相关论文: Analysing kinetic transition networks for rare eve…

We describe an exact approach for calculating transition probabilities and waiting times in finite-state discrete-time Markov processes. All the states and the rules for transitions between them must be known in advance. We can then…

Graphs of the most probable transitions for a transition probability matrix, $e^{\tau K}$, i.e., the time evolution matrix of the transition rate matrix $K$ over a finite time interval $\tau$, are considered. We study how the graph…

Transition path sampling is a method for estimating the rates of rare events in molecular systems based on the gradual transformation of a path distribution containing a small fraction of reactive trajectories into a biased distribution in…

We present here two promising techniques for the application of the complex network approach to continuous spatio-temporal systems that have been developed in the last decade and show large potential for future application and development…

Predicting pedestrian motion trajectories is crucial for path planning and motion control of autonomous vehicles. Accurately forecasting crowd trajectories is challenging due to the uncertain nature of human motions in different…

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by…

We present PGTNet, an approach that transforms event logs into graph datasets and leverages graph-oriented data for training Process Graph Transformer Networks to predict the remaining time of business process instances. PGTNet consistently…

We numerically investigate jamming transitions in complex heterogeneous networks. Inspired by Internet routing protocols, we study a general model that incorporates local traffic information through a tunable parameter. The results show…

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

We explore graph rewiring methods that optimise commute time. Recent graph rewiring approaches facilitate long-range interactions in sparse graphs, making such rewirings commute-time-optimal on average. However, when an expert prior exists…

Adaptive networks model social, physical, technical, or biological systems as attributed graphs evolving at the level of both their topology and data. They are naturally described by graph transformation, but the majority of authors take an…

Graph Neural Networks (GNNs) have achieved notable success in the analysis of non-Euclidean data across a wide range of domains. However, their applicability is constrained by the dependence on the observed graph structure. To solve this…

We present three algorithms for calculating rate constants and sampling transition paths for rare events in simulations with stochastic dynamics. The methods do not require a priori knowledge of the phase space density and are suitable for…

The explosion of data available in life sciences is fueling an increasing demand for expressive models and computational methods. Graph transformation is a model for dynamic systems with a large variety of applications. We introduce a novel…

Establishing cutoff, an abrupt transition from "not mixed" to "well mixed", is a classical topic in the theory of mixing times for Markov chains. Interest has grown recently in determining not only the existence of cutoff and the order of…

We introduce weighted Markovian graphs, a random walk model that decouples the transition dynamics of a Markov chain from (random) edge weights representing the cost of traversing each edge. This decoupling allows us to study the…

By interpreting a traffic scene as a graph of interacting vehicles, we gain a flexible abstract representation which allows us to apply Graph Neural Network (GNN) models for traffic prediction. These naturally take interaction between…

Foundation models have shown great promise in various fields of study. A potential application of such models is in computer network traffic analysis, where these models can grasp the complexities of network traffic dynamics and adapt to…

Rare events are ubiquitous in many different fields, yet they are notoriously difficult to simulate because few, if any, events are observed in a conventiona l simulation run. Over the past several decades, specialised simulation methods…

Statistical properties of evolving random graphs are analyzed using kinetic theory. Treating the linking process dynamically, structural characteristics such as links, paths, cycles, and components are obtained analytically using the rate…