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Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…
A simple algorithm for constructing an effective traffic model is presented. The algorithm uses statistically well-defined quantities extracted from the flow-density plot, and the resulting effective model naturally captures and predicts…
Multivariate time series forecasting is a challenging task because the data involves a mixture of long- and short-term patterns, with dynamic spatio-temporal dependencies among variables. Existing graph neural networks (GNN) typically model…
We analyse a dynamic control problem for scalar reaction-diffusion equations, focusing on the emulation of pattern formation through the selection of appropriate active controls. While boundary controls alone prove inadequate for…
Phenotypical variability in the absence of genetic variation often reflects complex energetic landscapes associated with underlying gene regulatory networks (GRNs). In this view, different phenotypes are associated with alternative states…
Retrosynthesis, which aims to identify viable synthetic pathways for target molecules by decomposing them into simpler precursors, is often treated as a search problem. However, its complexity arises from multi-branched tree-structured…
Network sampling is integral to the analysis of social, information, and biological networks. Since many real-world networks are massive in size, continuously evolving, and/or distributed in nature, the network structure is often sampled in…
Probabilistic message-passing algorithms are developed for routing transmissions in multi-wavelength optical communication networks, under node and edge-disjoint routing constraints and for various objective functions. Global routing…
Using the growing volumes of vehicle trajectory data, it becomes increasingly possible to capture time-varying and uncertain travel costs in a road network, including travel time and fuel consumption. The current paradigm represents a road…
The pathway is a biological term that refers to a series of interactions between molecules in a cell that causes a certain product or a change in the cell. Pathway analysis is a powerful method for gene expression analysis. Through pathway…
In this article, we investigate an artificial traffic model on scale-free networks. Instead of using the routing strategy of the shortest path, a generalized routing algorithm is introduced to improve the transportation throughput, which is…
Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…
Modern processing networks often consist of heterogeneous servers with widely varying capabilities, and process job flows with complex structure and requirements. A major challenge in designing efficient scheduling policies in these…
This paper introduces a new macroscopic perspective for simulating transportation networks. The idea is to look at the network as connected nodes. Each node sends an information package to its neighbors. Basically, the information package…
We introduce a new approach to model and analyze \emph{Mobility}. It is fully based on discrete mathematics and yields a class of mobility models, called the \emph{Markov Trace} Model. This model can be seen as the discrete version of the…
The fast evolving nature of modern cyber threats and network monitoring needs calls for new, "software-defined", approaches to simplify and quicken programming and deployment of online (stream-based) traffic analysis functions. StreaMon is…
Mobile robots frequently navigate on roadmaps, i.e., graphs where edges represent safe motions, in applications such as healthcare, hospitality, and warehouse automation. Often the environment is quasi-static, i.e., it is sufficient to…
The paper presents an exponential pheromone deposition approach to improve the performance of classical Ant System algorithm which employs uniform deposition rule. A simplified analysis using differential equations is carried out to study…
Optimal paths connecting randomly selected network nodes and fixed routers are studied analytically in the presence of non-linear overlap cost that penalizes congestion. Routing becomes increasingly more difficult as the number of selected…
Stochastic effects significantly influence the dynamics of traffic flows. Many dynamic traffic assignment (DTA) models attempt to capture these effects by prescribing a specific ratio that determines how flow splits across different routes…