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If we think of matrices as multi-dimensional
generalizations of numbers, we may draw useful analogies between numbers
and matrices. Not least of these is an analogy between positive numbers
and positive definite matrices.
Just as we can take square roots of positive numbers, so
can we take “square roots” of positive definite matrices.
A symmetric matrix x is said to be:
positive
definite if
> 0 for all row vectors b
0;
positive
semidefinite if
0 for all row vectors b;
negative
definite if
< 0 for all row vectors b
0;
negative
semidefinite if
0 for all row vectors b;
indefinite
if none of the above hold.
These definitions may seem abstruse, but they lead to an
intuitively appealing result. A symmetric matrix x is:
positive
definite if all its eigenvalues
are real and positive;
positive
semidefinite if all its eigenvalues are real and nonnegative;
negative
definite if all its eigenvalues are real and negative;
negative
semidefinite if all its eigenvalues are real and nonpositive;
indefinite
if none of the above hold.
It is useful to think of positive definite matrices as
analogous to positive numbers and positive semidefinite matrices as
analogous to nonnegative numbers. The essential difference between
semidefinite matrices and their definite analogues is that the former can
be singular whereas the latter cannot. This follows because a matrix is
singular if and only if it has a 0 eigenvalue.
Nonnegative numbers have real square roots. Negative numbers do
not. An analogous result holds for matrices. Any positive semidefinite
matrix h can be factored in the form
for some real square matrix k, which we may think of as a
matrix square root of h. The matrix k is not
unique, so multiple factorizations of a given matrix h are
possible. This is analogous to the fact that square roots of positive
numbers are not unique either. If h is nonsingular (positive
definite), k will be nonsingular. If h is
singular, k will be singular.
A particularly easy factorization
to perform is one known as the
Cholesky factorization. Any positive semidefinite matrix has a
factorization of the form
where g is a lower triangular matrix. Solving for g
is straightforward. Suppose we wish to factor the positive definite matrix
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[1] |
A Cholesky factorization takes the form
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[2] |
By inspection,
Also by inspection,
Since we already have
,
we conclude
.
Proceeding in this manner, we obtain a matrix g in 6 steps:

Our Cholesky matrix
is
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[3] |
The above example illustrates a
Cholesky algorithm, which generalizes
for higher dimensional matrices. Our algorithm entails two types of
calculations:
1. Calculating diagonal elements
(steps 1, 4, and 6) entails taking a square root.
2. Calculating off-diagonal elements
,
i > j, (steps 2, 3, and 5) entails dividing some number by
the last-calculated diagonal element.
For a positive definite matrix h, all
diagonal elements
will be nonzero. Solving for each entails taking the square root of a
nonnegative number. We may take either the positive or negative root.
Standard practice is to take only positive roots. Defined in this manner,
the Cholesky matrix of a positive definite matrix is unique.
The same algorithm applies for singular positive
semidefinite matrices h, but the result is not generally
called a Cholesky matrix. This is just an issue of terminology. When the
algorithm is applied to the singular h, at least one
diagonal elements
equals 0. If only the last diagonal element
equals 0, we can obtain g as we did in our example. If some
other diagonal element
equals 0, off-diagonal element
will be indeterminate. We can set such indeterminate values equal to any
value within an interval [–a, a], for some a
0.
Consider the matrix
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[4] |
Performing the first four steps of our algorithm above, we
obtain
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[5] |
In the fifth step, we multiply the second row of g
by the third column of g' to obtain
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[6] |
We already know
,
so we have
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[7] |
| [8] |
which provides us with no means of determining
.
It is indeterminate, so we set it equal to a variable x and proceed
with the algorithm. We obtain
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[9] |
For the element
to be real, we can set x equal to any value in the interval [–3,3].
The interval of acceptable values for indeterminate components will vary,
but it will always include 0. For this reason, it is standard practice to
set all indeterminate values equal to 0. With this selection, we obtain
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[10] |
We can leave g in this form, or we can
delete the second column, which contains only 0’s. The resulting 3 2
matrix provides a valid factorization of h since
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[11] |
If a matrix h is not positive semidefinite,
our Cholesky algorithm will, at some point, attempt to take a square root
of a negative number and fail. Accordingly, the Cholesky algorithm is a
means of testing if a matrix is positive semidefinite.
In exact arithmetic, the Cholesky algorithm will run to completion with
all diagonal elements
> 0 if and only if the matrix h is positive definite. It
will run to completion with all diagonal elements
0 and at least one diagonal element
= 0 if and only if the matrix h is singular positive
semidefinite.
Things are more complicated if arithmetic is performed
with rounding, as is done on a computer. Off-diagonal elements are
obtained by dividing by diagonal elements. If a diagonal element is close
to 0, any roundoff error may be magnified in such a division. For example,
if a diagonal element should be .00000001, but roundoff error causes it to
be calculated as .00000002, division by this number will yield an
off-diagonal element that is half of what it should be.
An algorithm is said to be unstable if roundoff error can
be magnified in this way or if it can cause the algorithm to fail. The
Cholesky algorithm is unstable for singular positive semidefinite matrices
h. It is also unstable for positive definite matrices
h that have one or more eigenvalues close to 0.
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Identify
all factorizations of the following matrices that are obtainable
with the Cholesky algorithm. Take
only positive square roots when selecting nonzero diagonal
elements
. In each case, is the original
matrix positive definite, singular positive semidefinite, or
neither of these? a.
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[e1] |
b.
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[e2] |
c.
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[e3] |
[solution] |
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