1. Introduction
Over the past several years, the efficient computing of matrix functions has emerged as a prominent area of research. Symmetry plays a significant role in the study of matrix functions, particularly in understanding their properties, behavior, and computational methods. Symmetry principles are widely used in physics and engineering to analyze and solve problems involving matrix functions. For instance, in quantum mechanics, symmetric matrices often arise in the context of Hamiltonians, and efficient computation of matrix functions is crucial for simulating quantum systems and predicting their behavior. In order to compute matrix functions, various iterative schemes have been suggested, which include methods for the evaluation of matrix sign function. The scalar sign function defined for 
 such that 
 which is given as,
      
      is extended to form the matrix sign function. Roberts [
1] introduced the Cauchy integral representation of the matrix sign function in 1980, given by
      
      which can be applied in model reduction and in solving algebraic Riccati and Lyapunov equations. Recall the definition of matrix sign function 
 via the Jordan canonical form [
2], in which if 
 is the Jordan decomposition of 
A such that 
, then
      
      where 
 has no eigenvalue on the imaginary axis, 
P is a nonsingular matrix, and 
p and 
 are sizes of Jordan blocks 
, 
 corresponding to eigenvalues lying in left half plane 
 and right half plane 
, respectively.
In the pursuit of evaluating 
 as a solution of
      
Roberts applied Newton’s method (
) resulting into the following iterative formula:
      with the initial matrix 
 and convergence of order two.
Another alternative is accelerated Newton’s method (
) that can be achieved via norm scaling parameter in (
5) given by,
      
In order to improve the convergence, acceleration and scaling of iteration (
5), Kenney and Laub [
3,
4] suggested a family of matrix iterations by employing the Padé approximant to the function
      
      where 
 and taking into the consideration
      
Let 
-Padé approximant to 
 with 
 is denoted as 
, then
      
      converges to 
 if 
 and it has convergence rate equal to 
. So, the 
-Padé approximant iteration (
) for computing 
 is
      
These iterations were later investigated by Gomilko et al. [
5]. Other popular iterative approaches for 
, such as the Newton-Schulz method 
 [
6]
      
      and Halley’s method 
 [
2]
      
      are either members of the Padé family (
10) or its reciprocal family.
A recent fifth order iterative method [
7] (represented as Lotfi’s Method (
)) for 
 can be investigated and is given by
      
For more recent literature on matrix sign function, one can go through references [
8,
9,
10].
Motivated by constructing efficient iterative methods like the methods discussed above and to overcome on some of the drawbacks of the existing iterative methods, here we aim to propose a globally convergent iterative method for approximation of 
. Matrix sign function has several application in scientific computing (see e.g., [
11,
12]). Another applications of matrix sign function include solving various matrix equations [
13], solving stochastic differential equations [
14] and many more.
In this article, we present a fifth order iterative scheme for evaluation of 
. The outline for the rest of the article is defined here: In 
Section 2, the construction of new iterative scheme for evaluating matrix sign function has been concluded. In 
Section 3, basins of attraction guarantees the global convergence of developed method. Also, convergence analysis for the fifth rate of convergence is discussed along with stability analysis. Then the proposed method is extended to determine the generalized eigenvalues of a regular matrix pencil in 
Section 4. Computational complexity is examined in 
Section 5. Numerical examples are provided to evaluate the performance and to demonstrate the numerical precision of suggested method in 
Section 6. The final conclusion is presented in 
Section 7.
  2. A Novel Iterative Method
In this section, we have developed an iterative method for evaluation of 
. The primary goal is to develop the scheme by examining the factorization patterns and symmetry of existing schemes rather than using a non-linear equation solver [
13]. We aim to design an iterative formula that does not conflict with the Padé family members (
9) or its reciprocals.
If we assume the eigenvalues to converge to 1 or 
, and we aim to get a higher convergence order five, then the iterative formula will satisfy the equation
      
If we solve Equation (
14) for 
, then we get
      
Nevertheless, the formula mentioned above is not a novel one, as it is a member of Padé family (
9). So, we make some modifications in (
14) so that the formula becomes better in terms of converegnce as follows:
      provided that 
. Solving (
16) for 
, we get
      
      which contains a polynomial of degree 5 in the numerator and a polynomial of degree 6 in the denominator. From (9), it is clear that Padé family has a unique member with a polynomial of degree 
 in numerator and a polynomial of degree 
 in denominator for each 
. So 
 and 
 will result into 
 and 
, i.e., 
 and will have order 
 which is different from the order 5 that we are achieving. So, the above formula (
17) is not a part of the family (
9) or reciprocals of (
9) and therefore our proposed method (
) is as follows:
      where 
 is the appropriate initial guess which we discuss in 
Section 3.
Remark 1. Convergence can be slow if  for some l. In that situation, it is advisable to introduce the scaling parameter  [15] given as,to speed up the convergence [16] of the scheme.  Hence, we also present the accelerated proposed method (
) which is accelerated version of (
18) given by
      
      where 
 and 
.
  3. Convergence and Stability Analysis
In this section, we discuss the convergence analysis to ensure that the sequence generated from (
18) converges to 
 for a matrix 
. We draw the basins of attraction to confirm the global convergence of the proposed scheme and compared with the existing schemes for solving 
 [
17].
We consider a region . The region has grid size of  and has two simple roots  and 1. The convergence was determined by the stopping criteria . The exact location of roots is shown by two white dots within the basins. The dark blue color (left side of basins) represent the convergence region corresponding to the root  and the light blue color (right side of basins) represent the convergence region corresponding to the root .
Figure 1 illustrates the basins for 
 (
5), 
 (
11), 
 (
12), 
 (
10), and the proposed method 
 (
18). It is evident from 
Figure 1b,d that methods 
 and 
 exhibit local convergence, while the other methods exhibit the global convergence. Moreover, 
Figure 1e,f illustarte broader and lighter basins of attraction because of higher convergence order of 
 and 
 as compared to the basins of 
 and 
 as shown in 
Figure 1a,c. One can notice the symmetry in convergence region of each method. The convergence regions are symmetric about imaginary axis.
 After achieving global convergence of the proposed method, it is important to examine certain critical factors related to matrix iterations, including convergence rate and numerical stability.
  3.1. Convergence Analysis
Theorem 1. Suppose that the initial matrix  has no eigenvalue on the imaginary axis, then the sequence of matrices  generated from (18) converges to .  Proof.  Let 
 be Jordan decomposition of matrix 
 and consider
          
          where 
R is the rational function linked to (
18). Consequently, this will lead to the mapping of an eigenvalue 
 of 
 to an eigenvalue 
 of 
. Also, 
R will satisfy the properties given as follows:
          
∀.
 with  converges to , where .
To achieve this objective, consider 
 as the Jordan decomposition of 
A that can be modified as [
2]
          
          where 
P is a non singular matrix while Jordan blocks 
C and 
N are associated to the eigenvalues in 
 and 
 respectively. Let the principal diagonals of blocks 
C and 
N have values 
 and 
 respectively. Then
          
Now, define a sequence 
 with 
. Then from (
18), we get
          
Mathematical induction states that all ’s for  will be diagonal if  is diagonal. When  is not diagonal, the proof may be considered in the similar methodology as stated at the end of the proof.
Now, (
25) can be written for scalar case 
 as follows:
          
          where 
 and 
. Furthermore, 
, with 
 and therefore from (
26),
          
The factor 
 is bounded for 
 and does not affect the convergence. Furthermore, by selecting the right initial matrix 
 and 
, we get
          
          implying that 
 and hence 
.
In the case when 
 is not a diagonal matrix, it is essential that we investigate the relation between the eigenvalues of 
’s which was briefly explained at the starting of the proof.
          
In a comparable approach, it is clear from (
29) that 
’s will converge to 
, i.e.,
          
As a result, it is easy to conclude that
          
          which finishes the proof.    □
 Theorem 2. Considering the assumptions of Theorem 1, the matrix sequence  generated from (18) has convergence rate five to .  Proof.  Since, 
 depends on matrix 
A∀
 and the matrix 
A commutes with 
S, so 
 also commutes with 
S∀
. Taking into consideration the substitution
          
          we get,
          
Apply any type of matrix norm to the both sides of (
33),
          
This completes the proof.    □
   3.2. Stability Issues
Theorem 3. Considering the assumptions of Theorem 1, the sequence of matrix iterations  generated from (18) is stable asymptotically.  Proof.  The iterate obtained from (
18) is a function of 
A because of 
, and hence commutes with 
A. Let 
 be the perturbation generated at 
 iterate in (
18). Then
          
Based on the results of the error analysis of order one, we may consider that 
, 
. As long as 
 is small enough, this usual adjustment will work. Also suppose that 
 for larger 
l, then we get
          
Here, the identity [
18] given by
          
          has been applied, where 
B is any nonsingular matrix and 
C is any matrix. Also, considering 
, we get
          
At this point, it is possible to deduce that 
 is bounded, i.e.,
          
          which completes the proof.    □
   4. Extension to Determine Generalized Eigenvalues of a Matrix Pencil
Let 
. Then 
 is said to be a generalized eigenvalue of a matrix pencil 
 if there exists a non-zero vector 
 such that
      
Here 
 will be a generalized eigenvector corresponding to 
 and (
40) is referred as a generalized eigenvalue problem. This can be determined by finding the zeros of characteristic polynomial 
.
Complex problem solving in physics was the first scenario for the appearance of the characteristic polynomial and the eigenproblem. For a recent coverage of the topic one can see [
19]. When more generality is needed, generalized eigenvalue problem is taking the place of the classical approach [
20].
Problem (
40) arises in several fields of numerical linear algebra. However, the dimensions of matrices 
A and 
B are typically quite enormous, hence further complicating the situation. There are a lot of different approaches that claim to be able to solve (
40) including the necessary eigenvectors in a smaller subspace or series of matrix pencils [
21,
22,
23] or using matrix decomposition [
24,
25,
26]. Our interest is in employing the matrix sign function which involves evaluating certain matrix sign computations based on the given matrix pencil to compute the required decomposition and hence to solve the problem (
40).
To solve the problem (
40) for the case of regular matrix pencils using matrix sign function, we consider rank revealing 
 decomposition [
27] after computing sign of two matrices depending on the given matrix pencil.
Theorem 4. Let  such that  be a regular matrix pencil and let  and  are defined aswhere  and  are sign functions given by If  and  are  decompositions of  and  such that  and  are upper triangular, thenwhere ’s are eigenvalues of ,  and  are the diagonal entries of  and  respectively for . Moreover, if B is non-invertible, then  for some i which implies that some eigenvalues of  will be infinity.  Let 
 denotes tolerance value and 
 be the maximum iterations. Then, in accordance with the proposed method (
18) and Theorem 4, we propose Algorithm 1 to find out the eigenvalues of a regular matrix pencil 
.
      
| Algorithm 1 Evaluating generalized eigenvalues of  | 
Require:  Ensure: 
 -   1:
 Initialize . -   2:
 while  and  do -   3:
 -   4:
         return . -   5:
 end while -   6:
 Construct  decomposition of  as follows: . -   7:
 Initialize . -   8:
 Repeat step 2–5 to return . -   9:
 Construct  decomposition of  as follows: . - 10:
 Compute two matrices  and , where . - 11:
 if  ∀  then - 12:
      for i=1:n do - 13:
           . - 14:
      end for - 15:
 end if 
  | 
  6. Numerical Aspects
In this section, we have examined a variety of examples to evaluate our proposed method by comparing it with various existing techniques. For this study, we have assumed the following stopping criteria:
      where 
 stands for the tolerance value and 
 will be suitable matrix norm. Also, 
 and 
 norms are considered for real and complex input matrices, respectively [
14].
For the sake of comparison, we only consider the methods that exhibit global convergence and we do not include any methods that have local convergence. The methods that are being compared will be 
 (
5), 
 (
6), 
 (
12), 
 ((
10) for 
), 
 (
13), 
 (
18) and 
 (
20) with spectral scaling (
19). All simulations are done in Mathematica using system specifications “Windows 11 Home Intel(R) Core(TM) i7-1255U CPU running at 1.70 GHz processor having 16.0 RAM (64-bit operating system)”.
Example 1. Here, we perform the eigenvalue clustering of a random real  matrix given as
SeedRandom[100]; A = RandomReal[{-5,5},{500,500}];
 The outcomes are shown in 
Figure 3 using the stopping criteria (
45) with 
 norm and 
. We can see that eigenvalues of 
 are scattered at the initial stage as shown in 
Figure 3a, while proceeding for the next iterations 
 in 
Figure 3b–g for 
 respectively using 
 (
18), the eigenvalues are converging towards 1 or 
. Then in 
Figure 3h, all eigenvalues converge to 1 or 
 (based on the stopping criteria) implying that the sequence of matrices 
 converges to 
. The result of Theorem 1 is therefore confirmed.
Example 2. In this example, convergence of many different methods for computing  has been compared, where A is a random  complex square matrix given as follows:
SeedRandom[101];
A = RandomComplex[{-1 - 1.5 I, 1 + 1.5 I}, {1000, 1000}]
 The comparison is shown in 
Figure 4 with 
 and 
 norm which illustrates the results with regard to the number of iterations and the absolute error and demonstrates the consistent behavior of both 
 and 
.
Example 3. This example presents a comparison on convergence of many different methods for computing , where A is a random  real square matrix given as
 
SeedRandom[111];
A = RandomReal[{-25, 25}, {2000, 2000}];
 The comparison is presented in 
Figure 5 with 
 and 
 norm which illustrates the results with respect to the number of iterations and the absolute error and demonstrates the consistent behavior of both 
 and 
 for evaluating 
.
Example 4. Here, we examine the convergence of various methods with regard to the iteration number and the timings of CPU for evaluating the sign function of ten random matrices:
 
SeedRandom[121]; number = 10; tolerance = 10^(-5);
Table[A[j] = RandomComplex[{-3 - 2 I, 3 + 2 I}, {50j, 50j}];, {j, number}];
 The comparative analysis based on iteration number and CPU timings for matrices of various sizes, are presented in 
Table 2 and 
Table 3 respectively using 
 and 
-norm. The implementation of new methods 
 and 
 result in an improvement in the average iteration number and the amount of time spent by CPU. The outcomes demonstrate that the suggested method 
 is significantly better as compared to other fifth order methods like 
 and 
.
Now, in Examples 5 and 6, we aim to evaluate generalized eigenvalues of matrix pencils using matrix sign function for which we use Algorithm 1 for different methods by replacing (
18) with existing methods in Step 3.
Example 5. Let  be a matrix pencil, where matrices A and B are given by [30]where  is the identity matrix of size 20.  The eigenvalues of given pencil 
 are 
 for 
 and remaining eigenvalues are infinite. We verify these eigenvalues using proposed method and Algorithm 1. We compute the matrices 
 and 
 and then calculate 
 from Algorithm 1. The outcomes are presented in 
Table 4 for 
.
Moreover,  for  which implies that  for . Hence this example verifies the results given in Theorem 4.
Example 6 (Bounded finline dielectric waveguide problem)
. The generalized eigenvalue problem (40) arises in the finite element analysis for finding the propagating modes of a rectangular waveguide. We consider three cases for the pairs of matrices A and B as ;  and  from the Matrix Market [31].  Table 5 shows the outcomes depending on the iteration numbers 
 and 
 for computing 
 and 
 with corresponding absolute errors 
 and 
 using stopping criterion (
45) with 
. Also, total computational time in seconds taken for computing 
 and 
 has been compared in 
Figure 6. The outcomes demonstrate that the suggested method is better with respect to errors and timings.