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            Linda Kaufman
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LINDA KAUFMAN†
                                                                                                                                           Abstract. Maxwell’s equation for modeling the guided waves in a circularly symmetric fiber
                                                                                                                                       leads to a family of partial differential equation–eigenvalue systems. Incorporating the boundary
                                                                                                                                       condition into a discretized system leads to an eigenvalue problem which is nonlinear in only one
                                                                                                                                       element. In fiber design one would like to determine the index profile which is involved in Maxwell’s
                                                                                                                                       equation so that certain optical properties, which sometimes involve derivatives of the eigenvalues,
                                                                                                                                       are satisfied. This contribution discusses how to handle the nonlinear eigenvalue problem and how
                                                                                                                                       to determine derivatives of the eigenvalue problem.
DOI. 10.1137/S0895479803432708
                                                                                                                                       wpunj.edu).
                                                                                                                                                                                       105
                                                                                                                                       106                                                                    LINDA KAUFMAN
                                                                                                                                                                                         3
                                                                                                                                                                                     x 10
                                                                                                                                                                                 6
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                                                                                                                                                                                 4
                                                                                                                                                refractive index profile η
                                                                                                                                                                             2
                                                                                                                                                                                     0              5             10             15             20     25
                                                                                                                                                                                                                 radius (microns)
–0.5
                                                                                                                                                        S(eigenvalue)
                                                                                                                                                                         –1
–1.5
–2
                                                                                                                                                                        –2.5
                                                                                                                                                                            0     0.5   1    1.5    2        2.5   3   3.5      4
                                                                                                                                                                                                eigenvalue
                                                                                                                                       more suitable. A production run may require solving thousands of nonlinear eigen-
                                                                                                                                       value problems and then finding derivatives of the computed eigenvalues with respect
                                                                                                                                       to the parameters that define the matrix.
                                                                                                                                            2. The nonlinear problem. In this section three methods are considered for
                                                                                                                                       finding the positive eigenvalues and their corresponding eigenvectors of the nonlinear
                                                                                                                                       eigenvalue problem (1.3). For m = 0, s(μ) is displayed in Figure 2.1. Usually only
                                                                                                                                       one or two eigenvalues are positive.
                                                                                                                                            The first method is a simple Picard iteration.
                                                                                                                                       Picard iteration
                                                                                                                                       Let B = A + s(0)en eTn
                                                                                                                                       Until convergence
                                                                                                                                              Find μ, a specific positive eigenvalue of B.
                                                                                                                                              Reset B to A + s(μ)en eTn
                                                                                                                                            The matrix B is also tridiagonal and differs from A only in its bottom right
                                                                                                                                       element. The eigenvalues of B were determined using the bisection code in EISPACK
                                                                                                                                       [12] modified as in Kaufman [7] so that the inertia of the complete matrix was not
                                                                                                                                       computed when the inertia of only part of the matrix sufficed. However, because there
                                                                                                                                       were such good guesses for the eigenvalues and eigenvectors from previous iterations
                                                                                                                                       of the optimization procedure it was much more efficient to use a Rayleigh quotient
                                                                                                                                       iteration to determine μ.
                                                                                                                                       Linear Rayleigh quotient algorithm for a fixed B
                                                                                                                                       (in the inner loop of the Picard iteration)
                                                                                                                                       Determine a lower bound μl and an upper bound μu for the desired eigenvalue μ.
                                                                                                                                       Set μ0 to μl .
                                                                                                                                       Set x = e , the vector of all 1’s or a good guess if available.
                                                                                                                                       Set k to 0.
                                                                                                                                       Until convergence
                                                                                                                                              Solve (B − μk I)y = x and determine the inertia of (B − μk I)
                                                                                                                                              If the inertia claims that μk is less than μ, reset μl to μk
                                                                                                                                              If the inertia claims that μk is greater than μ, reset μu to μk
                                                                                                                                              Set α = y T By/(y T y)
                                                                                                                                       108                                 LINDA KAUFMAN
                                                                                                                                                                                Table 2.1
                                                                                                                                                               The growth of | s (μ) | as μ approaches zero.
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                                                                                                                                       (2.5)                               μ=                       .
                                                                                                                                                                                 y T y − s (μ)yn 2
                                                                                                                                           With the linear Rayleigh quotient algorithm given above, the bounds on the
                                                                                                                                       eigenvalue estimates ensure that the algorithm is converging to the correct eigenvalue.
                                                                                                                                       The bounds can be obtained by examining the Bunch–Parlett decomposition [2], which
                                                                                                                                       dictates that one can find a lower triangular matrix L and a block diagonal matrix D
                                                                                                                                       with 1 × 1 blocks and 2 × 2 blocks such that
(2.6) B − μI = LDLT .
where μ satisfies
                                                                                                                                       Newton’s method for determining the root of (2.7) determines the new approximation
                                                                                                                                       of γnew using the formula
                                                                                                                                                                                      γ − s(μ(γ))
                                                                                                                                       (2.8)                           γnew = γ −          df
                                                                                                                                                                                                    .
                                                                                                                                                                                           dγ
                                                                                                                                       Note that
                                                                                                                                                                            df     ds dμ
                                                                                                                                                                               =1−
                                                                                                                                                                            dγ     dμ dγ
                                                                                                                                                                              dμ
                                                                                                                                                                                 x = en eTn x.
                                                                                                                                                                              dγ
                                                                                                                                       Thus each iterate of Newton’s method for minimizing (2.7) would set the new approx-
                                                                                                                                       imation of γnew to
                                                                                                                                                                                      γ − s(μ(γ))
                                                                                                                                       (2.9)                         γnew = γ −                       ,
                                                                                                                                                                                    1 − dμ
                                                                                                                                                                                         ds
                                                                                                                                                                                            (xT en )2
                                                                                                                                       matrix D whose first n − 1 diagonal elements are negative but whose right corner
                                                                                                                                       element dn is positive. In this case the matrix has one nonnegative eigenvalue and
                                                                                                                                       if γ = −dn , then the largest eigenvalue of A + γen eTn is 0. For m = 0, s(0) = 0,
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                                                                                                                                       which means f (−dn ) < 0. If one of the first n − 1 elements of the D matrix in the
                                                                                                                                       Bunch–Parlett decomposition is negative, then any very large negative number can
                                                                                                                                       be used as a lower bound for γ.
                                                                                                                                            In the formal definition of Newton’s method given below, to find one positive
                                                                                                                                       eigenvalue of the nonlinear eigenvalue problem an upper and a lower bound are first
                                                                                                                                       determined and subsequently the bounds are adjusted so that the root of f is always
                                                                                                                                       bracketed. If the Newton step is outside the bound, then a step that is 90% of the
                                                                                                                                       distance to the bound is taken. If the chosen step does not decrease the norm of f ,
                                                                                                                                       the step size is reduced by 4. To determine several eigenvalues, the algorithm is used
                                                                                                                                       first to determine the largest eigenvalue, the bounds are adjusted to find subsequent
                                                                                                                                       eigenvalues, and the linear Rayleigh quotient solver is ask to find a specific numbered
                                                                                                                                       eigenvalue.
                                                                                                                                       Safeguarded Newton’s method
                                                                                                                                       Set γu , an upper bound for γ to 0.
                                                                                                                                       Find γl , a lower bound for γ as follows:
                                                                                                                                             Determine D, the diagonal matrix of the Bunch–Parlett decomposition
                                                                                                                                                   of A.
                                                                                                                                             If none of the elements of D are positive, there is no positive eigenvalue.
                                                                                                                                             If one of the first n − 1 elements of D is greater than 0, set γl to a
                                                                                                                                                   very large negative number else set γl = −dn
                                                                                                                                       If an initial eigenvalue μ0 is available, set γ0 = s(μ0 ), otherwise set γ0 = γu ;
                                                                                                                                       Set k to 0.
                                                                                                                                       Until convergence
                                                                                                                                             Find μ > 0 and x such that (A + γk en eTn )x = μx using the linear
                                                                                                                                                   Rayleigh quotient algorithm
                                                                                                                                             Set f = γk − s(μ); r = abs(f )
                                                                                                                                             If f > 0
                                                                                                                                                   if γk ≤ γu set γu = γk
                                                                                                                                             If f < 0
                                                                                                                                                   if γk ≥ γl set γl = γk
                                                                                                                                             if (k > 1 and r > minr)
                                                                                                                                                   Set γchange = γchange /4
                                                                                                                                                   Set γk+1 = γk + γchange
                                                                                                                                             else
                                                                                                                                                   Set minr to r
                                                                                                                                                   Set γk+1 = γk − 1−γdsk −s(μ)
                                                                                                                                                                          (xT e )2
                                                                                                                                                                     dμ    n
                                                                                                                                                                                    Table 3.1
                                                                                                                                            The course of the Picard iteration, the nonlinear Rayleigh quotient, and the Newton approach
                                                                                                                                       with z = .5 in (3.1).
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                                                                                                                                       in the literature.
                                                                                                                                           3.1. A small example. In this section we consider the following small problem:
                                                                                                                                                                    ⎧
                                                                                                                                                                    ⎨ −2 + z, 1 ≤ i ≤ 5,
                                                                                                                                       (3.1)                 ai,i =    −2 − z, i = 6, 7,
                                                                                                                                                                    ⎩
                                                                                                                                                                       −2,        8 ≤ i ≤ 12,
                                                                                                                                       and for 1 ≤ i ≤ 11
                                                                                                                                                                                         
                                                                                                                                       (3.2)                  ai+1,i = ai,i+1 = (i + .5)/ (i + 1) × (i + 2).
                                                                                                                                            The function s(μ) involved computing the modified Bessel function of the second
                                                                                                                                       kind calculated using ACM Algorithm 484 [3].
                                                                                                                                            For z = .5, the largest eigenvalue is about .359, where s(μ) is not very steep,
                                                                                                                                       and all three methods behaved rather well, as Table 3.1 indicates. The rate of
                                                                                                                                                                                             ds 2
                                                                                                                                       convergence for the Picard iteration is based on dμ      xn /(xT x). For this value of z,
                                                                                                                                       as the algorithm converged, dμ was about −1.08, xn was about −.00242, so that
                                                                                                                                                                         ds
                                                                                                                                                                   −6
                                                                                                                                       dμ xn /(x x) ≈ −6.36 × 10
                                                                                                                                        ds 2    T
                                                                                                                                                                      , suggesting fast convergence. Note for Newton’s method
                                                                                                                                       the eigenvalue corresponding to γ is given.
                                                                                                                                            For z = .081, the largest eigenvalue is about 3.2 × 10−4 , where the s function is
                                                                                                                                                                                                                    ds
                                                                                                                                       rather steep. For this value of z, as the Picard algorithm converged, dμ        was about
                                                                                                                                                                                                           −3
                                                                                                                                       −3.23, xn was about −.047, so that dμ xn /(x x) ≈ −5.56 × 10 , which is approx-
                                                                                                                                                                                ds 2     T
                                                                                                                                       imately the square root of the previous example. The Picard iteration algorithm
                                                                                                                                       required 9 outer iterations and 42 inner iterations, which is far more than 14 required
                                                                                                                                       by the nonlinear Rayleigh quotient and the 13 required by the Newton approach. The
                                                                                                                                       course of the algorithms is shown in Table 3.2. Note that the first three iterations
                                                                                                                                       of the nonlinear Rayleigh quotient iteration produced iterates that were negative and
                                                                                                                                       then were forced to be positive.
                                                                                                                                            Results like those obtained in Table 3.2 for the Picard iteration have stimulated
                                                                                                                                       the search for other algorithms that might not have linear convergence. It was hoped
                                                                                                                                       that the nonlinear Rayleigh quotient algorithm would be cubically convergent and
                                                                                                                                       one could mimic the proof of cubic convergence given in Parlett [11], but when an
                                                                                                                                                                                                    ds
                                                                                                                                       eigenvalue approached zero, one could not easily bound dμ       . Moreover, problems like
                                                                                                                                       that given in (3.2) suggested that the algorithm was linearly convergent. Table 3.3
                                                                                                                                       shows the rate of convergence of the Picard and nonlinear Rayleigh quotient iteration.
                                                                                                                                       In the table μ̂ refers to the solution.
                                                                                                                                           3.2. A fiber optics problem. The nonlinear Rayleigh quotient algorithm and
                                                                                                                                       the Newton approach were also applied to a more realistic problem that was posed
                                                                                                                                       by Lenahan and Friedrichsen [10] for m = 1 involving a core region of silicon dioxide
                                                                                                                                                                  EIGENVALUES IN FIBER OPTIC DESIGN                                           113
                                                                                                                                                                                    Table 3.2
                                                                                                                                            The course of the Picard iteration, the nonlinear Rayleigh quotient, and the Newton approach
                                                                                                                                       with z = .081 in (3.1).
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                                                                                                                                                                                    Table 3.3
                                                                                                                                                                        Rates of convergence with z = .081.
                                                                                                                                       doped with germanium surrounded by a region of pure silicon dioxide. The index
                                                                                                                                       profile for the core region had the form
                                                                                                                                       where e(ω)is the index of pure silicon dioxide, C(r) denotes the dopant concentration,
                                                                                                                                       and h is a function of the Sellmeier coefficients [5] at ω and the reference frequency.
                                                                                                                                       We started with an example where the radius of the fiber Rf and the radius of the
                                                                                                                                       core Rc satisfied the relation Rf = 6Rc and C(r) was nonnegative and defined by
                                                                                                                                                              
                                                                                                                                                                  ((1 − 2δ(r/Rc )α )/(1 − 2δ))1/2 − 1), 0 ≤ r ≤ Rc ,
                                                                                                                                       (3.4)        C(r) =
                                                                                                                                                                  0,                                    r > Rc .
                                                                                                                                                                                    Table 3.4
                                                                                                                                            Inner iteration count for the nonlinear Rayleigh quotient method and the Newton approach on
                                                                                                                                       (3.4).
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                                                                                                                                                                                    Table 3.5
                                                                                                                                            Inner iteration count for the nonlinear Rayleigh quotient method and the Newton approach on
                                                                                                                                       the augmented model with λ = .85, α = 25, and δ = .003.
                                                                                                                                       from this problem involved a tridiagional matrix whose diagonal               elements, ai,i , were
                                                                                                                                       given by
                                                                                                                                                 ⎧
                                                                                                                                                 ⎨ −2 + ω 2 (η 2 − e(ω)2 ) − (1/i)2 ,                                1 ≤ i ≤ 100,
                                                                                                                                          ai,i =   −2 − (1/i)2 ,                                                    100 < i < 600,
                                                                                                                                                 ⎩
                                                                                                                                                   −2 − (1/i)2 + (1 + .5/600) × 601.5/ (600) × (601),                i = 600,
                                                                                                                                           For the values of λ, α, and δ given in Table 3.4, there was only one positive
                                                                                                                                       eigenvalue. With the smaller eigenvalues both algorithms had trouble. For λ = .85,
                                                                                                                                       we used the approximation e = 1.45291 and h = 1.44943 in (3.3). For λ = 1.1, we
                                                                                                                                       used e = 1.4969 and h = 1.4201.
                                                                                                                                           We then augmented the model in (3.4) with a layer of fluorine doped silicon
                                                                                                                                       dioxide of constant concentration ρ and then a layer of germanium doped silicon
                                                                                                                                       dioxide of constant concentration σ. Each layer had the same width as the core
                                                                                                                                       region. We kept the same width of the fiber, used the same uniform finite element
                                                                                                                                       discretization, and set the wavelength λ at .85, α = 25, and δ = .003. As we varied
                                                                                                                                       the concentrations, the number of positive eigenvalues changed. For the fluorine layer
                                                                                                                                       the dopant concentration was negative and h in (3.3) was 1.456475. In Table 3.5
                                                                                                                                       the number of Rayleigh quotient iterations is given for several values of σ and ρ. In
                                                                                                                                       general the nonlinear Rayleigh quotient seemed to be slightly faster than the Newton
                                                                                                                                       technique but the differences were rather inconsequential.
                                                                                                                                           Usually when an eigenvalue was not close to zero, the nonlinear Rayleigh quotient
                                                                                                                                       algorithm required the same effort as the initial iteration of the Newton approach.
                                                                                                                                       In the production code a polyalgorithm was formed that initially used the Rayleigh
                                                                                                                                                                  EIGENVALUES IN FIBER OPTIC DESIGN                             115
                                                                                                                                       quotient algorithm, and if that did not work after a specified number of iterations, its
                                                                                                                                       best approximation was used to determine an initial γ in the Newton procedure.
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(4.1) μ = xT A x/σ,
(4.4) μ = xT A x/σ.
                                                                                                                                       Because sμ is always negative, σ = 1 − sμ φ2 is never zero. From (4.3) and (4.1) one
                                                                                                                                       gets (4.2). Unfortunately (μI − B) is singular, but if μ is not a multiple eigenvalue of
                                                                                                                                       B, the vector x can be determined uniquely by using the condition xT x = 0.
                                                                                                                                           Following the approach given in the proof of Lemma 4.1 it is shown in [8] that
                                                                                                                                                                        
                                                                                                                                       the dispersion is given by − 2πc
                                                                                                                                                                    λ2 μ , where
                                                                                                                                           Calculating the dispersion slope requires μ . If ρ = φφ((s (μ)μ ) + s (μ)μ μ )
                                                                                                                                                                                                                              2
                                                                                                                                            Since our aim is to determine the parameters in η that give a prescribed dispersion,
                                                                                                                                       the derivatives of the dispersion with respect to these parameters are needed by most
                                                                                                                                       optimizers. Let us use the convention that μk is the derivative of μ with respect to
                                                                                                                                       the kth design parameter, Ak is the derivative of the A matrix with respect to the kth
                                                                                                                                       design parameter, xk is the derivative of x with respect to its kth design parameter,
                                                                                                                                       etc. Mimicking the proof of Lemma 4.1 suggests that if xT x = 1, then
(4.7) μk = xT Ak x/σ.
                                                                                                                                                It is shown in [8] that if θ contains all the terms in s(μ)k φ2 except the one with
                                                                                                                                       μk ,   then μk can be expressed several ways, including
                                                                                                                                       where xk satisfies (μI − B)xk = −(μI − B)k x − (μI − B) xk − (μI − B)k x and the
                                                                                                                                       condition xT xk = −xT xk , and by the equation
                                                                                                                                       where (μI − B)x = −(μI − B) x − 2(μI − B) x and xT x = −x x .
                                                                                                                                                                                                                          T
                                                                                                                                            The first formula for μk in (4.8) comes from differentiating (4.5) with respect to
                                                                                                                                       the design parameter, but it can be the less efficient approach. The second formula
                                                                                                                                       in (4.9) reverses the order of differentiation and comes from twice differentiating with
                                                                                                                                       respect to ω the formula for μk in (4.7). The formula in (4.8) requires x, x , and for
                                                                                                                                       the kth design parameter xk and xk . For 20 design parameters one must solve for 42
                                                                                                                                       vectors. The second formula for μk requires x, x , x . Thus for 20 design parameters
                                                                                                                                       the formula in (4.9) requires 3 vectors. Theoretically, (4.8) requires at least twice as
                                                                                                                                       much work as (4.9).
                                                                                                                                           Acknowledgments. I thank Bill Reed, formerly of Bell Labs, for bringing the
                                                                                                                                       fiber optics problem to my attention and I thank Lawrence Cowsar of Bell Labs for
                                                                                                                                       providing the program for determining a good discretization of the pde and the optical
                                                                                                                                       properties of the fiber.
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                                                                                                                                                                             EIGENVALUES IN FIBER OPTIC DESIGN                                117
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