相关论文: More on Comparison Between First Geometric-Arithme…

The difference between the two largest eigenvalues of the adjacency matrix of a graph $G$ is called the spectral gap of $G.$ If $G$ is a regular graph, then its spectral gap is equal to algebraic connectivity. Abdi, Ghorbani and Imrich, in…

The eccentric connectivity index, proposed by Sharma, Goswami and Madan, has been employed successfully for the development of numerous mathematical models for the prediction of biological activities of diverse nature. We now report…

Functional connectivity analysis is an important tool for characterizing interactions among brain regions, particularly in studies of neurodegenerative disorders such as Alzheimer's disease (AD). Gaussian graphical models (GGMs) provide a…

Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models for…

The generalized $k$-connectivity $\kappa_{k}(G)$ of a graph $G$ is a parameter that can measure the reliability of a network $G$ to connect any $k$ vertices in $G$, which is proved to be NP-complete for a general graph $G$. Let $S\subseteq…

Quasi-isometry is a measure of how similar two graphs are at `large-scale'. Nguyen, Scott, and Seymour [arXiv:2501.09839] and Hickingbotham [arXiv:2501.10840] independently gave a characterisation of graphs quasi-isometric to graphs of…

For a simple connected graph $G=(V,E)$, let $d(u)$ be the degree of the vertex $u$ of $G$. The general Sombor index of $G$ is defined as $$SO_{\alpha}(G)=\sum_{uv\in E} \left[d(u)^2+d(v)^2\right]^\alpha$$ where $SO(G)=SO_{0.5}(G)$ is the…

A path in an edge-colored graph $G$, where adjacent edges may be colored the same, is a rainbow path if every two edges of it receive distinct colors. The rainbow connection number of a connected graph $G$, denoted by $rc(G)$, is the…

We explore the interaction between connectivity and Lin-Lu-Yau curvature of graphs systematically. The intuition is that connected graphs with large Lin-Lu-Yau curvature also have large connectivity, and vice versa. We prove that the…

We show that the quantum query complexity of detecting if an $n$-vertex graph contains a triangle is $O(n^{9/7})$. This improves the previous best algorithm of Belovs making $O(n^{35/27})$ queries. For the problem of determining if an…

A new geometric background of graph invariants was introduced by Gutman, of which the simplest is the second Sombor index $SO_2$, defined as $SO_2=SO_2(G)=\sum_{uv\in E}\frac{|d^2_G(u)-d^2_G(v)|}{d^2_G(u)+d^2_G(v)}$, where $G = (V, E)$ is a…

For a graph $G$ with $n$ vertices and $m$ edges, Lin \textit{et al.} \cite{Lin} define the \textit{atom--bond sum-connectivity} ($ABS$) matrix of $G$ such that the $(i,j)^{\text{th}}$ entry is \[ \sqrt{1 - \frac{2}{d_i + d_j}} \] if vertex…

We connect several notions relating the structural and dynamical properties of a graph. Among them are the topological entropy coming from the vertex shift, which is related to the spectral radius of the graph's adjacency matrix, the…

Understanding and accurately predicting protein-ligand binding affinity are essential in the drug design and discovery process. At present, machine learning-based methodologies are gaining popularity as a means of predicting binding…

The optimal calculation order of a computational graph can be represented by a set of algebraic expressions. Computational graph and algebraic expression both have close relations and significant differences, this paper looks into these…

We propose a geometry-driven quantum-inspired classification framework that integrates Correlation Group Structures (CGR), compact SWAP-test-based overlap estimation, and selective variational quantum decision modelling. Rather than…

This paper proves strong lower bounds for distributed computing in the CONGEST model, by presenting the bit-gadget: a new technique for constructing graphs with small cuts. The contribution of bit-gadgets is twofold. First, developing…

The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…

Given a simple connected undirected graph G, the Wiener index W(G) of G is defined as half the sum of the distances over all pairs of vertices of G. In practice, G corresponds to what is known as the molecular graph of an organic compound.…

Both geometric and semantic information of the search space is imperative for a good plan. We encode those properties in a weighted colored graph (geometric information in terms of edge weight and semantic information in terms of edge and…