Related papers: Graphs that predict exciton delocalization
Starting from the hypothesis that both physics, in particular space-time and the physical vacuum, and the corresponding mathematics are discrete on the Planck scale we develop a certain framework in form of a class of ' cellular networks'…
Community detection, the decomposition of a graph into essential building blocks, has been a core research topic in network science over the past years. Since a precise notion of what constitutes a community has remained evasive, community…
Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with different cardinalities, even when sampled from the same underlying distribution, remains challenging.…
A study is presented of the localisation of excitonic states on extended molecular aggregates composed of identical monomers arising, not from disorder due to statistical energy shifts of the monomers, induced by environmental interactions…
Despite a long history, certain aspects of excitons - the bound inter-band states which form when a valence band hole and a conduction band electron pair - have remained relatively unexplored. This holds particularly true for the…
Unravelling the nature of energy transport in multi-chromophoric photosynthetic complexes is essential to extract valuable design blueprints for light-harvesting applications. Long-range exciton transport in such systems is facilitated by a…
Graph learning is crucial in the fields of bioinformatics, social networks, and chemicals. Although high-order graphlets, such as cycles, are critical to achieving an informative graph representation for node classification, edge…
Equations of motion for weakly coupled excitonic complexes are derived. The description allows to treat the system in the basis of electronic states localized on individual chromophores, while at the same time accounting for experimentally…
Uncertainty principles present an important theoretical tool in signal processing, as they provide limits on the time-frequency concentration of a signal. In many real-world applications the signal domain has a complicated irregular…
In this paper we study for the incompressible Euler equations the global structure of the bifurcation diagram for the rotating doubly connected patches near the degenerate case. We show that the branches with the same symmetry merge forming…
We consider multivariate two-sample tests of means, where the location shift between the two populations is expected to be related to a known graph structure. An important application of such tests is the detection of differentially…
A variety of different graphene plasmonic structures and devices have been proposed and demonstrated experimentally. Plasmon modes in graphene microstructures interact strongly via the depolarization fields. An accurate quantitative…
The dynamics of coupled intermittent maps is used to model the correlated structure of genomic sequences. The use of intermittent maps, as opposed to other simple chaotic maps, is particularly suited for the production of long range…
Graphs are ubiquitous in encoding relational information of real-world objects in many domains. Graph generation, whose purpose is to generate new graphs from a distribution similar to the observed graphs, has received increasing attention…
Accurate molecular property prediction is central to drug discovery, yet graph neural networks often underperform in data-scarce regimes and fail to surpass traditional fingerprints. We introduce cross-graph inter-message passing (XIMP),…
In this paper, we introduce a graph matching method that can account for constraints of arbitrary order, with arbitrary potential functions. Unlike previous decomposition approaches that rely on the graph structures, we introduce a…
We have generalised the concept of graph states to what we have called mixed graph states, which we define in terms of mixed graphs, that is graphs with both directed and undirected edges, as the density matrix stabilized by the associated…
We offer a solution to a long-standing problem in the physics of networks, the creation of a plausible, solvable model of a network that displays clustering or transitivity -- the propensity for two neighbors of a network node also to be…
We consider the count of subgraphs with an arbitrary configuration of endpoints in the random-connection model based on a Poisson point process on ${\Bbb R}^d$. We present combinatorial expressions for the computation of the cumulants and…
Graphs can be associated with a matrix according to some rule and we can find the spectrum of a graph with respect to that matrix. Two graphs are cospectral if they have the same spectrum. Constructions of cospectral graphs help us…