This paper concerns the aptitudes of medical staff to explore new therapies and training exercises for image-assisted robotic diligent interventions. This exploration can be carried out using physical, digital, or both copies of patients. Such physical and digital phantoms should approximate real living tissues through realistic biological properties. Such a realistic assessment could be achieved through strategies to reduce physical and numerical uncertainties. The concept of physical-virtual matched pairs is used in image-assisted robotic interventions to enable such reduction. The present commentary aimed to analyze and illustrate possibilities for increasing the capabilities of medical personnel to explore new therapies and training exercises for image-assisted robotic diligent interventions. In this context, the manuscript focused on the use of the physical-virtual digital twin (DT) concept to monitor image-assisted robotic interventions, thereby reducing the complexity and uncertainties involved in such a procedure. Extensions involve robotic operations assisted by human-in-the-loop DT, artificial intelligence (AI), and augmented reality (AR). The various topics covered in this commentary are supported by a review of the literature.
Citation: Adel Razek. Augmented therapeutic tutoring in diligent image-assisted robotic interventions[J]. AIMS Medical Science, 2024, 11(2): 210-219. doi: 10.3934/medsci.2024016
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Abstract
This paper concerns the aptitudes of medical staff to explore new therapies and training exercises for image-assisted robotic diligent interventions. This exploration can be carried out using physical, digital, or both copies of patients. Such physical and digital phantoms should approximate real living tissues through realistic biological properties. Such a realistic assessment could be achieved through strategies to reduce physical and numerical uncertainties. The concept of physical-virtual matched pairs is used in image-assisted robotic interventions to enable such reduction. The present commentary aimed to analyze and illustrate possibilities for increasing the capabilities of medical personnel to explore new therapies and training exercises for image-assisted robotic diligent interventions. In this context, the manuscript focused on the use of the physical-virtual digital twin (DT) concept to monitor image-assisted robotic interventions, thereby reducing the complexity and uncertainties involved in such a procedure. Extensions involve robotic operations assisted by human-in-the-loop DT, artificial intelligence (AI), and augmented reality (AR). The various topics covered in this commentary are supported by a review of the literature.
1.
Introduction
For a simple, undirected, connected graph H=(V(H), E(H)), let A represent the adjacency matrix of H, and let du denote the degree of vertex u in H. Assuming that the eigenvalues of A are μ1>μ2≥⋯≥μn.
The centrality of the node study is a significant research direction in network science and graph theory. The centrality of a node describes how important a node is in a network [1,2]. The concept of node centrality comes from Leavitt's analysis of the influence between the behavior of small groups and their mode of communication in 1951[3]. Soon after, many scholars defined and studied the centrality index of nodes from different perspectives, such as degree centrality[4], closeness centrality[5], energy centrality[6], and so on[7]. The research on node centrality has excellent significance for the solution of practical problems such as the robustness of the actual network[8], the propagation efficiency in the control network[9], and the understanding of the structural characteristics of the network[10].
The matrix functions have become an essential mathematical tool for studying network science[11]. The node centrality index is based on the matrix function with an adjacency matrix, including subgraph centrality[12,13], total communicability centrality[14], Katz centrality[15], and so on[16]. The above definition of centrality gives weight to the adjacency matrix's extreme eigenvalues (the largest and the smallest). Such a weighting scheme is characterized by hiding the primary structural information in other eigenvalues [17]. For example, consider a connected graph H. If the spectral gap μ1−μ2 is significantly large, then the matrix exponential exp(A) is primarily influenced by μ1 and its corresponding eigenvector. Consequently, the information the remaining part of the spectrum provides is largely overlooked [18]. An exception to this is the Gaussian function exp(−A2), which places greater emphasis on the zero eigenvalues (if they exist) and those eigenvalues that are close to it [19]. This matrix function explores the central part of the spectrum, revealing crucial structural information about the graphs and networks studied[17]. The zero eigenvalue and eigenvalues near zero of A play a critical role in determining molecules' magnetic and stability properties when A represents the tight-binding Hamiltonian in HMO (Hückel molecular orbital) theory[20,21]. Many chemical reactivities are closely linked to the HOMO-LUMO gap, which corresponds to the smallest positive and the largest negative eigenvalues of A in frontier molecular orbital theory [22,23,24,25]. For example, the transfer of electrons from the HOMO of one molecule to the LUMO of another molecule is crucial in various organic chemical reactions [26]. Estrada et al. defined Gaussian subgraph centrality by exploring the influence of near-zero eigenvalues (i.e., "middle eigenvalues") on graph structure by the Gaussian function[17,18].
For a vertex u∈V(G), the generalized Gaussian subgraph centrality of u[18] is defined as
GSC(u,β)=exp(−βA2)uu,
where β>0. Furthermore, the generalized Gaussian Estrada index of a graph[18] is defined as
GEE(H,β)=n∑u=1exp(−βA2)uu=n∑i=1exp(−βμ2i),
where β>0. Notice that the GSC(u,1) and GEE(H,1) are called the Gaussian subgraph centrality and the Gaussian Estrada index, respectively. According to the rules of quantum mechanics, in a network of particles, the generalized Gaussian Estrada index can be interpreted as the partition function of the system, utilizing a Hamiltonian derived from the A2 folded spectrum method[27]. The GEE(H,β) relates to the time-dependent Schrödinger equation involving the squared Hamiltonian, which uncovers information in the eigenvalues close to zero[28,29]. In recent years, with the deepening research in network science [30,31,32]. Scholars have discovered that Gaussian functions have important applications in capturing the structural signals of graphs [33], graph classification [34], and graph representation learning [35] in random and dynamic networks.
Equitable partition (EP) was initially introduced in [36,37] and is defined as follows. Consider H to be a graph with n vertices, and τ to be a partition of V(H) with V1∪V2∪⋯∪Vt. If constants bij exist so that every vertex in the cell Vi has bij neighbors in the cell Vj for all i,j∈{1,2,…,t}, then τ is an EP. The matrix (bij)t×t is the divisor matrix of τ. Every graph G possesses EP, as the orbits of any group of automorphisms of G create an EP [38]. EP has many applications in fields such as control theory, chemical analysis, and data clustering [39,40,41]. The spectrum of (bij)t×t is contained in that of H[37]. The matrix C serves as the characteristic matrix for τ, with its columns representing the characteristic vectors of the subsets V1,…,Vt.
The concept of the star set and the star complement was introduced by [38,45]. For an eigenvalue μ of the graph H with multiplicity k, a star set for μ in H is a subset of vertices X⊆V(H) such that |X|=k and the induced subgraph G−X do not possess μ as an eigenvalue. In this scenario, G−X is referred to as the star complement for μ in H. As well known, a star set exists for any eigenvalue of any graph [46,47]. Further investigations into star set and star complement are studied in [48,49].
Since EP and star set exist for any eigenvalue of any graph, this study employs the methods of EP and star set to derive new equations for the GSC(u,β) of graphs. These equations can assist in calculating the GSC(u,β) of a large graph by utilizing the structures of a smaller graph. Moreover, some bounds for the GSC(u,β) of H are established based on the graph parameters of H. The rest of this paper is structured as follows. In Section 2, we give some lemmas used later. Section 3 details the generalized Gaussian subgraph centrality calculation formula in the context of the equitable partitions of graphs and star complements technique method. The influence of the parameter β on the robustness of the formula is explored through experiments. Section 4 introduces some bounds for the generalized Gaussian Estrada index using the graph parameters for graph H. Section 5 conclusions are given.
2.
Preliminaries
In this paper, let I denote the identity matrix and A represent the adjacency matrix of the graph H. For a graph H with order n that has an EP with V(H)=V1∪V2∪⋯∪Vt, the corresponding characteristic matrix C is an n×t matrix whose columns consist of the characteristic vectors of V1,…,Vt.
Next, we present the relationship between the characteristic, adjacency, and divisor matrices.
Lemma 2.1.[36] Let τ be an EP of graph H with characteristic matrix C and divisor matrix B. Then
AC=CB.
Here is the standard for determining whether a vertex subset qualifies as a star set.
Lemma 2.2.[46,47] Let X⊆V(H) and the adjacency matrix of the subgraph induced by X be AX, and A=(AXT⊤TP). Then X is a star set for an eigenvalue μ of H if and only if μ is not an eigenvalue of P and
μI−AX=T⊤(μI−P)−1T.
Lemma 2.3.[54] Let G be a graph with n vertices and m edges. Then
n∑i=1d2i≤m(2mn−1+n−2).
3.
Calculation of generalized Gaussian subgraph centrality for graph
We formulate the generalized Gaussian subgraph centrality using the EP for graph H and compute its values with a smaller order matrix as follows.
Theorem 3.1.Suppose that H has an EP with V(G)=V1∪V2∪⋯∪Vt and V1={u}, then
GSC(u,β)=(exp(−βB2))V1V1,
where B is the divisor matrix of EP.
Proof. Consider C and B as the characteristic and divisor matrices of EP, respectively. According to Lemma 2.1, then
Let H1 and H2 be two graphs; the join of H1 and H2 is the graph H1⊗H2 such that V(H1⊗H2)=V(H1)∪V(H2) and E(H1⊗H2)=E(H1)∪E(H2)∪{xy:x∈V(H1) and y∈V(H2)}. Furthermore, if H2 is a complete graph K1, then H1⊗K1 is also called a cone over H1[38].
Theorem 3.2.Let H1 be an r-regular graph on n vertices and H=H1⊗K1. If u∈V(K1), then
Next, we calculate the generalized Gaussian subgraph centrality for a windmill graph by Theorem 3.2.
Example 3.3.The Fs=K1⊗(sK2) is also called the windmill graph with order 2s+1. The spectra of Fs are {1±√8s+12,−1[m],1[m−1]}[38]. From Theorem 3.2, if u∈V(K1), where its degree is 2s, then
We further give the generalized Gaussian subgraph centrality formula of a class multicone graph by Theorem 3.2.
Example 3.4.The Rs,n=K1⊗(sCn) is called the multicone graph with order sn+1, where n≥3. If s>1, the spectra of Rs,n are {1±√sn+1,2cos2kπn[s],2[s−1]}, where k=1,2,⋯,n−1. If s=1, the spectra of Rs,n are {1±√n+1,2cos2kπn}, where k=1,2,⋯,n−1[50]. From Theorem 3.2, if u∈V(K1), where its degree is sn, then
Remark 1.More studies of eigenvalues of multicone graphs (e.g., K1⊗(sKn), K1⊗(s¯Cn)) are shown in [38]. Similar to the proof of examples 3.3 and 3.4, these graphs' generalized Gaussian subgraph centrality can be immediately obtained from the conclusion of Theorem 3.2. In addition, for some classes of graphs, such as the transitive graph (e.g., Kn, Petersen graph) and the large symmetries graph (e.g., Dandelion graph, Cayley tree), the quotient matrix of the graphs used by Theorem 3.1 will be much smaller than the order of the adjacency matrix, so the convergence rate may be faster when using Theorems 3.1 and 3.2 to calculate the generalized Gaussian subgraph centrality than the adjacency matrix.
Furthermore, we discuss the influence of the parameter β on the robustness of the generalized Gaussian subgraph centrality by calculating the parameter β change in examples 3.3 and 3.4. First, we give the change of the value of the generalized Gaussian subgraph centrality with the windmill and wheel graphs, respectively, by the formulas in examples 3.3 and 3.4, as shown in Tables 1 and 2 (the results are to be retained to four decimal places).
Table 1.
Values of GSC(u,β) are obtained for windmill graph Fs.
Sandwich coordination compounds, also known as metallocenes, are a fascinating class of organometallic compounds characterized by a metal atom sandwiched between two cyclopentadienyl anions [51]. The molecular graph for metallocenes can be represented as R2,5=K1⊗(2C5), where K1 stands for a transition metal (e.g., iron atoms, chromium atom), and C5 represents the cyclopentadienyl ring [52]. Like ferrocene and chromocene, many molecular structures can be represented by the molecular graph R2,n of the molecular sandwich structure. Therefore, our discussion on the influence of parameter β of generalized Gaussian subgraph centrality may further explain the physical and chemical properties of the molecular map of the sandwich structure, as shown in Table 3.
Table 3.
Values of GSC(u,β) are obtained for multicone graph R2,n.
As seen from the results in Tables 1, 2, and 3. When β=1 is used as the basis for calculating the generalized Gaussian subgraph centrality, F7 requires more digits to compute. As the number of Fn nodes increases, higher precision is required to obtain the results for Fn. Therefore, when β≤0.7, the result is conducive to the numerical analysis of the graph (network) and structural analysis. From a chemical analysis perspective, taking the molecular structure of ferrocene as an example, nodes with a higher degree are prone to substitution reactions, which correspond to nodes with generalized Gaussian subgraph centrality values close to 0. Therefore, appropriately increasing β may be beneficial in identifying the positions of atoms that are prone to substitution. So, the parameter β plays a significant role in understanding how variations in the molecular configuration can impact the reactivity and stability of metallocenes.
Below is the generalized Gaussian subgraph centrality formula for the graph, which utilizes a star set of graphs.
Theorem 3.5.Let X⊆V(H) and the adjacency matrix of the subgraph induced by X be AX. Consider X as a star set corresponding to an eigenvalue μ of graph H, and A=(AXT⊤TP). Suppose that Q=P−μI, C=Q−1TT⊤+Q. Then,
Remark 2.The emergence of the star complement technique is a method to study the problem of graph space and graph isomorphism. However, it is still challenging to find the maximal graphs corresponding to nice star complements; literature [53] still gives some small μ-rank (the value of t=n−s is as small as possible, where s is the multiplicity of the eigenvalues of μ) graphs with good structural characteristics. The order of the matrices of these small μ-rank graphs is much smaller than that of the adjacency matrices. Therefore, Theorem 3.5 can significantly improve the convergence rate of calculating the centrality of generalized Gaussian subgraphs in theory. However, we cannot find a good way to obtain nice star complements of graphs, which is also our future research direction.
4.
Bounds of generalized Gaussian Estrada index
In this section, we get some bounds of the generalized Gaussian Estrada index based on the count of vertices and edges in graph H. We determine the bounds of GEE(H,β) by some graph parameters as follows.
Theorem 4.1.Let H be a graph with n vertices and m edges, then
√n−4βm+n(n−1)e−4βmn≤GEE(H,β)≤n−2βm−1−ω+eω,
where ω=√2mβ2+mβ2(2mn−1+n−2) and the equality mentioned above is valid if and only if H≅¯Kn.
Proof. According to the generalized Gaussian Estrada index definition, we have
GEE2(H,β)=n∑i=1e−2βμ2i+2∑1≤i<j≤ne−βμ2ie−βμ2j.
From the arithmetic-geometric inequality ∑ni=1xin≥n√∏ni=1xi for positive number x, in which equality holds if and only if x1=x2=⋯=xn. For ∑ni=1μ2i=2m, we can obtain
Based on the previous derivation, it is evident that equality holds if and only if graph H has all eigenvalues equal to zero. This condition is only satisfied by the empty graph ¯Kn.
□
Next, we give another simple lower bound for GEE(H,β).
Theorem 4.2.Let H be a graph with n vertices and m edges, then
GEE(H,β)≥n−2βm,
the equality holds if and only if H≅¯Kn.
Proof. Similar to the analysis of Theorem 4.1, we have
Based on the previous derivation, it is evident that equality holds if and only if graph H has all eigenvalues equal to zero. This condition is only satisfied by the empty graph ¯Kn. □
5.
Conclusions
The Estrada index and subgraph centrality for exploring network structure and properties focus more on the influence of extreme eigenvalues on network structure and properties. Unlike the well-known Estrada index and subgraph centrality, GSC(u,β) and GEE(H,β), under the Gaussian function definition, assign more weight to zero eigenvalues (if they exist) and near-zero eigenvalues to the network structure. At the same time, GSC(u,β) and GEE(H,β) are highly related to frontier orbital theory in quantum chemistry, so studying GSC(u,β) and GEE(H,β) is valuable. In this paper, since every graph has EP and a star set, against this background, we give some new formulas to calculate GSC(u,β). We can obtain GSC(u,β) formulas using a smaller matrix than the adjacency matrix. The influence of the parameter β on the robustness of the formula is explored through experiments. In addition, we also give some bounds for GEE(H,β). Based on the above research and recent research results, our future work will study GSC(u,β) and GEE(H,β) of random and dynamic graphs.
Author contributions
Yang Yang: Writing-review & editing, Writing-original draft, Visualization, Validation, Supervision, Software, Project administration, Methodology, Investigation, Formal analysis, Data curation, Conceptualization. Yanyan Song: Writing-review & editing. Haifeng Fan: Writing-review & editing, Writing-original draft, Methodology, Investigation, Funding acquisition. Haiyan Qiao: Writing-review & editing, Funding acquisition. Yang Yang and Yanyan Song contribute equally to the article.
Use of Generative-AI tools declaration
The authors declare they have not used Artificial Intelligence (AI) tools in the creation of this article.
Acknowledgments
The authors would like to thank the editor and the kind anonymous referees for their insightful comments that helped to improve the paper's final edition. Hebei Province high-level talent funding project(B20221014, C20221079).
Conflict of interest
The authors declare no conflict of interest.
Conflict of interest
The author declares no conflict of interest.
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Figure 1. Schematic of autonomous image-assisted robotic intervention of drug-restricted delivery
Figure 2. Summarized illustration of a matched monitoring of an image-assisted robotic intervention with its virtual model. Physical and digital tissue phantoms reflect dynamic behaviors
Catalog
Abstract
1.
Introduction
2.
Preliminaries
3.
Calculation of generalized Gaussian subgraph centrality for graph