相关论文: Chemical Reaction Networks in a Laplacian Framewor…

We present two quantitative behavioral equivalences over species of a chemical reaction network (CRN) with semantics based on ordinary differential equations. Forward CRN bisimulation identifies a partition where each equivalence class…

We mathematically prove that chemical reaction networks without hidden layers can solve tasks for which spiking neural networks require hidden layers. Our proof uses the deterministic mass-action kinetics formulation of chemical reaction…

Learning the graph Laplacian from observed data is one of the most investigated and fundamental tasks in Graph Signal Processing (GSP). Different variants of the Laplacian, such as the combinatorial, signless or signed Laplacians have been…

Geometric deep learning has demonstrated a great potential in non-Euclidean data analysis. The incorporation of geometric insights into learning architecture is vital to its success. Here we propose a curvature-enhanced graph convolutional…

We present a novel Multi-Relational Graph Convolutional Network (MRGCN) based framework to model on-road vehicle behaviors from a sequence of temporally ordered frames as grabbed by a moving monocular camera. The input to MRGCN is a…

Convolutional neural networks are nowadays witnessing a major success in different pattern recognition problems. These learning models were basically designed to handle vectorial data such as images but their extension to non-vectorial and…

Graph Convolutional Networks (GCNs) have been widely used due to their outstanding performance in processing graph-structured data. However, the undirected graphs limit their application scope. In this paper, we extend spectral-based graph…

Networks with a prescribed power-law scaling in the spectrum of the graph Laplacian can be generated by evolutionary optimization. The Laplacian spectrum encodes the dynamical behavior of many important processes. Here, the networks are…

In living cells, chemical reactions are connected by sharing their products and substrates, and form complex networks, e.g. metabolic pathways. Here we developed a theory to predict the sensitivity, i.e. the responses of concentrations and…

A numerically effective procedure for determining weakly reversible chemical reaction networks that are linearly conjugate to a known reaction network is proposed in this paper. The method is based on translating the structural and…

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

We introduce nonlocal dynamics on directed networks through the construction of a fractional version of a nonsymmetric Laplacian for weighted directed graphs. Furthermore, we provide an analytic treatment of fractional dynamics for both…

This is an expository note on large deviations, Hamilton-Jacobi-Bellman (HJB) equations, and the role of the Freidlin-Wentzell quasipotential in Chemical Reaction Networks (CRNs). The note was motivated by observations which identified…

Although optimal control (OC) has been studied in stochastic thermodynamics for systems with continuous state variables, less is known in systems with discrete state variables, such as Chemical Reaction Networks (CRNs). Here, we develop a…

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

Understanding efficient modifications to improve network functionality is a fundamental problem of scientific and industrial interest. We study the response of network dynamics against link modifications on a weakly connected directed graph…

Graph convolutional network (GCN) is generalization of convolutional neural network (CNN) to work with arbitrarily structured graphs. A binary adjacency matrix is commonly used in training a GCN. Recently, the attention mechanism allows the…

Signed and directed networks are ubiquitous in real-world applications. However, there has been relatively little work proposing spectral graph neural networks (GNNs) for such networks. Here we introduce a signed directed Laplacian matrix,…

Graph Laplacians as well as related spectral inequalities and (co-)homology provide a foray into discrete analogues of Riemannian manifolds, providing a rich interplay between combinatorics, geometry and theoretical physics. We apply some…

Inspired by the recent developments in modeling and analysis of reaction networks, we provide a geometric formulation of the reversible reaction networks under the influence of diffusion. Using the graph knowledge of the underlying reaction…