystalline translational symmetry systems. Nevertheless, the translational symmetry is not always a necessary condition for the energy bands. Here…
When an ion confined in a linear ion trap interacts with a coherent laser field, the internal degrees of freedom, related to the electron transitions, couple to the vibrational degree of freedom of the ion. As a result of this interaction,…
In this paper, the turbulent transport properties of ST40 hot ion plasmas are examined and fully predictive time evolving modelling of a hot ion plasma pulse was performed. Understanding turbulent transport on spherical tokamaks (STs) is…
We develop online graph learning algorithms from streaming network data. Our goal is to track the (possibly) time-varying network topology, and effect memory and computational savings by processing the data on-the-fly as they are acquired.…
In four-dimensional symplectic maps complex instability of periodic orbits is possible, which cannot occur in the two-dimensional case. We investigate the transition from stable to complex unstable dynamics of a fixed point under parameter…
It was recently proposed to use small groups of trapped ions as qubit carriers in miniaturized electrode arrays that comprise a large number of individual trapping zones, between which ions could be moved. This approach might be scalable…
We consider Markov jump processes on a graph described by a rate matrix that depends on various control parameters. We derive explicit expressions for the static responses of edge currents and steady-state probabilities. We show that they…
Constitutive models are fundamental to solid mechanics and materials science, underpinning the quantitative description and prediction of material responses under diverse loading conditions. Traditional phenomenological models, which are…
Fast ionic conduction is a defining property of solid electrolytes for all-solid-state batteries. Previous studies have suggested that liquid-like cation motion associated with fast ionic transport can disrupt crystalline symmetry, thereby…