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Ch 1. Applied Linear Algebra Yoon Mo Jung Computational Science and Engineering Yonsei University

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  • Ch 1. Applied Linear Algebra

    Yoon Mo Jung

    Computational Science and Engineering

    Yonsei University

  • Ch 1. Applied Linear Algebra 2

    §0 Prelude: Structure of Computational Science andEngineering

    • Overview of Computational Science and Engineering

    laws

    rules

    constraints

    −−−−→modeling

    Mathematical

    problem:

    equations

    −−−−−−−−−−−−→Numerical procedures

    Linear

    equations

    Ax = bin engineering and physics

    Remark 1. Designing and validating numerical procedures is called “Nu-

    merical Analysis”.

    2. How to solve Ax = b is called Numerical Linear Algebra, which is the

    heart of the Scientific Computing. Strang said “Its importance is

    now recognized.”

    • Four Simplifications

    1. Nonlinear becomes linear.

    ex) Bending of beam

    u′′

    (1 + (u′)2)3/2≈ u′′ if u′ is small.

    2. Continuous becomes discrete.

    ex) f ′(x) = limh→0

    f(x + h)− f(x)h

    ≈f(xn+1)− f(xn)

    ∆x,

    if ∆x is small.

    3. Multidimensional becomes one-dimensional.

    ex) ut = uxx (heat equation)

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 3

    Let u(t, x) = T (t)X(x): separation of variables

    4. Variable coefficients becomes constant coefficients.

    ex) inhomogeneous heat equation: ut = (c(x)ux)x

    with conductivity c(x).

    If c(x) ≈ c, one may use Fourier transform or FFT.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 4

    §1 Applied Linear Algebra

    §1.1 Four Special Matrices

    • Two important problems1. Solving linear systems: Ax = b

    x: cause or input, b: result or output.

    ex) x: displacements, pressures, voltages, concentrations, ......

    2. Eigenvalue problem: Ax = λx

    eigen means prime.

    • Four special matrices: Kn, Cn, Tn, Bn

    K2 =

    [2 −1−1 2

    ],K3 =

    2 −1 0−1 2 −10 −1 2

    ,K4 =

    2 −1 0 0−1 2 −1 00 −1 2 −10 0 −1 2

    Remark (Good) Properties

    1. Symmetric (Kij = Kji or K = KT ).

    2. Sparse (lots of zeros if n≫ 1).

    3. Tridiagonal, banded.

    4. Constant diagonals: called Toeplitz matrix.

    - Something is not changing when we move in space or time. Shift-

    invariant or time-invariant.

    5. Invertible (∃K−1 s.t. KK−1 = K−1K = I).-K−1 also symmetric but full.

    - Important: We don’t want or need K−1 to find u = K−1f . All we

    compute is the solution x.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 5

    6. Positive definite (xTAx > 0 if x ̸= 0).

    Circulant matrix C4 =

    2 −1 0 −1−1 2 −1 00 −1 2 −1−1 0 −1 2

    Remark 1. Singular, not invertible (C4[1, 1, 1, 1]T = 0).

    2. Positive semidefinite (xTAx ≥ 0).

    T2 =

    [1 −1−1 2

    ], T3 =

    1 −1 0−1 2 −10 −1 2

    Gaussian elimination:

    T =

    1 −1 0−1 2 −10 −1 2

    −−−→Step 1 1 −1 00 1 −10 −1 2

    −−−→Step 2 1 −1 00 1 −10 0 1

    = U

    U−1 =

    1 −1 00 1 −10 0 1

    −1

    =

    1 1 10 1 10 0 1

    : The inverse of “difference matrix” is a “sum matrix”. 1 −1 00 1 −1

    0 0 1

    u1u2u3

    = u1 − u2u2 − u3

    u3 − 0

    1 1 10 1 10 0 1

    u1 − u2u2 − u3

    u3 − 0

    = u1u2u3

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 6

    Remark: The inverse of triangular matrix is also triangular.

    B2 =

    [1 −1−1 1

    ], B3 =

    1 −1 0−1 2 −10 −1 1

    It is positive semidefinite.

    B =

    1 −1 0−1 2 −10 −1 1

    −−−→Step 1 1 −1 00 1 −10 −1 1

    −−−→Step 2 1 −1 00 1 −10 0 0

    = U 1 −1 00 1 −10 0 0

    111

    = 000

    and 1 −1 0−1 2 −1

    0 −1 1

    111

    = 000

    • Summary

    1. Kn and Tn are invertible and positive definite.

    2. Cn and Bn are singular and positive semidefinite.

    The nullspace(kernel) is the constant vector u = [c, c, · · · , c].

    Remark: Bu = f is solvable when f is perpendicular to e = [1, 1, · · · , 1].

    f = Bu =

    1 −1 0−1 2 −10 −1 1

    u1u2u3u4

    =

    u1 − u2−u12u2 − u3−u2 + 2u3 − u4−u3 + u4

    f1 + f2 + f3 + f4 = f

    Te = f · e = ⟨f, e⟩ = 0.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 7

    Figure 1: Finite Differences

    §1.2 Differences, Derivatives, Boundary Conditions

    Observation: -1, 2, -1 produces a second difference.

    Kn, Cn, Tn, Bn are all involved in approximating the equation

    −d2u

    dx2= f(x)

    with boundary conditions at x = 0 and x = 1.

    Part I: Finite Differences

    -want to approximate dudx.

    dudx≈ △u△x if △ x is small.

    ex) Choose test function u(x) = x2.

    Forward difference △+f(x) = u(x+h)−u(x)hex) (x+h)

    2−x2h

    = 2x + h

    Backward difference △−f(x) = u(x)−u(x−h)hex) x

    2−(x−h)2h

    = 2x− hCentered difference △0f(x) = u(x+h)−u(x−h)2hex) (x+h)

    2−(x−h)2h

    = 2x

    Taylor series: series in h

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 8

    u(x + h) = u(x) + hu′(x) + h2/2u′′(x) + h3/3!u′′′(x) + · · ·u(x− h) = u(x)− hu′(x) + h2/2u′′(x)− h3/3!u′′′(x) + · · ·

    u(x + h)− u(x)h

    = u′(x) + h/2u′′(x) + · · ·

    : It is first order accurate.

    u(x + h)− u(x− h)2h

    = u′(x) + h2/3!u′′′(x) + · · ·

    : Centered is second order.

    Centered difference matrix:

    △0 =

    . . .

    −1 0 1−1 0 1

    . . .

    ui−1uiui+1ui+2

    =

    ...

    ui+1 − ui−1ui+2 − ui

    ...

    Rmk: △T0 = −△0: antisymmetric (skew symmetric).The centered difference is the average of forward and backward.

    • Second Differences from First Differences

    △2ui =△−△+ui = 1/h[(

    ui+1 − uih

    )−

    (ui − ui−1

    h

    )]=ui+1 − 2ui + ui−1

    h2

    △2u(x) = u(x+h)−2u(x)+u(x−h)h2

    = u′′(x) + 2h2/4!u(4)(x) + · · ·: second order accuracy

    • The Important Multiplications1. For constant and linear vectors, the second difference are zero:

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 9

    △2(constant)

    . . .

    1 −2 11 −2 1

    . . .

    1

    1

    1

    1

    =

    ...

    0

    0...

    △2(linear)

    . . .

    1 −2 11 −2 1

    . . .

    1

    2

    3

    4

    =

    ...

    0

    0...

    For squares, the second difference is constant:

    △2(squares)

    . . .

    1 −2 11 −2 1

    . . .

    1

    4

    9

    16

    =

    ...

    2

    2...

    2. Second difference of the ramp vector produce the delta vector:

    △2(ramp)

    . . .

    1 −2 11 −2 1

    . . .

    0

    0

    1

    2

    =0

    1

    0

    0

    = delta

    3. Second difference of the sine and cosine and exponential produce 2 cos t−2 times those vectors.

    △2(sines)

    . . .

    1 −2 11 −2 1

    . . .

    sin t

    sin 2t

    sin 3t

    sin 4t

    = (2cost− 2)

    sin t

    sin 2t

    sin 3t

    sin 4t

    △2(cosines)

    . . .

    1 −2 11 −2 1

    . . .

    cos t

    cos 2t

    cos 3t

    cos 4t

    = (2 cos t−2)

    cos t

    cos 2t

    cos 3t

    cos 4t

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 10

    △2(exponentials)

    . . .

    1 −2 11 −2 1

    . . .

    eit

    e2it

    e3it

    e4it

    = (2 cos t−2)

    eit

    e2it

    e3it

    e4it

    Remark: sines or cosines or exponentials are eigenvectors of

    K,T,B,C with the right boundary conditions.

    Part II: Finite Difference Equations

    −d2udx2

    = f with boundary conditions u(0) = 0 and u(1) = 0.

    Divide the interval [0, 1] into equal pieces of length h = △x.

    unknown u =

    u(h)

    u(2h)...

    u(nh)

    =

    u1u2...

    un

    where h = 1n+1.

    Finite difference equation: −ui+1 − 2ui + ui−1

    h2= fi

    The first and last (i = 1, i = n) involves u0, un+1.

    Ex) Solve −d2udx2

    = 1 with u(0) = 0 and u(1) = 0,

    −ui+1−2ui+ui−1h2

    = 1, u0 = 0 and un+1 = 0.

    Sol) Complete solution: ucomplete = uparticular + unullspace

    Particular solution: −d2udx2

    = 1 is solved by uparticular = −12x2.

    Nullspace solution: −d2udx2

    = 0 is solved by unullspace = Cx + D.

    u(x) = −12x2 + Cx + D.

    u(0) = 0: D = 0.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 11

    u(1) = 0: −12+ C = 0⇒ C = 1

    2.

    u(x) = +12x− 1

    2x2.

    This is special: the differential and difference equation have the same so-

    lutions!

    u(x) = −12x2 + 1

    2x and ui =

    12(ih− i2h2).

    With h = 1/4,

    Ku = f leads 16

    2 −1 0−1 2 −10 −1 2

    u1u2u3

    = 111

    ⇒ 3/324/323/32

    • A Different Boundary Condition

    Ex) Solve −d2udx2

    = 1 with dudx(0) = 0 (free end) and u(1) = 0.

    −ui+1−2ui+ui−1h2

    = 1, u1−u0h

    = 0 and un+1 = 0.

    Sol) u(x) = 12(1− x2).

    We expect a O(h) error because of the forward difference u1−u0h

    .

    For n = 3, h = 1/4,

    1/h2

    1 −1 0−1 2 −10 −1 2

    u1u2u3

    = 111

    gives h2 653

    To have O(h2) accuracy, see the worked examples 1.2.A in the book.

    99% of the difficulties with DE’s occurs at the boundary.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 12

    §1.3 elimination leads to K = LDLT

    Two theme of the book:

    1. How to understand equations.

    2. how to solve them. - This section’s topic.

    Ku = f :

    u = K−1f theorectically, not computationally:

    u = inv(K) ∗ f in MATLAB.

    Solved by Gaussian elimination - LU decomposition.

    If symmetric, K = LDLT (related to Cholesky factorization).

    u = K\f in MATLAB. For multiple f ’s, [L, U] = lu(K).

    Ex) Ku = f

    2 −1 0−1 2 −10 −1 2

    u1u2u3

    = f1f2f3

    2 −1 00 3/2 −10 −1 2

    u1u2u3

    = f1f2 + 1/2f1f3

    by 2nd row +1/2× 1st row,

    2 −1 00 3/2 −10 0 4/3

    u1u2u3

    = f1f2 + 1/2f1f3 + 2/3f2 + 1/3f1

    by 3rd row + 1

    3/22st row.

    2u1 − u2 =f1,3/2u2 −u3 =f2 + 1/2f1,

    4/3u3 =f3 + 2/3f2 + 1/3f1.Solution by backsubstitution.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 13

    Matrix-vector multiplication Ku as a combination of the columns of K: 2 −1 0−1 2 −10 −1 2

    u1u2u3

    = u1 2−1

    0

    + u2 −12−1

    + u3 0−1

    2

    Solving a system Ku = f is exactly the same as finding a combination of

    the column of K that produces the vector f .

    Multiplier lij =entry to eliminate

    pivot(in row i)(in row j)

    The convention: Subtract lij times the pivot row j from row i. Then the

    i, j entry is 0.

    • Elimination Produces K = LU

    K = LU

    2 −1 0−1 2 −10 −1 2

    = 1 0 0−1/2 1 0

    0 −3/2 1

    2 −1 00 3/2 −10 0 4/3

    L reverses the elimination steps.

    Suppose the forward elimination uses the multipliers in L to change the rows

    of K in to the rows of U (Upper triangular). Then K is factored into L

    times U .

    Ku = f : LUu = f ⇒ u = U−1L−1fLc = f ⇒ c = L−1f (forward substitution)Uu = c⇒ u = U−1c (back substitution)

    • Singular Systems

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 14

    Ex) Circulant C =

    2 −1 −1−1 2 −1−1 −1 2

    2 −1 −10 3/2 −3/20 −3/2 3/2

    2 −1 −10 3/2 −3/20 0 0

    = U : The rows are linearly dependentAn invertible matrix has a full set of pivots.

    No row exchange to get n pivots: A is invertible and A = LU .

    Row exchange by P to get n pivots: A is invertible and PA = LU .

    No way to find n pivots: A is singular, there is no inverse matrix A−1.

    Pivoting matrix P : i row! j rowComposition of In−2×n−2 except i, j rows and columns and

    [1

    1

    ]for

    i, j rows and columns.

    Ex) 2 row! 3 row:

    1

    1

    1

    1

    • Symmetry Converts K = LU to K = LDLT

    K︸︷︷︸symmetric

    = L︸︷︷︸lower triangular

    U︸︷︷︸upper triangular

    : not symmetric

    K =

    2 −1 0−1 2 −10 −1 2

    = LU = 1 0 0−1/2 1 0

    0 −3/2 1

    2 −1 00 3/2 −10 0 4/3

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 15

    =

    1 0 0−1/2 1 00 −3/2 1

    2 0 00 3/2 00 0 4/3

    1 −1/2 00 1 −3/20 0 1

    = LDLT : symmetric factorization

    Remark 1. ATCA is symmetric if C is symmetric.

    2. DA: rowwise multiplication by the diagonal entry in D.

    3. AD: columnwise multiplication by the diagonal entry in D.

    4. For any rectangular matrix A, the product ATA is square and symmet-

    ric.

    5. LDLT = L√D√DLT = (L

    √D)(L

    √D)T := L̃L̃T is called

    Cholesky factorization.

    • The Determinant Kn

    detK =by definition of determinant ∼ n! : computationally useless!=detLU = detL︸ ︷︷ ︸

    =1

    detU

    =product of diagonal entries of U

    =2 · 3/2 · 4/3 · · · (n + 1)/n = n + 1

    The LU decomposition is also a quick way to compute determinant.

    Remark 1. If a matrix is tridiagonal, then L and U are bidiagonal.

    2. If a row/column of K starts with p/q zeros (no elimination needed

    there), then that low of L/ column of U also starts with p/q zeros.

    3. Zeros inside the band can unfortunately be “filled in” by elimination -

    It leads to fundamental problem of reordering the rows and columns to

    make the p’s and q’s are as large as possible.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 16

    Figure 2: Left: The sparsity pattern of K for 2 dim. Right: The sparsity pattern of the Choleskyfactor of K.

    • Positive Pivots and Positive Determinant

    If is positive definite (xTAx > 0 if x ̸= 0) if all pivots are positive.[a b

    b c

    ]=

    [1

    b/a 1

    ] [a

    (ac− b2)/a

    ] [1 b/a

    1

    ][a b

    b c

    ]is positive definite iff a > 0 and ac− b2 > 0.

    • Operation Counts

    LU decomposition ∼ 2/3n3 in general, 1/3n3 if symmetric.

    Operation Count Full Banded Tridiagonal

    Factor: Find L and U ≈ 2/3n3 2w2n + wn 3nSolve: Forward and back on f 2n2 4wn + n 5n

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 17

    §1.4 Inverse and Delta Functions

    : Want to solve for f = point load.

    Ku = δj =

    0...

    1...

    0

    (j th entry) = j th column of I.−u′′ = δ(x− a): Green’s function u.

    Delta function δ(x):

    δ(x) = 0 if x ̸= 0,∫∞−∞ δ(x)dx = 1 .

    : not “true function”. “spike”, “point load”, “impulsive”concentrated at

    x = 0, “infinitely tall and infinitely thin”

    A sequence of functions generating or approximating Dirac delta:

    fk(x) =

    1

    2k, if − k ≤ x ≤ k,

    0, otherwise.∫∞−∞ fk(x) dx = 1 and ‘fk −−→k→0 δ ’.

    Note that

    K[u1|u2| · · · |un] = [δ1|δ2| · · · |δn]⇐⇒ KK−1 = I.

    uj = column j of K−1. We are solving KK−1 = I column by column.

    If we know the Green’s function for all point load δ(x − a), we can solve−u′′ = f for any load f(x).So, it is the “discrete Green’s function”.

    K−1ij = the solution at point i from a load at point j .

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 18

    0 0.2 0.4 0.6 0.8 1

    0

    0.2

    0.4

    0.6

    0.8

    1

    Figure 3: Green’s function for fixed-fixed case

    • Concentrated load

    Ex) −d2udx2

    = δ(x− a) with{fixed u(0) = 0 and fixed u(1) = 0

    free u′(0) = 0 and fixed u(1) = 0.

    Sol)∫ rightleft −

    d2udx2

    dx =∫ rightleft δ(x− a) dx

    =⇒ −(dudx

    )right

    +(dudx

    )left

    = 1: The slope drops by 1.

    Since u′′ = 0 except x = a,

    u =

    {Ax + B if x < a,

    Cx + D if x > a.

    Boundary Conditions Jump/No Jump Conditions at x = a

    fixed u(0) = 0 : B = 0 No jump in u : Aa + B = Ca + D

    fixed u(1) = 0: C + D = 0 Drop by 1 in u′ : A = C + 1

    =⇒ u(x)︸ ︷︷ ︸u(x;a)

    =

    {(1− a)x if x < a,a(1− x) if x > a.

    Remark u(x; a) is symmetric w.r.t. x and a. Note that its discrete version

    K−1 is also symmetric (since K is symmetric).

    • Delta Function and Green’ function

    Delta ft δ(x)

    δ(x)=dSdx←−−−−−−−−−−→∫ x−∞ δ(y)dy

    Step ft S(x)

    S(x)=dRdx←−−−−−−−−−−−→∫ x−∞ S(y)dy

    Ramp ft R(x)

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 19

    where S(x) =

    {1 if x ≥ 00 if x < 0

    and R(x) =

    {x if x ≥ 00 if x < 0

    .

    The first derivative of the ramp function R(x) jumps by 1 at 0 and the

    second derivative is a delta function.

    Complete solution −d2u

    dx2= δ(x− a) is solved by

    u(x) = −R(x− a)︸ ︷︷ ︸particular solution

    + Cx + D︸ ︷︷ ︸null space u′′=0

    0 = u(0) = −R(0− a) + C · 0 + D =⇒ D = 0.0 = u(1) = −R(1− a) + C +D = a− 1 + C =⇒ C = 1− a.

    u(x)︸ ︷︷ ︸u(x,a)

    = −R(x− a) + (1− a)x ={(1− a)x if x ≤ a,(1− x)a if x ≥ a.

    The response at x to a load at a equals the response at a to a load at x:

    symmetric.

    cf) (K−1)ij = (K−1)ji

    Free-Fixed: u′(0) = 0, u(1) = 1

    u(x)︸ ︷︷ ︸u(x,a)

    = −R(x− a) + (1− a)x ={1− a if x ≤ a,1− x if x ≥ a.

    • Discrete Vectors: Load and Step and Lamp

    The delta vector δ: δ = (· · · , 0, 0, 1, 0, 0, · · · )The step vector S: S = (· · · , 0, 0, 1, 1, 1, · · · )The Lamp vector R: R = (· · · , 0, 0, 0, 1, 2, · · · )Note that △−S = δ but △+R = S△2 = △−△+ so,

    △2R = △−△+R = △−S = δ

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 20

    △2(ramp)

    . . .

    1 −2 11 −2 1

    . . .

    0

    0

    1

    2

    =0

    1

    0

    0

    = deltaThe solution to △2u = 0 are “linear vectors” with ui = Ci + D.The complete solution to △2u = δ isui = Ri︸︷︷︸

    uparticular

    +Ci + D︸ ︷︷ ︸unullspace

    cf) u(x) = Rx + Cx + D

    Sampling the ramp u(x) at equally space points without any error.

    • The Discrete Equations Ku = δj and Tu = δj

    −△2u = δj: ui = −Ri−j + Ci + Du0 = −R0−j + C · 0 + D = 0 =⇒ D = 0un+1 = −Rn+1−j + C(n + 1) + 0 = 0

    =⇒ C = n+1−jn+1

    = 1−j

    n + 1︸ ︷︷ ︸1−a

    Fixed ends: ui = −Ri−j + Ci =

    (n + 1− jn + 1

    )i if i ≤ j,(

    n + 1− in + 1

    )j if i ≥ j.

    Note: K−1n is symmetric. cf) u(x) =

    {1− a if x ≤ a,1− x if x ≥ a.

    Free-Fixed: ui = −Ri−j + (n+1− j) ={n + 1− j if i ≤ j,n + 1− i if i ≥ j.

    cf) u(x) =

    {1− a if x ≤ a,1− x if x ≥ a.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 21

    Green’s Function and Inverse Matrix

    f =

    f1f2f3

    = f1 100

    + f2 010

    + f3 001

    :A combination of n point loads

    K−1f = f1 (column 1 of K−1)︸ ︷︷ ︸

    K−1δ1

    + f2 (column 2 of K−1)︸ ︷︷ ︸

    K−1δ2

    + f3 (column 3 of K−1)︸ ︷︷ ︸

    K−1δ3

    The load f(x) is an integral of point load f(a)δ(x− a).

    −u′′ = f(x) =∫ 10

    f(a)δ(x− a)da =⇒ u(x) =∫ 10

    f(a)u(x, a)da

    The Green’s function u(x, a) corresponds to “row x and column a of

    continuous K−1.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 22

    §1.5 Eigenvalues Eigenvectors

    Part I: Ax = λx and Akx = λkx and Diagonalizing A

    • Matrix as a Linear TransformationA matrix A is considered as a linear transformation .

    A :Rn →Rm

    x 7→Ax

    Definition of linear : A(rx + sy) = rAx + sAy

    ’Superposition Principle’

    Example 1 A =

    [1 0

    0 1

    ]: identity, A =

    [2 0

    0 1

    ]: dilation, A =[

    cos θ − sin θsin θ cos θ

    ]: rotation, A =

    [1 0

    0 −1

    ]: reflection.

    • We may regard linear transformation as a composition of those dilations,rotations, and reflections, etc.

    • Eigenvalues and Eigenvectors

    Definition 2 λ: eigenvalue and x: eigenvector if

    Ax = λx, x ̸= 0 .

    Geometrically, along the eigen-direction, there is only scaling

    or dilation.

    More specifically, the special vector x lies along the same line as Ax. The

    eigenvalue λ tells whether the vector x is stretched or shrunk or reversed or

    left unchanged.

    eigen: prime in German

    Why are we interested in eigenvalues and eigenvectors?

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 23

    Figure 4: Geometric interpretation of eigenvalue and eigenvector

    - It reveals the ‘innate or invariant structure’ of A.

    Especially, eigenvalues are invariant under change of basis.

    We can understand the matrix A easily by observing the eigenstructure of

    A, called spectrum.

    The ‘easiest’ matrix:

    I =

    1 . . .1

    : leave every entry unchanged.The ‘second easiest’ matrix:

    D =

    d1 . . .dn

    D

    x1...xn

    = d1x1...dnxn

    : cooridinatewise multiplication.Dx = b can be easily solved by division.

    D is positive definite⇔ di > 0 for all i.xTDx =

    ∑ni=1 dix

    2i = d1x

    21 + · · ·+ dnx2n.

    A ∼ D : A is ‘similar’ to D?Can we treat or understand A as a diagonal matrix?

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 24

    Definition 3 A is similar to B if there exists a nonsingular X such that

    X−1AX = B.

    Remark 1. If A is similar to a diagonal matrix D, then X−1AX = D,

    called diagonalization.

    2. Since AX = XD, X is the eigenvectors of A with eigenvalues D.

    3. X is nonsingular means the columns of X consists of a basis.

    4. Diagonalization is equivalent to finding n eigenvalues and eigenvectors.

    • Diagonalizing a matrixA is a n by n matrix with n independent eigenvectors x1, · · ·xn witheigenvalues λ1, · · ·λn, respectively.

    AX =A[x1| · · · |xn] = [Ax1| · · · |Axn] = [λ1x1| · · · |λnxn]

    =[x1| · · · |xn]

    λ1 . . .λn

    = XΛNow X−1AX = Λ. then A = XΛX−1: Consider Ay = XΛX−1y.

    X−1: express v w.r.t the eigenbasis X.

    Λ: dilation along each eigendirection.

    X: send back to the original basis.

    Thus, the role of X is change of basis.

    When square matrices are diagonalizable?

    1. In general, it is not guaranteed because there may not be n independent

    eigenvectors.

    Other decompositions: Jordan canonical form, Schur’s canonical form,

    Singular Value decomposition (SVD).

    2. If A is symmetric (for real-valued) or Hermite (for complex-valued), OK.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 25

    3. The weakest condition is possibly AAT = ATA, called normal matrix.

    • Symmetric Matrices and Orthonormal EigenvectorsIf A is symmetric, there exist n independent eigenvectors x1, · · · , xn withn real-valued eigenvalues λ1, · · · , λn. Furthermore, they are orthogonal:

    AU = UΛ and UTU = I

    A = UΛUT or UTAU = Λ

    Definition 4 The vectors ui, · · ·un are orthonormal if

    ⟨ui, uj⟩ = uTi uj = δij ={1 if i = j (normality),

    0 if i ̸= j (orthogonality).

    Definition 5 The square matrix U is orthogonal if UTU = I. i.e.

    UTU =

    uT1uT2...

    uTn

    u1 u2 · · · un

    = 1 . . .

    1

    = I• Finding eigenvalues and eigenvectorsFinding x and λ satisfying Ax = λx is n equations with n+1 unknown.

    We first try to find λ and next find x:

    λ : Ax = λx, x ̸= 0⇔(A− λI)x = 0, x ̸= 0⇔A− λI is singluar⇔ det(A− λI) = 0: charateristic equation

    det(A− λI) =cnλn + cn−1λn−1 · · ·+ c0=cn(λ− λ1)(λ− λ2) · · · (λ− λn)

    by the Fundamental Theorem of Algebra.

    Remark :

    1. det(A− λI) ∼ O(n!), not useful computationally.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 26

    2. Furthermore, it is sensitive perturbation and rounding error. Also finding

    roots is not easy.

    3. Numerically power method or some other numerical algorithms are used.

    Ex) eig(A) in MATLAB

    4. One great success of numerical linear algebra is the development of fast

    and stable algorithm to compute eigenvalues, especially for the symmet-

    ric case.

    Example 6 Consider the symmetric case K =

    [2 −1−1 2

    ].

    Sol)

    det(K − λI) =∣∣∣∣ 2− λ −1−1 2− λ

    ∣∣∣∣ = (2− λ)2 − 1=λ2 − 4λ + 3 = (λ− 3)(λ− 1)

    For λ = 1 : K − I =[

    1 −1−1 1

    ](K − I)x = (K − I)[u; v] = 0⇒ u− v = 0

    x1 =

    [1

    1

    ]or 1√

    2

    [1

    1

    ].

    For λ = 3 : K − 3I =[−1 −1−1 −1

    ](K − 3I)x = (K − 3I)[u; v] = 0⇒ u + v = 0

    x2 =

    [1

    −1

    ]or 1√

    2

    [1

    −1

    ].

    Now

    K =

    [2 −1−1 2

    ]=

    1√2

    [1 1

    1 −1

    ] [1 0

    0 3

    ]1√2

    [1 1

    1 −1

    ]T

    Note that K is a discrete approximation of

    −d2udx2

    with u(0) = 0 and u(1) = 0.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 27

    −d2u

    dx2= λu⇔ K̃u = λu with K̃u = −

    d2u

    dx2

    and

    K̃ is linear . −d2u

    dx2= λu,

    u(0) = 0 and u(1) = 0.

    Eigenfunctions: sin kπx, k = 1, 2, · · · .With h = 1/3, x0 = 0, x1 = 1/3, x2 = 2/3, x3 = 1,

    sinπx ∼ [sinπx1; sinπx2] = [sin 1/3π; sin 2/3π] = 1√2[1; 1]and

    sin 2πx ∼ [sin 2πx1; sin 2πx2] = [sin 2/3π; sin 4/3π] = 1√2[1;−1].

    K = UΛUT , U =1√2

    [1 1

    1 −1

    ], Λ =

    [1 0

    0 3

    ].

    K2 = (UΛUT )(UΛUT ) = UΛ2UT .

    Kn = UΛnUT = U

    [1 0

    0 3n

    ]UT : Kn grows like 3n.

    The product of n eigenvalues equals the determinant of A.

    detA =n∏

    i=1

    λi

    Proof) ‘determinant of products is product of determinants’.detA = det(UΛU−1) = detU detΛ detU−1

    = det(UU−1) det Λ = detΛ.

    Remark It is the constant term w.r.t. λ in det(A− λI).The sum of the n eigenvalues equal the sum of the n diagonal entries.

    tr A =n∑

    i=1

    λi

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 28

    Remark It is the coefficient of (−λ)n−1 in det(A− λI).

    If A = XΛX−1 with no nonzero λi, then A is invertible and

    A−1 = XΛ−1X−1 = X

    1/λ1 . . .1/λn

    X−1 ,which is an eigenvalue decomposition of A−1.

    • The Power of a Matrix-Eigenvalues have their greatest importance in dynamic problems.

    Example 7 Population problem: u(t + 1) = Au(t) each year where[u1(t + 1)

    u2(t + 1)

    ]=

    [0.8 0.3

    0.2 0.7

    ] [u1(t)

    u2(t)

    ].

    The column sums are always 1, which means nobody is created or destroyed.

    Furthermore, populations stay positive because has no negative entries.

    This type of matrices are called Markov matrix which expresses probability

    transition matrix.

    Let u(0) =

    [1000

    0

    ]. The matrixA has eigenvectors

    [600

    400

    ],

    [400

    −400

    ]with eigenvalues 1, 1/2 respectively.

    If Ax = λx, A2x = λ2x, · · · , Akx = λkx.Similarly, Ak(α1x1 + · · ·+ αnxn) = α1λk1x1 + · · ·+ αnλknxn.

    u(t) = At[600

    400

    ]=At

    ([600

    400

    ]+

    [400

    −400

    ])=1t

    [600

    400

    ]︸ ︷︷ ︸steady state

    +

    (1

    2

    )t [400

    −400

    ]︸ ︷︷ ︸

    transient

    −−−−→t→∞

    [600

    400

    ].

    • Three steps to find uk = Aku0 from eigenvalues and eigen-vectors

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 29

    Step 1 : Write u0 as a combination of the eigenvectors:

    u0 = α1x1 + · · ·+ αnxnStep 2 : Multiply each number αj by (λj)

    k.

    Step 3 : Recombine the eigenvectors into

    uk = α1λk1x1 + · · ·+ αnλknxn

    In matrix,

    Step 1 : u0 = [x1| · · · |xn]

    α1...αn

    = Xa, α = X−1u0.

    Step 2 : Multiply

    λk1 . . .λkn

    α1...αn

    = Λkα, ΛkX−1u0.

    Step 3 : Recombine uk = [x1| · · · |xn]

    λk1α1...λknαn

    = XΛkαuk = XΛ

    kX−1u0.

    Remark

    Ay = XΛX−1y

    X−1y expresses y w.r.t. the basis X = [x1| · · · |xn].Λ multiplies eigenvalues.

    X recombines.

    • Application to Vector Differential equationsExample 8

    dy

    dt= ay general solution y(t) = Ceat.

    y(0) = y0 It determines C.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 30

    The solution y(t) = y0eat decays if a < 0: stability.

    The solution y(t) = y0eat grows if a > 0: instability.

    When a is a complex number, its real part determines the growth or decay,

    the imaginary part gives oscillatory factor since

    eiwt = coswt + i sinwt (Euler formula)

    Vectorial case or system of equations

    dy

    du= Au, u(0) = u0

    Example 9

    dy

    dt=2y − z

    dz

    dt=− y + 2z

    , ddt

    [y

    z

    ]=

    [2 −1−1 2

    ]︸ ︷︷ ︸

    K2

    [y

    z

    ]

    Sol) Assume u(t) = eλtx = eλt[y

    z

    ].

    dudt

    = λeλtx = LHS = RHS = Ku = eλtKx

    Kx = λx : eigenvalue problem

    x =

    [1

    1

    ],

    [1

    −1

    ]with λ = 1, 3 respectively.

    General solution:

    u(t) =c1eλ1tx1 + c2e

    λ2tx2

    =c1et

    [1

    1

    ]+ c2e

    3t

    [1

    −1

    ]

    u0 = u(0) = c1

    [1

    1

    ]+ c2

    [1

    1

    ]=

    [1 1

    1 −1

    ]︸ ︷︷ ︸

    X

    [c1c2

    ]Three steps for powers apply here too:

    Expand u0 = Xα: α = X−1u0.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 31

    Multiply each αj by eλjt:

    eλ1t . . .eλnt

    a = eΛtX−1u0.Recombine into u(t) = XeΛtX−1u0.

    Part II: Eigenvectors for Derivatives and Differences

    −d2u

    dx2= λu is solved by y = cosωx, y = sinωx with λ = ω2.

    Analog to Kn: fixed-fixed case y(0) = 0, y(1) = 0.

    y(x) = sin kπx with λ = k2π2, k = 1, 2, · · ·Sol) y = a cosωx + b sinωx

    0 = y(0) = a

    0 = y(1) = b sinω ⇒ ω = kπ: determined by boundary condition!

    Analog to Bn: free-free case y′(0) = 0, y′(1) = 0.

    y(x) = cos kπx with λ = k2π2, k = 0, 1, 2, · · ·

    Analog to Cn: periodic case y(0) = y(1), y′(0) = y′(1).

    y(x) = cos 2kπx, sin 2k̃πx with λ = 4k2π2, k = 0, 1, 2, · · · ,k̃ = 1, 2, · · ·

    Analog to Tn: free-fixed case y′(0) = 0, y(1) = 0.

    y(x) = cos(k + 1/2)πx with λ = k2π2, k = 0, 1, 2, · · ·

    • Eigenvectors of Kn: Discrete Sines

    −[sin(j − 1)θcos(j − 1)θ

    ]+2

    [sin jθ

    cos jθ

    ]−

    [sin(j + 1)θ

    cos(j + 1)θ

    ]=(2− 2 cos θ)

    [sin jθ

    cos jθ

    ]Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 32

    These are the imaginary and real parts of

    −ei(j−1)θ + 2eijθ − ei(j+1)θ = (2− e−iθ − eiθ)eijθ .

    The boundary rows decide θ everything!

    For sin jθ,

    From the first row,

    2 sin θ − sin 2θ = (2− 2 cos θ) sin θ, it is true for any θ.From the last row,

    − sin(n− 1)θ − 2 sinnθ = (2− cos θ) sinnθ,−(sinnθ cos θ−cosnθ sin θ)+2 sinnθ = 2 sinnθ−2 sinnθ cos θsinnθ cos θ + cos θ sinnθ = sinn(θ + 1) = 0

    ⇒ θ = kn+1

    π, k = 1, 2, · · ·For cos jθ,

    From the first row,

    2 cos θ − cos 2θ = (2− 2 cos θ) cos θcos2 θ − 1 = 2 cos2 θ⇒ −1 = 0: There is no such θ.

    The first eigenvector y1 will sample the first eigenfunction y(x) = sinπx

    at n meshpoint with h = 1n+1

    :

    First eigenvector = dicrete sine y1 = (sinπh, sin 2πh, · · · , sinnπh)First eigenvalue of Kn:

    λ1 = 2− 2 cosπh = 2− 2(1− π2h2

    2+ · · · ) ≈ π2h2

    To match differences with derivatives, divide K by h2 = (△x)2.

    eigenvectors = discrete sines yk = (sin kπh, · · · , sinnkπh)eigenvalues of Kn : 2− 2 cos kπh, k = 1, · · ·n.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 33

    Discrete sine transform

    DST =

    sin π4 sin 2π4 sin 3π4sin 2π4 sin 4π4 sin 6π4sin 3π

    4sin 6π

    4sin 9π

    4

    =

    1√2

    1 1√2

    1 0 −11√2−1 1√

    2

    Q = 1√

    2DST is orthogonal, i.e. QTQ = I, Q−1 = QT .

    Remark∫ 10 sinnπx sinmπxdx = 0 if n ̸= m.

    • Eigenvectors of Bn: Discrete Cosines

    eigenvalues of Bn : 2− 2 coskπ

    n, k = 0, · · ·n− 1

    eigenvectors: yk =

    (cos

    1

    2

    n, cos

    3

    2,kπ

    n· · · , cos

    (n−

    1

    2

    )kπ

    n

    )Eigenvalues of B sample cos kπx at the n midpoints x = (j − 1

    2)/n.

    y′(0) = 0 ∼ y(x1)− y( x0︸︷︷︸ghost grid

    ) = 0

    y′(1) = 0 ∼ y( xn+1︸ ︷︷ ︸ghost grid

    )− y(xn) = 0

    Since the cosine is even, those vectors have zero slope at the ends:

    cos−12kπn

    = cos 12kπn

    and cos(n− 1

    2

    )kπn

    = cos(n + 1

    2

    )kπn

    : The reason for choosing midpoints as gridpoints.

    Note that k = 0 gives the all-ones eigenvector y0 = (1, 1, · · · , 1) withλ = 0: DC vector with zero frequency.

    Discrete cosine transform

    DCT =

    cos 0 cos 12π3 cos 12 2π3cos 0 cos 32π3 cos 32 2π3cos 0 cos 5

    2π3

    cos 522π3

    = 1 12

    √3 1

    2

    1 0 −11 −1

    2

    √3 1

    2

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 34

    • Eigenvectors of Cn: Powers of ω = e2πin

    Eigenvectors of Cn: Both sine and cosine

    (Euler formula) eiθ = cos θ + i sin θ

    Circulant matrix (periodic) C4 =

    2 −1 0 −1−1 2 −1 00 −1 2 −1−1 0 −1 2

    It has constant diagonals with wrap-around.

    The k th eigenvector of Cn comes from sampling yk(x) = ei2πkx at the

    n meshpoints x = j./n, j = 0, · · · , n− 1.j th component of yk: e

    i2πk(j/n) = ωjk where ω = ei2π/n = n th root

    of 1.

    eigenvalues of Cn : 2− ωk − ω−k = 2− 2 coskπ

    n, k = 0, · · ·n− 1

    eigenvectors: yk = (1, ωk, ω2k · · · , ω(n−1)k)

    • The Fourier MatrixDiscrete Fourier transform (DFT)

    F4 =

    1 1 1 1

    1 i i2 i3

    1 i2 i4 i6

    1 i3 i6 i9

    , (Fn)jk = ωjk = ei2πjk/n

    The columns are orthogonal in C: ⟨x, y⟩ = x∗y = x̄Ty.F̄4

    TF4 = 4I so that F

    −14 =

    14F̄4

    T.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 35

    In general,

    F̄nTFn = nI and F

    −1n =

    1

    nF̄n

    T=

    1

    nF ∗n

    .

    Un =1√nFn: The normalized Fourier matrix is unitary.

    Columns are ’orthonormal’ in C: ŪnTUn =

    1√nF̄n

    T 1√nFn = I.

    Unitary matrix (Q∗Q = Q̄TQ = I) is the complex analog of orthogonal

    matrix (ATA = I).

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 36

    Figure 5: Quadratic function in 1-d example: x2 − x− 2

    §1.6 Positive Definite Matrix

    What is ‘positive definite’?

    3 basic facts

    1. K = ATA is symmetric and positive definite (or at least semidefinite).

    xTATAx = (Ax)TAx

    2. If K1 and K2 are positive definite, then so is K1 + K2.

    3. All pivots and all eigenvalues of a positive definite matrix is positive.

    Why do we want to consider positive definite matrices?

    - It is closely related to the concept of energy as the quadratic form 12uTKu

    and we are interested in its minimum.

    Example 10 1 dimensional example (See Fig. 5)

    f(x) = 12ax2 − bx + c︸︷︷︸

    =0

    = 12a(x− b

    a)2 − 1

    2b2

    a.

    Optimization: For its minimum,

    The first necessary condition: f ′(x) = ax− b.The second sufficient condition: f ′′(x) = a > 0.

    If K is positive definite,

    the minimum of P (u) =1

    2uTKu− uTf is Pmin = −

    1

    2fK−1f

    when Ku = f.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 37

    Example 11 2 dimensional examples (See Fig. 6)

    A =

    [1 0

    0 2

    ], B =

    [1 0

    0 0

    ], C =

    [1 0

    0 −2

    ], D =

    [−1 00 −2

    ].

    xTAx = [x y]

    [1 0

    0 2

    ] [x

    y

    ]= x2 + 2y2 : positive definite (elliptic).

    Similarly,

    xTBx = x2: semipositive definite (parabolic),

    xTCx = x2 − 2y2: indefinite (hyperbolic),xTDx = −x2 − 2y2 = −(x2 + 2y2): negative definite.

    • Examples and Energy-based Definition

    Quadratic function:

    uTSu = [u1, u2]

    [u1u2

    ]= au21 + 2bu1u2 + cu

    2.

    Example 12 Sum of squares examples (See also Fig. 6)Positive definite Semipositive definite Indefinite

    K =

    [2 −1−1 2

    ]B =

    [1 −1−1 1

    ]M =

    [1 −3−3 1

    ]2u21 − 2u1u2 + 2u22 u21 − 2u1u2 + u22 2u21 − 6u1u2 + 2u22

    Always positive Positive or zero Positive or negative

    2u21 − 2u1u2 + 2u22

    =u21 + (u1 − u2)2 + u22 : A

    TA

    =2(u1 −1

    2u2)

    2 +3

    2u22 : LDL

    T .

    K =

    [1 −1 00 1 −1

    ] 1 0−1 10 1

    = ATA=

    [1 0

    −12

    1

    ] [2 0

    0 32

    ] [1 −1

    2

    0 1

    ]= LDLT .

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 38

    Figure 6: Positive definite, Indefinite, Semidefinite functions in 2 dim

    u21 − 2u1u2 + u22 = (u1 − u2)

    2.

    2u21 − 6u1u2 + 2u22 = (u1 − 3u2)

    2 − 8u22.

    • Positive definiteness from ATA,ATCA,LDLT , QΛQT

    1. K = ATA is symmetric positive definite iffA has independent columns:

    uTKu = uTATAu = (Au)TAu = ∥Au∥ > 0 for x ̸= 0 if Ahas full rank.

    2. K = ATCA is symmetric positive definite iff A has independent

    columns and C is symmetric positive definite:

    uTKu = uTATCAu = (Au)TCAu > 0 for x ̸= 0.

    3. If symmetric K has a full set of positive pivots, it is positive definite:

    K = LDLT , the diagonal pivot matrix D is positive definite and LT

    has independent columns.

    4. If a symmetric K has all positive eigenvalues in Λ, it is positive definite:

    K = QΛQT , Q−1 = QT .

    • Minimum Problem in n Dimensions

    Very often, 12uTKu is the “internal energy” in the system.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 39

    P (u) =1

    2uTKu− uTf : total energy

    ∇P = Ku− f = 0: the first necessary conditionH = K > 0, positive definite: the second sufficient conditon

    P (K−1f) = 12(K−1f)TK(K−1f)− (K−1f)Tf = −1

    2fTK−1f

    P (u)− P (K−1f) =1

    2uTKu− uTf − (−

    1

    2fTK−1f)

    =1

    2(u−K−1f)TK(u−K−1f) ≥ 0.

    • Test for a minimum: Positive Definite Second DerivativesTest for 1 dimensional function:

    f(x) = f(a)︸ ︷︷ ︸const

    + f ′(a)︸ ︷︷ ︸slope = 0

    (x− a) +1

    2f ′′(a)︸ ︷︷ ︸

    concavity >0

    (x− a)2 + · · ·

    by Taylor series.

    Test for n dimensional function:

    P (u) = P (u∗)+(u−u∗)T∇P (u∗)+1

    2(u−u∗)TH(u∗)(u−u∗)+· · ·

    again by Taylor series.

    For minimum,

    (1st derivative vector: slope) ∇P (u∗) =

    ∂P∂u1...∂P∂un

    = 0and

    (2nd derivative matrix: concavity) Hij =∂2P

    ∂ui∂uj=

    ∂2P

    ∂uj∂ui= Hji > 0

    i.e. positive definite.

    • Newton method

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 40

    Approximation by by quadratic form:

    P (u) ≈P (u∗)︸ ︷︷ ︸=0

    +(u− u∗)T︸ ︷︷ ︸uT

    ∇P (u∗)︸ ︷︷ ︸−f

    +1

    2(u− u∗)T︸ ︷︷ ︸

    uT

    H(u∗)︸ ︷︷ ︸K

    (u− u∗)︸ ︷︷ ︸u

    :=1

    2uTKu− uTf

    ⇒ Ku = f.

    H(u∗)(u− u∗) = −∇P (u∗).

    Newton’s method: H(ui)(ui+1 − ui) = −∇P (ui)

    If ui hits exactly a minimum u∗ (not too likely)∇P (u∗) = 0, so ui+1−ui = 0, no more steps.

    It is an iterative method to solve a minimum problem.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 41

    §1.7 Numerical Linear Algebra: LU, QR, SVD

    Ex) Ku = f or Kx = λx or Mu′′ + Ku = 0

    Crucial properties of K: symmetric? banded? sparse? well-conditioned?

    • Three Essential Factorization

    1. A = LU = lower triangle matrix × upper triangle matrixby Gaussian elimination.

    2. A = QR = Orthogonal matrix × upper triangle matrixby Gram-Schmidt orthogonalization or Householder transformation.

    3. A = UΣV T = orthonormal columns × singular values × orthonor-mal lows

    by singular value decomposition.

    It is a ‘generalized eigenvalue decomposition’. cf) QΛQT .

    • Orthogonal Matrices

    ⟨qi, qj⟩ = qTi qj = 0 if i ̸= j (orthogonality)⟨qi, qi⟩ = qTi qi = 1 (normalization to unit vector)Let Q = [q1|q2| · · · |qn].

    QTQ =

    qT1qT2...

    qTn

    q1 q2 · · · qn

    = 1 . . .

    1

    = IThe inverse is its transpose: Q−1 = QT .

    Length preserving (also angle preserving): ∥Qx∥ = ∥x∥

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 42

    Ex) permutations, rotations, reflections.

    Example 13 Permutation: the same rows as I, in a different order. 0 1 00 0 11 0 0

    xyz

    = yzx

    P TP = IExample 14 Rotation

    Rotation matrix in the 1− 3 plane:

    cos θ 0 − sin θ0 1 0sin θ 0 cos θ

    Example 15 Reflection: The reflection takes v to Hv on the other side

    of a plane mirror. The unit vector u perpendicular to the mirror is reversed

    into Hu = −u.Reflection matrix u = (cos θ, 0, sin θ):

    H =I − 2uuT =

    1 0 00 1 00 0 1

    − 2 cos θ0

    sin θ

    [cos θ, 0, sin θ]=

    1− cos2 θ 0 −2 sin θ cos θ0 1 0−2 sin θ cos θ 0 1− sin2 θ

    = − cos 2θ 0 − sin 2θ0 1 0− sin 2θ 0 cos 2θ

    detH = −1, Hu = (I − 2uuT )u = u− 2u = −u.It is a popular method for QR decomposition.

    • Orthogonalization A = QR

    1. Gram-Schmidt algorithm

    Am×n =

    a1 · · · an

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 43

    Figure 7: Householder transformation

    Figure 8: Gram-Schmidt orthogonalization

    rank n, independent n vectors, consists of a basis for the column space of

    A

    q1 :=a1∥a1∥

    , a1 = r11q1 with r11 =: ∥a1∥.B = a2 − (qT1 a2)q1 is orthogonal to q1.qT1 a2: projection in the q1 direction := r12.

    q2 =B∥B∥ = r22.

    Gram-Schmidt a1 an =

    q1 q2 [ r11 r12

    0 r22

    ]i.e.

    a1 = r11q1

    a2 = r12q1 + r22q2

    2. Householder algorithm : I − 2uuT- used in MATLAB and popular numerical linear algebra package.

    The great virtue of Q is its stability.

    Qx = b is perfectly conditioned since ∥x∥ = ∥b∥ and an error △bproduces an error △x of the same size:Q(x +△x) = b +△b gives Q(△x) = △b and ∥△x∥ = ∥△b∥.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 44

    Singular Value Decomposition

    Motivation: If Am×n is symmetric positive definite, QΛQT .

    If a full-rank matrix A is not symmetric, furthermore, not square i.e. general

    m× n, what can we do?

    A︸︷︷︸m×n

    = U︸︷︷︸m×m

    Σ︸︷︷︸m×n

    V T︸︷︷︸n×n

    with UTU = I and V TV = I.

    Note that ATA is symmetric positive definite.ATA︸ ︷︷ ︸n×n

    =(UΣV T )T (UΣV T ) = V ΣTUTUΣV T

    = V︸︷︷︸n×n

    ΣTΣ︸ ︷︷ ︸n×n

    V T︸︷︷︸n×n

    = V

    σ21 . . .σ2n

    V T

    :=QΛQT = Q

    λ . . .λ

    QT with Q = V, λi = σ2.It is an eigenvalue decomposition of ATA.

    From AV = UΣ Avi = σiui ⇒ ui = Avi/σi.Since AAT = (UΣV T )(UΣV T )T = UΣΣTUT ,

    ui are orthonormal eigenvectors of AAT .

    Reduced SVD :

    (rank r case)

    Am×n = Um×r︸ ︷︷ ︸left singular vector

    Σr×r UTr×n︸ ︷︷ ︸

    right singular vector

    =

    u1 · · · ur σ1 . . .

    σr

    vT1...

    vTr

    with singular values σ1 ≥ σ2 ≥ · · ·σr > 0.MATLAB command: svd(A, 0).

    To complete v’s, add any orthogonal basis vr+1, · · · , vn for nullspace ofA.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 45

    Figure 9: Reduced SVD of the full-rank A

    To complete u’s, add any orthogonal basis ur+1, · · · , um for nullspace ofAT .

    To complete Σ to an m by n matrix, add zeros.

    Full SVD :

    Am×n = Um×mΣm×nUTn×n

    =

    u1 · · · ur ur+1 · · · umσ1

    . . .

    σr

    vT1...

    vTrvTr+1...

    vTn

    MATLAB command: svd(A).

    Figure 10: Full SVD of the full-rank A

    A = u1σ1v1 + u2σ2v2 + · · ·urσrvr

    Avj =

    {σjuj for j ≤ r,0 for j > r.

    ATuj =

    {σjvj for j ≤ r,0 for j > r.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 46

    Figure 11: The transformation A in terms of SVD: ‘Fundamental Theorem of Linear Algebra’ byStrang.

    Example 16 Find the SVD for A =

    [1 1

    7 7

    ].

    Sol) ATA =

    [1 7

    1 7

    ] [1 1

    7 7

    ]=

    [50 50

    50 50

    ].

    det(ATA− λI) =∣∣∣∣ 50− λ 5050 50− λ

    ∣∣∣∣ = (50− λ)2 − 502=λ2 − 100λ = λ(λ− 100).

    λ = 100, 0 with eigenvectors [v1, v2] =1√2

    [1 1

    1 −1

    ].

    Now σ = 10, 0:

    u1 = Av1/σ1 =110

    [1 7

    1 7

    ]1√2

    [1

    1

    ]= 1

    10√2

    [2

    14

    ]= 1

    5√2

    [1

    7

    ].

    u2 =1

    5√2

    [−71

    ]since uT2u1 = 0 and ∥u2∥ = 1.

    A = UΣV T =1

    5√2

    [1 −77 1

    ] [10 0

    0 0

    ]1√2

    [1 1

    1 −1

    ](full)

    =1

    5√2

    [1

    7

    ]10

    1√2

    [1 1

    ](reduced)

    .

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 47

    Example 17 SVD of the n + 1 by n backward difference matrix △−.vk and uk are DST and DCT matrices. i.e. △− = (DCT)Σ(DST)T .Thus △−(DST)T = (DCT)Σ.cf)(sinnπx)′ = nπ cosnπx.

    • The Pseudoinverse

    If A = QΛQT = Q

    λ1 . . .λn

    QT with full lank, AQ = QΛ.A−1 = QΛ−1QT = Q

    1/λ1 . . .1/λn

    QT , A−1Q = QΛ−1.If Aqi = λqi, A

    −1qi = 1/λiqi.

    Similarly, Avi = σiui, then A−1ui = 1/σivi.

    For a square and invertible A,

    if A = UΣV T then A−1 = V Σ−1UT .

    Now, if A is nonsquare or singular?

    Pseudoinverse A+ = V Σ+UT , A+ui =

    vi

    σifor i ≤ r

    0 for i > r

    Example 18 Find the pseudoinverse A+ of A =

    [1 1

    7 7

    ].

    Sol)

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 48

    A+ = V Σ+UT =1√2

    [1 −11 1

    ] [1/10 0

    0 0

    ]1

    5√2

    [1 7

    −7 1

    ](full)

    =1√2

    [1

    1

    ]1/10

    1

    5√2

    [1 7

    ](reduced)

    =1/100

    [1 7

    1 7

    ] .

    • The Condition Number and Norm

    The condition number c(K) = λmaxλmin

    for symmetric positive definite K.

    It measures the “sensitivity” of the linear system Ku = f .

    △f : measurement error, roundoff etc.Ku = f K(u +△u) = f +△f.The error equation: K△u = △f ⇒△u = K−1△f

    ∥△u∥ ≤ λmax(K−1)∥△f∥ =1

    λmin(K)∥△f∥,

    since it is maximized when △f = qmin. i.e. K−1qmin = 1λmin(K)qmin.The λmin indicates how close K to a singular matrix.

    With c >> 1, λmin(cK) = cλmin(K), it is far away from singular.

    But if we multiply K by 1000 for examle, then u and△u should be dividedby 1000. That rescaling to make K less singular and λmin larger cannot

    change the reality of the problem.

    The relative error ∥△u∥∥u∥ stays the same.

    ∥△u∥ ≤∥△f∥λmin(K)

    .

    ∥f∥ = ∥Ku∥ ≤ λmax(K)∥u∥ ⇒1

    ∥u∥≤

    λmax(K)

    ∥f∥.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 49

    ∥△u∥∥u∥

    ≤λmax(K)

    λmin(K)

    ∥△f∥∥f∥

    .

    Condition number for

    symmetric positive definite Kc(K) =

    λmax(K)

    λmin(K)

    Definition 19 Matrix norm (induced)

    ∥A∥ = maxx̸=0

    ∥Ax∥∥x∥

    = max∥x∥=1

    ∥Ax∥

    Remark The norm of a matrix measures the maximum stretching the matrix

    does to any vector.

    Figure 12: Matrix norm

    Definition 20 Condition number

    c(A) = ∥A∥∥A−1∥

    ∥Ax∥∥x∥

    ≤ ∥A∥ for all x ̸= 0⇒ ∥Ax∥ ≤ ∥A∥∥x∥.

    ∥AB∥ ≤ ∥A∥∥B∥ and ∥A + B∥ ≤ ∥A∥+ ∥B∥.

    Computational Science & Engineering (CSE) Yoon Mo Jung

  • Ch 1. Applied Linear Algebra 50

    ∥A∥2 = maxx ̸=0

    ∥Ax∥2

    ∥x∥2= max

    x̸=0

    xTATAx

    xTx︸ ︷︷ ︸Raleigh quotient

    = λmax(ATA) = σ2max.

    c(A) = ∥A∥∥A−1∥ =σmax

    σmin.

    1 = ∥I∥ = ∥AA−1∥ ≤ ∥A∥∥A−1∥.λmax(A) ≤ σmax(A).

    Example 21 A =

    [0 2

    0 0

    ].

    |A− λI| =∣∣∣∣ −λ 20 −λ

    ∣∣∣∣ = λ2 = 0, λmax = 0.ATA =

    [0 0

    2 0

    ] [0 2

    0 0

    ]=

    [0 0

    0 4

    ], σmax = 2 = ∥A∥.

    Computational Science & Engineering (CSE) Yoon Mo Jung