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In geometric analysis, an index theorem relates the difference of the numbers of solutions of two differential equations to the topological structure of the manifold or bundle concerned, sometimes using the heat kernels of two higher-order…

Let $G$ be an edge-colored connected graph. A path $P$ in $G$ is called a distance $\ell$-proper path if no two edges of the same color appear with fewer than $\ell$ edges in between on $P$. The graph $G$ is called $(k,\ell)$-proper…

A tree $T$ in an edge-colored graph is a {\it proper tree} if no two adjacent edges of $T$ receive the same color. Let $G$ be a connected graph of order $n$ and $k$ be a fixed integer with $2\le k\le n$. For a vertex subset $S \subseteq…

The {\it Randi\'c index} $R(G)$ of a graph $G$ is defined as the sum of 1/\sqrt{d_ud_v} over all edges $uv$ of $G$, where $d_u$ and $d_v$ are the degrees of vertices $u$ and $v,$ respectively. Let $D(G)$ be the diameter of $G$ when $G$ is…

Recently in 2021, Gutman introduced the Sombor index of a graph, a novel degree-based topological index. It has been shown that the Sombor index efficiently models the thermodynamic properties of chemical compounds. Assume $\mathbb{B}_n^k$…

We present implementation of second- and third-order algebraic diagrammatic construction theory for efficient and accurate computations of molecular electron affinities (EA), ionization potentials (IP), and densities of states…

A well-known result of Tutte says that if Gamma is an Abelian group and G is a graph having a nowhere-zero Gamma-flow, then G has a nowhere-zero Gamma'-flow for each Abelian group Gamma' whose order is at least the order of Gamma. Jaeger,…

While graph neural networks have shown remarkable success in molecular property prediction, current approaches like the Equivariant Subgraph Aggregation Networks (ESAN) treat molecules as bags of independent substructures, overlooking…

For a simple graph $G$ with $n$ vertices and $m$ edges, the first Zagreb index and the second Zagreb index are defined as $M_1(G)=\sum_{v\in V}d(v)^2 $ and $M_2(G)=\sum_{uv\in E}d(u)d(v)$. In \cite{VGFAD}, it was shown that if a connected…

We give a new upper bound on the quantum query complexity of deciding $st$-connectivity on certain classes of planar graphs, and show the bound is sometimes exponentially better than previous results. We then show Boolean formula evaluation…

Let $G$ be a nontrivial connected graph with an edge-coloring $c: E(G)\rightarrow \{1,2,...,q\},$ $q \in \mathbb{N}$, where adjacent edges may be colored the same. A tree $T$ in $G$ is a $rainbow tree$ if no two edges of $T$ receive the…

The symmetric difference of two graphs $G_1,G_2$ on the same set of vertices $V$ is the graph on $V$ whose set of edges are all edges that belong to exactly one of the two graphs $G_1,G_2$. For a fixed graph $H$ call a collection ${\cal G}$…

Graovac-Ghorbani index is a new version of the atom-bond connectivity index. D. Pacheco et al. [D. Pacheco, L. de Lima, C. S. Oliveira, On the Graovac-Ghorbani Index for Bicyclic Graph with No Pendent Vertices, MATCH Commun. Math. Comput.…

Characterizing the connectivity tendency of a network is a fundamental problem in network science. The traditional and well-known assortativity coefficient is calculated on a per-network basis, which is of little use to partial connection…

Historically, there have been many attempts to produce an appropriate mathematical formalism for modeling the nature of physical space, such as Euclid's geometry, Descartes' system of Cartesian coordinates, the Argand plane, Hamilton's…

The atom graph of a graph is the graph whose vertices are the atoms obtained by clique minimal separator decomposition of this graph, and whose edges are the edges of all possible atom trees of this graph. We provide two efficient…

For any real $\alpha \in [0,1]$, Nikiforov defined the $A_\alpha$-matrix of a graph $G$ as $A_\alpha(G)=\alpha D(G)+(1-\alpha)A(G)$, where $A(G)$ and $D(G)$ are the adjacency matrix and the diagonal matrix of vertex degrees of $G$,…

A set of vertices $S$ \emph{resolves} a connected graph $G$ if every vertex is uniquely determined by its vector of distances to the vertices in $S$. The \emph{metric dimension} of $G$ is the minimum cardinality of a resolving set of $G$.…

A graph $G$ is called equiarboreal if the number of spanning trees containing a given edge in $G$ is independent of the choice of edge. In [Combinatorica 1(2) (1981) 163--167], Godsil proved that any graph which is a colour class in an…

Functional MRI is a neuroimaging technique that analyzes the functional activity of the brain by measuring blood-oxygen-level-dependent signals throughout the brain. The derived functional features can be used for investigating brain…