Neutron Spectra Unfolding With Maximum Entropy and Maximum Likelihood
Neutron Spectra Unfolding With Maximum Entropy and Maximum Likelihood
To cite this article: Shikoh ITOH & Toshiharu TSUNODA (1989) Neutron Spectra Unfolding with
Maximum Entropy and Maximum Likelihood, Journal of Nuclear Science and Technology, 26:9,
833-843, DOI: 10.1080/18811248.1989.9734394
A new unfolding theory has been established on the basis of the maximum entropy principle
and the maximum likelihood method. This theory correctly embodies the Poisson statistics of
neutron detection, and always brings a positive solution over the whole energy range. More-
over, the theory unifies both problems of overdetermined and of underdetermined. For the
latter, the ambiguity in assigning a prior probability, i.e. the initial guess in the Bayesian sense,
has become extinct by virtue of the principle. An approximate expression of the covariance
matrix for the resultant spectra is also presented. An efficient algorithm to solve the nonlinear
system, which appears in the present study, has been established. Results of computer simula-
tion showed the effectiveness of the present theory.
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834 ]. Nucl. Sci. Techno[.,
the least-squares method, has little influence A diagonal matrix A formed by the ele-
on the results. .. ments of: a vector x. is expressed by
Turning our eyes to other fields of science
A=diag(x),
and engineering, the MEP (maximum entropy
principle) due to jaynes< 6 ><G> is being increas- A norm of vector x is denoted by
ingly important as a foundation to attack a
variety of "inverse problems," and bringing
II xll =(xt x) 112 •
many spectacular results in these fields, e. g. A vector whose elements are all unity is
seismology< 7>, optics<s>, astronomy< 9>, tomogra- expressed by
phy<'O><''', crystallography< 12 >, photography<' 3 '
u=(1, 1, ... , 1)t,
and so on. The prime superiority of the MEM
(maximum entropy method) is in its intrinsic where the length of u will be specified at used
nature of warranting the positiveness of solu- positions.
tion by nothing but objective facts. The expectation of a random variable x is
The purpose of the present paper is to denoted by putting it in brackets: <x>. The
introduce the MEM into the neutron spectra covariance matrix of x is written as
unfolding problem, making the procedure free
I,=((x-<x>)(x-<x>)t>=<ox·oxt>.
from the "art." In Chap. II, the unfolding
problem is formulated on the basis of the 2. Definitions
MEP. An approximate expression of the co- Let rp 1 the number of neutrons incident on
variance matrix for the unfolded result is also a detector and belonging j-th energy group,
presented. Chapter ill is devoted to the algo- and let c; the counts in i-th channel of a
rithm requisite to obtain the solutions of the pulse-height histogram of recoil-protons.
nonlinear equation system which appears in Then, the two quantities are related as
the present formulation of the problem. In
Chap. IV, results of computer simulations test-
ing the method's performance are shown.
Chapter V summarizes the present study. In or in matrix notation
APPENDIX 1, a concise summary of the MEM
C';::!Rrp, ( 1')
is given. In APPENDIX 2 are presented some
of formulae which might be helpful to handle where R; 1 is the probability that one neutron
vector matrix equations in this study. of j-th group brings a count in i-th channel.
Taking the expectation of both sides of Eq.
ll. FORMULATION OF PROBLEM ( 1') and denoting the total number of neu-
1. Notations trons incident on the detector by a, we have
In this paper, lightface letters indicate
a=Rp, (2)
scalar quantities, bold small letters vectors,
and bold capitals matrices. Where necessary, where a=<c>!a, ( 3)
vector matrix elements are indicated by sub-
p=(rp)/a, (4)
scripted corresponding letters.
Matrices At, A-' and A- denote the trans- a=ut<rp>, (5)
pose, inverse and generalized inverse (g-inverse)
utp=l. (6)
of A, respectively.
For notational convenience, the expressions 3. Introduction of MEM
Based on the MEP, we should choose the
energy distribution p which maximizes
H=-p 1 lnp, ( 7)
where
a
H(x)=. ax g(x)
(36)
where In is the identity matrix of order n,
=RQMR 1 +RQR1 and
·(___!!_uu 1 -A-'DA-')RQR 1 ,
(37)
a to,
is the efficiency vector of the detector. The
(29)
relation (36) shows that ocpi=O, thereby (I rp)ik
and where M=.diag(p), (30) =<ocprocpk>=O, for Pi==Qii=O. Based on the
above observations, let p and Q be of reduced
D=.diag(c). (31)
size in which zero elements are omitted, and
In getting the right-hand side of Eq. (29), the let R is also of reduced one in which columns
relations given in APPENDIX 2 might be help- corresponding to zero elements in p are
ful. omitted.
For the cases where m>n, i.e. overdeter- For the cases when m<n the matrix RQR 1
mined problem, the number m of elements in can be considered regular, consequently Eq.
x is equal to that of equations. Nevertheless, (20) reduces to
the value of x which satisfies Eq. (20) cannot
c-aRp=O, (38)
be uniquely determined, since the rank of
mXm matrix RQR 1 is n at most. It is suf- obtaining a relation of
ficient, however, to know the value of R 1x,
1 1
but not of x itself, for determining p. Hence oc=aR(In- - -ps 1)QR 1ox+ - -autoc
atot atot
we may choose
(39)
(32)
=Rorp. (40)
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Vol. 26, No. 9 (Sep. 1989) 837
trix H is almost always of ill-conditioning, as 0 MeV and continued through 17.0 MeV.
recognized through the form of Eq. (29). To 2. Response Matrix
overcome this difficulty, we employed the in- The response functions used, i.e. column
complete (or modified) Cholesky method<' 7 > in vectors in R, are of idealized rectangular
obtaining the correction ox< k>. shape which are the same as used in our
Next, we need to adjust Rtx(=y), to avoid previous study<•> ;
exponential overflows in calculating p by Eq. 1/w, l~i~[w],
( 8 ), as
where
Rii=
m
!1-[w]/w,
0,
.
w=nXJ,
i=[w]+l,
[w]+2~i~m,
(66)
an absurd value of £<k>, and also of JJg<k>J[,
will usually be encountered. Even if not so, and the brackets denote the Gauss notation.
the new vector x<k+l> does not satisfy neither With reference to commonly used matrix
sizes<' 9 >< 20 l, the number m of pulse-height bins
(61) was chosen as 104 for the problems of over-
(62) determined, and as 52 for those of under-
determined, respectively, while the number n
in almost all iterative steps. Then the intro- of energy groups was fixed to 77.
duction of a step size s<k>, which adjusts the 3. Recoil-proton Pulse-height Data
magnitude of ox<k>, become essential to relay
To simulate experimental data, recoil-proton
on Newton's method; spectra c of mean Rv; were computed using
ox<k>~s<k>ox<k)' (63) the computer subroutine "RANP2" which gen-
erates Poisson random numbers for a given
where 0<s<k>=s,f3 1, (64)
mean value< 2 '>.
and where s 0 and {3<1 are scalar constants 4. Initial Guess Spectra
prescribed. With Armijo's method the step As is obvious from the results in Chap. II,
size was determined in every k<'s>. unfolded spectra by the present method cannot
In earlier iterations, we must use Eq. (61) be affected by an arbitrary choice of initial
as a criterion to determine the order l of {3, guess, but it may be better for faster con-
to reach the global maximum of L, while vergence of the iterative scheme to employ
avoiding trapped by one of local extrema. an appropriate initial guess spectrum of v;.
Following this scheme, however, the sequence At first, calculate
{x<k>} converges to a point, while g<k> is far
(67)
away from 0. By changing the criterion to
Eq. (62) at this point, {g<k>} converges to 0 where R+ is the Moore-Penrose g-inverse of
and satisfactory solution can be obtained. R<''>. Equation (67) gives the least-squares
solution without weight for the cases when
W. NUMERICAL TEST m>n, or the minimum norm one for m<n.
1. Test Spectra "Next, smoothen f/Jinit, fix up negative por-
In order to test the present method, we tions in it to some small constants, e. g.
applied it to four types of assumed spectra: machine epsilon, and normalize the result so
(1) two kinds of Gaussian shape spectra with that the sum of its elements is unity to make
average energies of 14.8 and 8.5 MeV, respec- an initial guess p< 0 > with which the iterative
tively, whose standard deviations were as- scheme starts.
sumed to 1. 0 MeV ; (2) a monotonically de- 5. Error Magnification Rate
creasing (ramp-down) ; (3) a monotonically in- As a measure for overall relative error in
creasing (ramp-up); and (4) a fiat spectrum. an unfolded result, we may choose a ratio of
Excepting case (1) these spectra started at norms:
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Vol. 26, No. 9 (Sep. 1989) 839
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840 ]. Nucl. Sci. Techno/.,
•••
IAI 181
•••
"'>
...a:
.. ...
~
>
.. ...
~
~
z
0
...::>
"'zo.r
•••
...> •••
IAI 181
"
...a:
..
~a .
•
•
.. D
j \. .
.t 1
. \
••• s.o ao.o
NEUTRON ENERGY I "EY I
11-0 ... ••• ••••
NEUTRON ENEROY I "EY I
••••
(b)
...> •••
...
a:
"'~~-·
...
>
X:
;:;;
z
0
....
::::>
...z Q.l
...
••• ,.. ....
NEUTRON ENERGY I "EY I
... ••• ••••
NEUTRON ENE ROY I "EY I
JI,Q
( c)
Fig. l(a)-(e) Comparison of original spectrum (histogram) and unfolded spectrum
(dots with error bars) ; (A) for m=104 (number of pulse-height bins)
and n=77 (number of energy groups), (B) for m=52 and n=77
Vol. 26, No. 9 (Sep. 1989) 841
I.Q
IAI
.. o.•
..
>
....
.;:1 •.•
•
. ..
>
z:
......•
;,
z
~
zo.:t
Fig. l(d)
IAI 181
D·l
w
>
o.o
Fig. l(e)
While the present paper has been written R. H.: Neutron response matrix for unfolding
in a form close to recoil-proton data unfolding, NE-213 measurements to 21 MeV, ORNL;
RSIC-40, (1976).
the theory can find broad applications, since
tzl) FORTRAN SSL-li User's Guide, No. 99sp-0050-
the response matrices have been symbolically 4, Fujitsu Inc.
treated but not characterized for specific prob-
lem. Applications to Bonner detector data [APPENDIX]
and activation foil data may be especially in- 1. Brief Review of Maximum
teresting. Entropy Method
Consider a random variable x which can
ACKNOWLEDGMENT take on the values (x 11 X 2 , .. • , Xn). Then, the
The authors wish to express their thanks quantity
to Prof. T. Katoh of Department of Nuclear
Engineering, Nagoya University, for his en- (Al)
couragements in preparing the present paper
and for his thorough review of the manuscript. is known as Shannon's information entropy,
where p1 is the probability of occurrence of
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Vol. 26, No. 9 (Sep. 1989) 843
( 2) Definitions
The symbols ar ;ax and ar;ax are used as
usual:
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