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Key network motifs searching in complex networks is one of the crucial aspects of network analysis. There has been a series of insightful findings and valuable applications for various scenarios through the analysis of network structures. However, in dynamic systems, slight changes in the choice of dynamic equations and parameters can alter the significance of motifs. The known methods are insufficient to address this issue effectively. In this paper, we introduce a concept of perturbation energy based on the system's Jacobian matrix, and define motif centrality for dynamic systems by seamlessly integrating network topology with dynamic equations. Through simulations, we observe that the key motifs obtained by the proposed energy method present better effective and accurate than them by integrating network topology methods, without significantly increasing algorithm complexity. The finding of key motifs can be used to apply for system control, such as formulating containment policies for the spread of epidemics and protecting fragile ecosystems. Additionally, it makes substantial contribution to a deeper understanding of concepts in physics, such as signal propagation and system's stability., Comment: 15 pages, 7 figures

This paper focuses on extensions of the classic Erd\H{o}s-Gallai Theorem for the set of weighted function of each edge in a graph. The weighted function of an edge $e$ of an $n$-vertex uniform hypergraph $\mathcal{H}$ is defined to a special function with respect to the number of edges of the longest Berge path containing $e$. We prove that the summation of the weighted function of all edges is at most $n$ for an $n$-vertex uniform hypergraph $\mathcal{H}$ and characterize all extremal hypergraphs that attain the value, which strengthens and extends the hypergraph version of the classic Erd\H{o}s-Gallai Theorem., Comment: 19 pages

We proposed two classes of multiparticle entangled states, the multigraph states and multihypergraph states, defined by unique operations on the edges and hyperedges. A key discovery is the one-to-one correspondence between the proposed multihypergraph states and the generalized real equally weighted states when d is prime. While for composite d, multihypergraph states form a subset of the generalized real equally weighted states. Meanwhile, we detailed a method for constructing real equally weighted states from hypergraph states and revealed the generalized real equally weighted states which cannot be generated from d-dimensional hypergraph states.

In this paper, we present a sharp upper bound for the spectral radius of an $n$-vertex graph without $F$-minor for sufficient large $n$, where $F$ is obtained from the complete graph $K_r$ by deleting disjointed paths. Furthermore, the graphs which achieved the sharp bound are characterized. This result may be regarded to be an extended revision of the number of edges in an $n$-vertex graph without $F$-minor., Comment: 18 pages, 1 figurs

Let $G$ be an simple graph of order $n$ whose adjacency eigenvalues are $\lambda_1\ge\dots\ge\lambda_n$. The HL--index of $G$ is defined to be $R(G)= \max\{|\lambda_{h}|, |\lambda_{l}|\}$ with $h=\left\lfloor\frac{n+1}{2}\right\rfloor$ and $ l=\left\lceil\frac{n+1}{2}\right\rceil.$ Mohar conjectured that $R(G)\le 1$ for every planar subcubic graph $G$. In this note, we prove that Mohar's Conjecture holds for every $K_4$-minor-free subcubic graph. Note that a $K_4$-minor-free graph is also called a series--parallel graph. In addition, $R(G)\le 1$ for every subcubic graph $G$ which contains a subgraph $K_{2,3}$., Comment: 6 pages, 1figure

Various disasters stem from minor perturbations, such as the spread of infectious diseases, cascading failure in power grids, etc. Analyzing perturbations is crucial for both theoretical and application fields. Previous researchers have proposed basic propagation patterns for perturbation and explored the impact of basic network motifs on the collective response to these perturbations, However, the current framework is limited in its ability to decouple interactions, and therefore cannot analyze more complex structures. In this article, we establish an effective, robust and powerful propagation framework under a general dynamic model. This framework reveals common and dense network motifs that exert a critical influence on signal propagation, often spanning orders of magnitude compared with conclusions generated by previous work. Moreover, our framework provides a new approach to understand the fundamental principles of complex systems and the negative feedback mechanism, which is of great significance for research of system controlling and network resilience., Comment: 15 pages, 3 figures

Stanley introduced the concept of chromatic symmetric functions of graphs which extends and refines the notion of chromatic polynomials of graphs, and asked whether trees are determined up to isomorphism by their chromatic symmetric functions. Using the technique of differentiation with respect to power-sum symmetric functions, we give a positive answer to Stanley's question for the class of trees with exactly two vertices of degree at least 3. In addition, we prove that for any tree $T$, the generalized degree sequence for subtrees of $T$ is determined by the chromatic symmetric function of $T$, providing evidence to a conjecture of Crew.

Although developing artificial enzymes has made great progress, there is still a gap between artificial enzymes and natural enzymes in catalytic performance. Designing and constructing efficient artificial biocatalysts is extremely desirable because of their high stability, low cost and easy storage. Here, we report a synthesized amino-functionalized graphene quantum dots-based manganese single atom catalyst (SAC) Mn-N4, which exhibits POD-, CAT, SOD-like activities, especially the superior SOD-like activity. Recent studies have reported Mn-based SAzymes, however, the multi-enzyme mimicking catalytic mechanisms for Mn-N4 are not comprehensive and in-depth enough. Therefore, we combine density functional theory (DFT) calculations and machine learning (ML) to validate the performance of the multi-enzyme mimicking activities. The DFT simulations show that Mn-N4 owns a highly effective SOD in the "one-side adsorption" with a very low energy barrier of 0.077 eV, which can be attributed to variation of the preferred spin states of Mn-O2.- system and its "spin flip-collection lock" in the SOD-like catalytic procedure. Furthermore, spin related charge distributions on Mn-N4 configurations by machine learning (ML) analysis suggest that the pattern of spin and natural charge/valence electron distribution will exhibit similarity in the structures of multiple intermediate steps of multi-enzyme mimicking activities. This work not only puts forward the catalytic mechanisms of Mn-N4 SAzymes, but also provides essential guidance for future design of highly performance artificial enzymes.

Let $A(G)$ and $D(G)$ be the adjacency and degree matrices of a simple graph $G$ on $n$ vertices, respectively. The \emph{$A_\alpha$-spectral radius} of $G$ is the largest eigenvalue of $A_\alpha (G)=\alpha D(G)+(1-\alpha)A(G)$ for a real number $\alpha \in[0,1]$. In this paper, for $\alpha \in (0,1)$, we obtain a sharp upper bound for the $A_\alpha$-spectral radius of graphs on $n$ vertices without a subgraph isomorphic to a liner forest for $n$ large enough and characterize all graphs which attain the upper bound. As a result, we completely obtain the maximum signless Laplacian spectral radius of graphs on $n$ vertices without a subgraph isomorphic to a liner forest for $n$ large enough., Comment: 18 pages

Coherently driven semiconductor quantum dots are one of the most promising platforms for non-classical light sources and quantum logic gates which form the foundation of photonic quantum technologies. However, to date, coherent manipulation of single charge carriers in quantum dots is limited mainly to their lowest orbital states. Ultrafast coherent control of high-orbital states is obstructed by the demand for tunable terahertz pulses. To break this constraint, we demonstrate an all-optical method to control high-orbital states of a hole via stimulated Auger process. The coherent nature of the Auger process is proved by Rabi oscillation and Ramsey interference. Harnessing this coherence further enables the investigation of single-hole relaxation mechanism. A hole relaxation time of 161 ps is observed and attributed to the phonon bottleneck effect. Our work opens new possibilities for understanding the fundamental properties of high-orbital states in quantum emitters and developing new types of orbital-based quantum photonic devices., Comment: Manuscript with 14 pages and 6 figures plus supplementary Information comprising 15 pages and 14 figures. Nature Nanotechnology (24 July 2023)

For a graph $G$, the unraveled ball of radius $r$ centered at a vertex $v$ is the ball of radius $r$ centered at $v$ in the universal cover of $G$. We obtain a lower bound on the weighted spectral radius of unraveled balls of fixed radius in a graph with positive weights on edges, which is used to present an upper bound on the $s$-th (where $s\ge 2$) smallest normalized Laplacian eigenvalue of irregular graphs under minor assumptions. Moreover, when $s=2$, the result may be regarded as an Alon--Boppana type bound for a class of irregular graphs., Comment: 12 pages

Let $Q(G)=D(G)+A(G)$ be the signless Laplacian matrix of a simple graph of order $n$, where $D(G)$ and $A(G)$ are the degree diagonal matrix and the adjacency matrix of $G$, respectively. In this paper, we present a sharp upper bound for the signless spectral radius of $G$ without any tree and characterize all extremal graphs which attain the upper bound, which may be regarded as a spectral extremal version for the famous Erd\H{o}s-S\'{o}s conjecture., Comment: 12 pages

Let $G$ be a graph of order $n$, and let $A(G)$ and $D(G)$ be the adjacency matrix and the degree matrix of $G$ respectively. Define the convex linear combinations $A_\alpha (G)$ of $A (G)$ and $D (G) $ by $$A_\alpha (G)=\alpha D(G)+(1-\alpha)A(G)$$ for any real number $0\leq\alpha\leq1$. The \emph{$\alpha$-index} of $G$ is the largest eigenvalue of $A_\alpha(G)$. In this paper, we determine the maximum $\alpha$-index and characterize all extremal graphs for $K_r$ minor-free graphs, $K_{s,t}$ minor-free graphs, and star-forest-free graphs for any $0<\alpha<1$ by unified eigenvector approach, respectively., Comment: 16 pages

The bipartite Tur\'{a}n number of a graph $H$, denoted by $ex(m,n; H)$, is the maximum number of edges in any bipartite graph $G=(X,Y; E)$ with $|X|=m$ and $|Y|=n$ which does not contain $H$ as a subgraph. In this paper, we determined $ex(m,n; F_{\ell})$ for arbitrary $\ell$ and appropriately large $n$ with comparing to $m$ and $\ell$, where $F_\ell$ is a linear forest which consists of $\ell$ vertex disjoint paths. Moreover, the extremal graphs have been characterized. Furthermore, these results are used to obtain the maximum spectral radius of bipartite graphs which does not contain $F_{\ell}$ as a subgraph and characterize all extremal graphs which attain the maximum spectral radius., Comment: 18 pages

We call a real multi-dimensional array a {\em tensor} for short. In enumerating vertices of the polytopes of stochastic tensors, different approaches have been used: {(1)} Combinatorial method via Latin squares; {(2)} Analytic (topological) approach by using hyperplanes; {(3)} Computational geometry (polytope theory) approach; and (4) Optimization (linear programming) approach. As all these approaches are worthy of consideration and investigation in the enumeration problem, various bounds have been obtained. This note is to compare the existing upper bounds arose from different approaches., Comment: 9 pages

The subtrees and BC-subtrees (subtrees where any two leaves are at even distance apart) have been extensively studied in recent years. Such structures, under special constraints on degrees, have applications in many fields. Through an approach based on generating functions, we present recursive algorithms for enumerating various subtrees and BC-subtrees of maximum degree $\leq k$ in trees. The algorithms are illustrated through detailed examples. We also briefly discuss, in trees, the densities of subtrees (resp.~BC-subtrees) of maximum degree $\leq k(\geq 2)$ among all subtrees (resp.~BC-subtrees)., Comment: 24 pages, 5 figures

A connected graph $G$ is said to be $k$-connected if it has more than $k$ vertices and remains connected whenever fewer than $k$ vertices are deleted. In this paper, for a connected graph $G$ with sufficiently large order, we present a tight sufficient condition for $G$ with fixed minimum degree to be $k$-connected based on the $Q$-index. Our result can be viewed as a spectral counterpart of the corresponding Dirac type condition., Comment: 11 pages. arXiv admin note: text overlap with arXiv:2109.07347

For $0\leq \alpha < 1$, the $\mathcal{A}_{\alpha}$-spectral radius of a $k$-uniform hypergraph $G$ is defined to be the spectral radius of the tensor $\mathcal{A}_{\alpha}(G):=\alpha \mathcal{D}(G)+(1-\alpha) \mathcal{A}(G)$, where $\mathcal{D}(G)$ and $A(G)$ are diagonal and the adjacency tensors of $G$ respectively. This paper presents several lower bounds for the difference between the $\mathcal{A}_{\alpha}$-spectral radius and an average degree $\frac{km}{n}$ for a connected $k$-uniform hypergraph with $n$ vertices and $m$ edges, which may be considered as the measures of irregularity of $G$. Moreover, two lower bounds on the $\mathcal{A}_{\alpha}$-spectral radius are obtained in terms of the maximum and minimum degrees of a hypergraph., Comment: 22 pages

Let $F_{a_1,\dots,a_k}$ be a graph consisting of $k$ cycles of odd length $2a_1+1,\dots, 2a_k+1$, respectively which intersect in exactly a common vertex, where $k\geq1$ and $a_1\ge a_2\ge \cdots\ge a_k\ge 1$. In this paper, we present a sharp upper bound for the signless Laplacian spectral radius of all $F_{a_1,\dots,a_k}$-free graphs and characterize all extremal graphs which attain the bound. The stability methods and structure of graphs associated with the eigenvalue are adapted for the proof., Comment: 11 pages