Abstract
The field related to indices was developed by researchers for various purposes. Optimization is one of the purposes used by researchers in different situations. In this article, a generalized Sombor index is considered. This work is related to the idea of optimization in the families of bicyclic graphs, trees, and unicyclic graphs. We investigated optimal values in the stated families by means of well-known transformations. The transformations include the following: Transformation A, Transformation B, Transformation C, and Transformation D. Transformation A and Transformation B increase the value of the generalized Sombor index, while Transformation C and Transformation D are used for minimal values.
1. Introduction
Problems related to daily life can be diagrammatically represented on paper by means of circles or dots. The relationships between these dots can be drawn using curves or lines. Mathematically, the considered structures of dots and curves have provided the concept of graphs. A graph is a mathematical structure consisting of nodes (vertices) denoted by the set . The connection between dots is called an edge, and the edge set is denoted by . In symbols, we represent a graph by . Here, the order of the considered graph is the total number of vertices, and the number of edges is the size of the graph. Let be two vertices of an edge e, and we denote this edge by . An edge joining the same vertex is called a loop. The number of incident edges to a vertex k is called its degree and is denoted by . A simple graph can be defined as a graph without loops or with multiple edges between the same pair of vertices. Two or more edges are said to be parallel if these edges are between the same pair of vertices. Furthermore, we refer to [1,2,3]. In this article, simple and finite graphs are considered; i.e., both and are finite.
A number in graphical terms representing the structure of a chemical is called a topological descriptor. Using the structural invariant property, a topological descriptor does not affect graph labeling. A molecular property combined with a topological descriptor is called a topological index. Furthermore, we refer to [4]. In different situations, topological indices (TIs) measure the strength of connection in chemical compounds. The Wiener index was the first topological index to be introduced. The idea of TIs leads the researchers to theoretical chemistry. We also refer to [5]. Although TIs were used in the field of chemical graph theory, applications of TIs have also been observed in other fields. Gutman and Mohar used topological indices in networks outside of chemical structures in 1996, referring to [6]. Otte and Rousseau investigated a social network using TIs in [7]. In [8], the authors investigated indices in networks that are interconnected.
In TIs, minimization and maximization are the fields of the most interest for various researchers. The desired field of optimization is related to chemical compounds in particular. Raman and Maranas created an algorithm for optimization combined with TIs that included Randi, Wiener and Kier indices [9]. In [2], the authors found optimal graphs for a general power–sum connectivity index in different classes. In [3], the authors investigated a second form of a general power–sum connectivity index in bicyclic graphs, trees, and unicyclic graphs. In [10], an interconnectivity index was optimized by the authors for polymers. In [11], simplex algorithms were used by the authors to optimize TIs for problems in chemical graph theory. In [12], Randi and Wiener indices were optimized for a terrain problem. In [13], upper and lower bounds for forgotten TIs were investigated. The authors provided new bounds for the index. In [14], sharp optimal bounds of a symmetric VDB TI were investigated regarding . In [15], lower and upper bounds for TIs in trees were investigated. In [16], the authors investigated inequalities for TIs in unicyclic graphs, and extremal unicyclic graphs were also characterized. The desired family contains the variable first Zagreb index and some others. In [17], symmetries of regular gons were considered regarding the optimal values and communication properties of dihedral groups. Topological optimization schemes for designing waveguides with symmetries in rotation and reflection were considered in [18]. Furthermore, we refer to [19,20,21] and the references therein.
In this work, the generalized Sombor index is considered in bicyclic graphs, trees, and unicyclic graphs. Optimal values in the families are investigated by means of well-known transformations. The generalized Sombor (GSO) index for graph G is considered as follows:
2. Transformation for Greatest Value of Generalized Sombor Index
Transformation A: Let with . Let . Let and be vertices of degree one, as in Figure 1.
Figure 1.
Graphs where Transformation A is applied on G, and is obtained.
Lemma 1.
Let G be a graph, apply Transformation A on G, we obtain for which the following is true:
Proof.
Using the definition of for , we obtain
Apply on G, we obtain
We considered the difference (2)–(3), in the following
For positive value in Equation (4), it follows that
As we have the following
From Equations (5) and (6), we obtain
□
Remark 1.
Using Transformation A repeatedly, we transform any tree to a star and bicyclic or unicyclic graphs to bicyclic or unicyclic graphs where all the non-cyclic edges are pendent, respectively.
Transformation B: Consider . Let adjacent leaves to be . Let adjacent leaves to v be , and are obtained such that and , as shown in the Figure 2.
Figure 2.
Transformation B is applied on G, and are obtained. In , all the pendants are attached to v. In , all the pendent edges are attached to .
Lemma 2.
Consider graph G. Using Transformation B on G, we obtain and , then either or .
Proof.
Consider . The following cases are considered for G, and .
Let and .
- Case 1. Consider G, if v and are not connected directly by an edge, then for we haveConsider , then is given byTaking , then is in the followingSuppose and , we consider the followingNow , if the following holdsIf then , we have the following for this
□
Remark 2.
We transform any bicyclic graph or unicyclic graph to a bicyclic graph or unicyclic graph, respectively, in which all the vertices with degree one are connected directly to the same vertex.
3. for Greatest Values
Let be unicyclic graph obtained from in which pendent edges are attached to the same vertex on , then using Lemmas 1 and 2, it follows that
Theorem 1.
Consider G be an unicyclic graph with order n and girth k, if G is not then .
Consider bicyclic graph . Here the order is n, and the size is . The considered bicyclic graph has been investigated for the Sombor index. We consider a connected and simple graph denoted by . Furthermore, for , every graph consists of cycles and in G. The following cases have been observed;
- (I)
- consists of , where and share one vertex in common.
- (II)
- consists of , where and share no common vertex.
- (III)
- contains , where the cycles and are connected by a common path of length l.
In Figure 3i–iii, vertex induced subgraphs on the cycles for (or , ) are provided, respectively.
Figure 3.
All considered bicyclic graphs. In (i), there is one common vertex between two cycles; In (ii), there is no common vertex or path; In (iii), there is a common path between two cycles.
4. Greatest in the Family
In this portion, we investigated in for optimal values. Let be from where pendent edges are attached directly to the common vertex of and , for this we provide Figure 4.
Figure 4.
The graph , where pendent edges are attached to the common vertex of the cycles.
Theorem 2.
is the graph with greatest in .
Proof.
Consider G and apply Transformation A and Transformation B. We obtain in which all the edges not on the cycle are connected directly to v. Using Lemmas 1 and 2, we obtain that with equality iff, all the non-cyclic edges are connected directly to the same vertex in G. If , then and v are different vertices and is vertex that is common between and .
Consider that v is on the cycle , we consider cases given below;
- Case 1. Consider that v and are not adjacent, the following is consideredfor , is considered in the followingConsider the following differenceHere, equality holds iff .
- Case 2. Consider that v and are connected directly by an edge in . Then,The following difference is consideredWhile equality holds iff .
□
For and , applying above theorem, it follows that is the unique graph with largest value for in .
Lemma 3.
(i) For we have ; (ii) For , we have .
Proof.
(i) As we have
Plug by , it follows that
From the above calculations, the following difference is considered
Hence, we have .
Consider (ii). We have the following:
Finally, we have . □
From Theorem 2 and Lemma 3, we obtain the following:
Theorem 3.
For every and , the unique graph of order n with largest value of is in .
5. for Greatest Values in
In the considered portion, the largest values in bicyclic graphs of are considered in . Let be the graph on n vertices and edges. Two cycles and are connected by a path of length . Here, pendent edges are connected directly to the common vertex of cycle and the path. We provide Figure 5a, and is given in Figure 5b. is the graph on edges and n vertices, obtained by connecting and by a path , the remaining edges are connected directly to v; see Figure 5c.
Figure 5.
(a) The graph , where pendent edges are attached to the common vertex between the cycle and path; (b) The graph , where the pendent edges are attached to the common vertex between the cycle and path; (c) The graph , where pendent edges are attached to vertex v on the path of length 2; (d) The graph where pendent edges are attached to v on the cycle ; (e) The graph where pendent edges are attached to the vertex v on the cycle ; (f) The graph where pendent edges are attached to vertex v on the path between and .
Theorem 4.
Let . Consider a common path of length δ of and , then
Proof.
Consider a path of shortest length denoted by , the considered path connects and in G. Let be the common vertex between P and , be the common vertex of P and . Using Transformation A and Transformation B on G continuously, we obtain as provided in Figure 5. In , all the vertices of degree one not on the cycles are connected directly to vertex v. Applying Lemmas 1 and 2, we obtain , with equality iff all the edges not on the cycles are pendent edges connected directly to the same vertex in G. We consider the cases given below.
- Case 1. If v is on with adjacent v and , we provided Figure 5d. Here, the following values are consideredis given by, is considered in the following:Hence, , with equality iff , Figure 6 is provided for equality.
Figure 6. Graph for , with adjacent v and . - If the vertices and v are directly connected by an edge in , we provide the values in the followingNext, we consider in the followingHence, we have , with equality iff . Figure 7 is provided for this.
Figure 7. Graph for , where and v are adjacent. - Case 2. Consider v on , this case is similar to Case 1. Figure 5e is provided for Case 2.
- When , then and the following value is consideredfor is considered in the following:We consider the difference of and in the followingFigure 8 is provided for the difference in Equation (27).
Figure 8. Graph for , with .If or , then for the value of is considered in the followingThe difference of and is in the followingFigure 9 is provided for the difference in the Equation (29).
Figure 9. Graph representing , where or .
□
Lemma 4.
, with equality iff .
Proof.
The previous theorem provided the following value:
For , the following is considered
Furthermore, we have the following difference:
Figure 10 is provided for the difference in Equation (32), with iff . For equality, Figure 11 is provided. □
Figure 10.
Graph for the difference .
Figure 11.
Graph for the difference , where .
Lemma 5.
For , .
Proof.
For the proof, we consider the following:
If , then , is considered in the following
Here, , it follows that
Replacing by in (33), it follows that
The difference of and is considered in the following
The difference is observed in Figure 12.
Figure 12.
Graph for the difference , where .
If , then the following is considered
For , it follows that
Consider in the following
Figure 13 is provided for the difference in Equation (34). □
Figure 13.
Graph for the difference , where .
Lemma 6.
, with equality iff .
Proof.
We know that
Put in (35), we obtain
The following difference is considered:
Figure 14 and Figure 15 are provided for the difference in Equation (36), with equality iff . □
Figure 14.
Graph for the difference , where and are not both 3.
Figure 15.
Graph for the difference , where .
The value of for and are easy to find, and we have .
Theorem 5.
In , is the unique tree with greatest for all and .
6. Greatest in
Bicyclic graph on cycles and is denoted by , where l is the length of the common path between and . Let be the resultant of the Figure 3iii, obtained by connecting vertices to the vertex of degree 3, as given in Figure 16i.
Figure 16.
(i) The graph , where all the pendent edges are attached to the vertex of degree three; (ii) The graph , where all the pendent edges are attached to the vertex of degree two; (iii) The graph , where all the pendent edges are attached to the vertex of degree two and there is a common path of length two between the cycles; (iv) The graph , where all the pendent edges are attached to the vertex of degree two on the common path of length two; (v) The graph , where all the pendent edges are attached to the vertex of degree two and there is a common path of length one between the cycles.
Theorem 6.
Consider a graph , then , with equality iff .
Proof.
Apply Transformation A and Transformation B continuously and repeatedly on G. is obtained where vertices not on the cycles with degree one are directly connected to vertex , that is in Figure 16. Apply Lemma 1 and Lemma 2, with equality iff all the vertices not on the cycles with degree one are connected directly to the same vertex in G.
Let be the path common between and in ; Figure 16 is provided for this. Let and be other paths joining and v on the cycles and , respectively; , , , , and .
Let is in where , is obtain where the edge is contracted and attach a pendent edge to . Then, we find that , since and . Hence, with equality iff .
Similarly, if two edges are in graph have end vertices of degree 2, then is obtained by deleting such edges and attaching two pendent edges to . Then, , therefore and . One can easily obtain that and . □
From the above discussion, we have
Theorem 7.
In bicyclic graphs, is unique and has the largest .
7. Transformation for Decreasing
In this section, we investigated the transformation used for decreasing .
Transformation C: Consider a simple connected graph G not , choose form . Let is obtained from G by labeling with of the path , here . Consider , we obtain by deleting and adding , we provide Figure 19.
Figure 19.
Graph provided for Transformation C.
Lemma 7.
Consider Figure 19, then .
Proof.
Applying , it follows that
follows that
Here we considered the following:
- Case 1: If and .
- In the considered case, the following value is considered:for is given byis considered in the following:Comparing terms of the above last inequality, we obtain .
- Case 2: If and .The following value is considered:for is given byThe difference of and is given in the followingComparing terms of the above last inequality we obtain that .
- Case 3: Consider and .The following value is considered:for is given in the following:The difference of and is considered in the following:Term by term comparison provided that , hence .
- Case 4: Consider and .In the desired case, the following value is consideredis considered in the following:The difference of and is considered in the following:Term by term comparison provided that . Hence it follows that .
□
Remark 3.
Using Transformation
C
repeatedly, we transform any tree to a path and decreases, Figure 20 is given for this.
Figure 20.
Remark of Transformation C.
Transformation D: Consider a graph G, let and v are in G. We obtain by marking with and v with of the considered paths and , respectively. Let be the graph which is obtained from by removing and add as in Figure 21.
Figure 21.
Graphical representation of Transformation D.
Lemma 8.
Consider and as in Figure 21, with , and , then
- (i)
- For , we have ;
- (ii)
- For and , we have .
Proof.
(i) As and , then we consider the following cases;
- Case 1. For and .In the considered case, for we have the following:is considered in the following:The difference of and is considered in the followingHence .
- Case 2. If and .In the considered case, we have in the followingis considered in the following:is considered in the following:Hence .
- Case 3. If and .In the considered case, is given byThe value of is considered belowis considered in the following:Here we have .
- Case 4. If and .In the considered case, is given byis considered in the following:The following difference is consideredHence and .(ii). For and , if v and are adjacent then the following is considered:is considered below.is considered in the following:The above inequality provided that .If v and are adjacent, thenFor , it follows thatis considered in the following:Hence and .
□
Remark 4.
Apply Transformation C and Transformation D repeatedly. We change every tree to a path and every unicyclic graph to a unicyclic graph in which the path is attached to the cycle. Any bicyclic graph can be transformed to a bicyclic graph where the path is attached to the graph in Figure 22 (Lemma 8(i)). We transform any bicyclic graph to a new bicyclic graph where the path is attached to the vertex of degree 2 (Lemma 8(ii)), general Sombor index minimizes.
Figure 22.
The considered bicyclic graphs , and .
Lemma 9.
Consider a graph given in the Figure 23, let us consider a path , where attached to vertex . We obtain from by removing and attach , then .
Figure 23.
Graph provided for Lemma 9.
Proof.
Here, and are not same. If , then the following is considered
is considered below.
Considering below
Let , then for the following is considered
is considered in the following:
is in the following:
We obtain that and . □
8. The Smallest in Trees, Unicyclic, and Bicyclic Graphs
In this section, the general Sombor index is investigated in trees, unicyclic, and bicyclic graphs for minimum values. From Lemma 7, it follows that
Theorem 8.
Consider a tree T of order n, if then .
Consider be a unicyclic graph obtained by attaching a path of length to . Using Lemmas 7 and 8, it follows that
Theorem 9.
Consider a unicyclic graph G with order n and girth k. If , then .
By means of Lemma 9, the following is obtained:
Theorem 10.
is the unique graph with smallest .
Let , , and be as shown in Figure 22. From Lemmas 7 and 9, the bicyclic graph with the smallest general Sombor index is given by
if v and are directly connected by an edge
if v and are not connected directly by an edge. We have the following differences:
Figure 24 is provided for the difference.
For the last inequality, we provide Figure 25.
Figure 24.
Graph for the difference .
Figure 25.
Graph for the difference .
Hence, it follows that
Theorem 11.
Let G be the family of bicyclic graphs of order n, then the largest is for the graph .
Theorem 12.
Let G be the family of bicyclic graphs of order n, then the smallest is for where the vertices of degree 3 are not adjacent, that is .
9. Conclusions
In this work, the generalized Sombor index is investigated for optimal values in graphs. Various transformations are used for obtaining graphs with optimal values in the family of bicyclic graphs, trees, and unicyclic graphs. The considered transformations are simple and very easy to understand. The effectiveness of these transformations has been demonstrated through rigorous theorems and visualized using comparative plots. Our results contribute to the deeper understanding of the behavior of the generalized Sombor index and offer useful tools for future studies in topological indices.
Author Contributions
Conceptualization, G.A. and I.-L.P.; Methodology, M.K., M.Y.K. and I.-L.P.; Software, M.K. and M.Y.K.; Formal analysis, G.A.; Resources, I.-L.P.; Writing—original draft, M.K. and M.Y.K.; Writing—review & editing, G.A.; Funding acquisition, I.-L.P. All authors have read and agreed to the published version of the manuscript.
Funding
This research received no external funding.
Data Availability Statement
Data are contained within the article.
Conflicts of Interest
The authors declare no conflicts of interest.
References
- Balakrishnan, V.K. Schaum’s Outline of Theory and Problems of Graph Theory; McGraw-Hill: New York, NY, USA, 1997. [Google Scholar]
- Khan, M.Y.; Ali, G.; Popa, I.L. Optimization of General Power-Sum Connectivity Index in Uni-Cyclic Graphs, Bi-Cyclic Graphs and Trees by Means of Operations. Axioms 2024, 13, 840. [Google Scholar] [CrossRef]
- Khan, M.Y.; Ali, G.; Popa, I.L. Optimization in Symmetric Trees, Unicyclic Graphs, and Bicyclic Graphs with Help of Mappings Using Second Form of Generalized Power-Sum Connectivity Index. Symmetry 2025, 17, 122. [Google Scholar] [CrossRef]
- Diudea, M.V.; Gutman, I.; Jantschi, L. Molecular Topology; Nova Science Publishers: Huntington, NY, USA, 2001. [Google Scholar]
- Mahasinghe, A.C.; Erandi, K.K.W.H.; Perera, S.S.N. Optimizing Wiener and Randić Indices of Graphs. Adv. Oper. Res. 2020, 2020, 3139867. [Google Scholar] [CrossRef]
- Gutman, I.; Mohar, B. The quasi-Wiener and the Kirchhoff indices coincide. J. Chem. Inf. Comput. Sci. 1996, 36, 982–985. [Google Scholar] [CrossRef]
- Otte, E.; Rousseau, R. Social network analysis: A powerful strategy, also for the information sciences. J. Inf. Sci. 2002, 28, 441–453. [Google Scholar] [CrossRef]
- Imran, M.; Hayat, S.; Mailk, M.Y.H. On topological indices of certain interconnection networks. Appl. Math. Comput. 2014, 244, 936–951. [Google Scholar] [CrossRef]
- Kier, L.B. Indexes of molecular shape from chemical graphs. Med. Res. Rev. 1987, 7, 417–440. [Google Scholar] [CrossRef] [PubMed]
- Camarda, K.V.; Maranas, C.D. Optimization in polymer design using connectivity indices. Ind. Eng. Chem. Res. 1999, 38, 1884–1892. [Google Scholar] [CrossRef]
- Matamala, A.R.; Estrada, E. Generalised topological indices: Optimisation methodology and physico-chemical interpretation. Chem. Phys. Lett. 2005, 410, 343–347. [Google Scholar] [CrossRef]
- Preuß, M.; Dehmer, M.; Pickl, S.; Holzinger, A. On terrain coverage optimization by using a network approach for universal graph-based data mining and knowledge discovery. In Brain Informatics and Health, Proceedings of the International Conference, BIH 2014, Warsaw, Poland, 11–14 August 2014; Proceedings; Springer International Publishing: Berlin/Heidelberg, Germany, 2014; pp. 564–573. [Google Scholar]
- Che, Z.; Chen, Z. Lower and upper bounds of the forgotten topological index. MATCH Commun. Math. Comput. Chem. 2016, 76, 635–648. [Google Scholar]
- Monsalve, J.; Rada, J. Sharp upper and lower bounds of VDB topological indices of digraphs. Symmetry 2021, 13, 1903. [Google Scholar] [CrossRef]
- Martínez-Pérez, Á.; Rodríguez, J.M. New bounds for topological indices on trees through generalized methods. Symmetry 2020, 12, 1097. [Google Scholar] [CrossRef]
- Martínez-Pérez, Á.; Rodríguez, J. M Upper and lower bounds for topological indices on unicyclic graphs. Topol. Its Appl. 2023, 339, 108591. [Google Scholar] [CrossRef]
- Wei, C.C.; Salman, M.; Ali, U.; Rehman, M.U.; Khan, M.A.A.; Chaudary, M.H.; Ahmad, F. Some topological invariants of graphs associated with the group of symmetries. J. Chem. 2020, 2020, 6289518. [Google Scholar] [CrossRef]
- Chu, P.; Li, Y.; He, Z.; Li, E.; Ozgun, O.; Venbosch, G.A.; Zheng, X. A group theory based topology optimization scheme for the design of inhomogeneous waveguides with dihedral group symmetries. Eng. Anal. Bound. Elem. 2024, 166, 105845. [Google Scholar] [CrossRef]
- Öztürk Sözen, E.; Alsuraiheed, T.; Abdioğlu, C.; Ali, S. Computing topological descriptors of prime ideal sum graphs of commutative rings. Symmetry 2023, 15, 2133. [Google Scholar] [CrossRef]
- Balasubramanian, K. Topological indices, graph spectra, entropies, Laplacians, and matching polynomials of n-dimensional hypercubes. Symmetry 2023, 15, 557. [Google Scholar] [CrossRef]
- Kosaka, I.; Swan, C.C. A symmetry reduction method for continuum structural topology optimization. Comput. Struct. 1999, 70, 47–61. [Google Scholar] [CrossRef]
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