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JOURNAL OF COMPUTING, VOLUME 2, ISSUE 11, NOVEMBER 2010, ISSN 2151-9617 HTTPS://SITES.GOOGLE.COM/SITE/JOURNALOFCOMPUTING/ WWW.JOURNALOFCOMPUTING.ORG 102
Forecasting Material Properties using Functional Networks
 
S. O. Olatunji, Akeem Olowolayemo, Imran A. Adeleke
 Abstract
 
This paper presents a new prediction model of material properties (strength of materials) based on composition and microstructure using Functional Networks (FN). Recently, Functional Networks have been proposed as a new intelligence framework for both prediction and classification. It is a generalization of the standard neural networks, dealing with general functional models instead of sigmoid-like ones. In this work, a Functional Networks model has been developed and used to predict the tensile strength of gray cast iron based on five input features that include: the carbon equivalent, the graphite flake size, the micro-hardness of the matrix, the amount of austenite dendrite and the eutectic cell count. The comparative performance of the proposed model with that of the earlier used approaches for predicting strength of materials such as Fuzzy Neural Networks, Multiple Linear Regression, Generalized Regression Neural Network, and Fuzzy Regression shows that FN outperformed others, particularly in terms of accuracy, reliability and efficiency. This work will be a great contribution to the field of material science since a common goal for Materials Scientists and Engineers is the determination of the relationship between the structure of a material and its properties.
Index
 
Terms
 Functional Networks, Neural Networks, Material Properties Forecasting, Microstructure, Tensile Strength.
——————————
 
 
——————————
1 I
NTRODUCTION
 
ATERIAL
 
properties
 
are
 
very
 
important
 
in
 
most
 
Mechanical
 
Engineering
 
computations.
 
Determining
 
the
 
relationship
 
 between
 
the
 
structure
 
of
 
a
 
material
 
and
 
its
 
properties
 
has
 
 been
 
a
 
common
 
concern
 
for
 
material
 
scientists
 
and
 
engineers
 
[2].
 
Experimental
 
procedures
 
are
 
usually
 
required
 
to
 
determine
 
this
 
relationship.
 
However,
 
with
 
the
 
advent
 
of
 
predictive
 
algorithms,
 
new
 
approaches
 
for
 
estimating
 
these
 
material
 
properties
 
 become
 
available,
 
making
 
it
 
more
 
convenient
 
to
 
statistically
 
determine
 
this
 
relationship.
 
The
 
main
 
contribution
 
of
 
this
 
work
 
is
 
to
 
the
 
field
 
of
 
material
 
science,
 
since
 
for
 
Materials
 
Scientists
 
and
 
Engineers
 
alike,
 
a
 
universal
 
concern
 
is
 
the
 
determination
 
of
 
the
 
relationship
 
 between
 
the
 
structure
 
of
 
a
 
material
 
and
 
its
 
properties.
 
Obviously,
 
the
 
ability
 
to
 
predict
 
the
 
properties
 
of
 
materials
 
prior
 
to
 
their
 
synthesis
 
and
 
processing
 
would
 
 be
 
of
 
tremendous
 
value
 
in
 
optimizing
 
the
 
end
 
products
 
[2].
 
Numerous
 
algorithms
 
and
 
approaches
 
have
 
 been
 
employed
 
earlier
 
to
 
estimate
 
these
 
material
 
properties.
 
These
 
algorithms
 
include
 
State
 
of
 
Equations,
 
Statistical
 
Regression,
 
and
 
Neural
 
Networks
 
modeling
 
schemes.
 
Unfortunately,
 
adoption
 
of
 
these
 
earlier
 
approaches
 
is
 
confronted
 
 by
 
two
 
challenges;
 
accuracy
 
is
 
often
 
limited
 
giving
 
rise
 
to
 
poor
 
generalization
 
problem
 
due
 
to
 
the
 
requirement
 
of
 
large
 
amount
 
of
 
training
 
data
 
in
 
order
 
to
 
acquire
 
high
 
learning
 
precision
 
while
 
experimental
 
data
 
is
 
expensive
 
to
 
obtain
 
and
 
are
 
not
 
readily
 
available
 
for
 
new
 
material
 
design.
 
Recently,
 
Functional
 
Networks
 
have
 
 been
 
proposed
 
as
 
a
 
new
 
intelligence
 
framework
 
for
 
 both
 
prediction
 
and
 
classification.
 
It
 
is
 
a
 
generalization
 
of
 
the
 
traditional
 
neural
 
networks,
 
instead
 
of
 
the
 
sigmoid
like
 
models,
 
it
 
deals
 
with
 
general
 
functional
 
models.
 
In
 
functional
 
networks
 
the
 
functions
 
associated
 
with
 
the
 
neurons
 
are
 
not
 
fixed
 
 but
 
are
 
learnt
 
from
 
the
 
available
 
data
 
and
 
have
 
the
 
ability
 
to
 
achieve
 
good
 
generalization
 
in
 
the
 
face
 
of
 
scarce
 
data
 
[4].
 
In
 
this
 
work,
 
a
 
functional
 
networks
 
(FN)
 
model
 
has
 
 been
 
developed
 
and
 
used
 
to
 
predict
 
the
 
tensile
 
strength
 
of
 
gray
 
cast
 
iron
 
 based
 
on
 
five
 
input
 
features
 
namely:
 
the
 
carbon
 
equivalent,
 
the
 
graphite
 
flake
 
size,
 
the
 
micro
hardness
 
of
 
the
 
matrix,
 
the
 
amount
 
of
 
austenite
 
dendrite
 
and
 
the
 
eutectic
 
cell
 
count.
 
We
 
applied
 
functional
 
network
 
model
 
to
 
forecast
 
the
 
relationship
 
 between
 
material
 
structure
 
and
 
properties
 
and
 
compared
 
our
 
results
 
with
 
the
 
performance
 
of
 
other
 
earlier
 
used
 
approaches
 
for
 
predicting
 
strength
 
of
 
materials,
 
like
 
Fuzzy
 
Neural
 
Networks,
 
Multiple
 
Linear
 
Regression,
 
Generalized
 
Regression
 
Neural
 
Network,
 
and
 
Fuzzy
 
Regression.
 
Comparative
 
results
 
show
 
that
 
functional
 
networks
 
performed
 
 better
 
in
 
relation
 
to
 
these
 
other
 
approaches.
 
Additionally,
 
it
 
was
 
also
 
confirmed
 
that
 
functional
 
networks
 
are
 
easier
 
and
 
quicker
 
to
 
train
 
thereby
 
are
 
useful
 
tools
 
as
 
an
 
alternative
 
to
 
the
 
traditional
 
artificial
 
neural
 
networks.
 
M
 ———————————————— 
 
 
S.O.
 
Olatunji
 
is
 
a
 
PhD
 
candidate
 
at
 
the
 
Faculty
 
of 
 
Computer
 
Science
 
and
 
Information
 
Systems,
 
Universiti
 
Teknologi
 
 Malaysia
 
 
 Akeem Olowolayemo is with
the
 
Intelligent
 
Environment
 
Research
 
Group,
 
 
ICT,
 
International
 
Islamic
 
University
 
 Malaysia.
 
 
Imran
 
 A.
 
 Adeleke
 
Imran
 
 Adeleke
 
is
 
a
 
PhD
 
candidate
 
at
 
the
 
Department
 
of 
 
information
 
Systems,
 
Faculty
 
of 
 
Computer
 
Science
 
and
 
Information
 
Systems,
 
Universiti
 
Teknologi
 
 Malaysia
 
© 2010 Journal of ComputingPress, NY, USA, ISSN 2151-9617
http://sites.google.com/site/journalofcomputing/
 
JOURNAL OF COMPUTING, VOLUME 2, ISSUE 11, NOVEMBER 2010, ISSN 2151-9617 HTTPS://SITES.GOOGLE.COM/SITE/JOURNALOFCOMPUTING/ WWW.JOURNALOFCOMPUTING.ORG
 103
The
 
work
 
presented
 
in
 
this
 
paper
 
has
 
a
 
useful
 
contribution
 
to
 
forecasting
 
of
 
material
 
properties,
 
which
 
is
 
a
 
field
 
characterized
 
 by
 
data
 
scarcity.
 
Since
 
it
 
is
 
difficult
 
to
 
find
 
sufficient
 
amount
 
of
 
data
 
set
 
for
 
training
 
and
 
testing
 
a
 
model,
 
any
 
model
 
that
 
requires
 
lesser
 
amount
 
of
 
data
 
set
 
would
 
 be
 
a
 
great
 
advantage.
 
However,
 
several
 
research
 
outcomes
 
have
 
demonstrated
 
FN
 
as
 
a
 
potential
 
prediction
 
method
 
that
 
can
 
make
 
relatively
 
accurate
 
predictions
 
in
 
the
 
face
 
of
 
few
 
data
 
sets.
 
This
 
has
 
also
 
 been
 
confirmed
 
 by
 
the
 
excellent
 
results
 
obtained
 
in
 
this
 
work.
 
The
 
implementation
 
processes
 
were
 
carried
 
out
 
 based
 
on
 
the
 
experimental
 
data
 
contained
 
in
 
[2]
 
and
 
which
 
were
 
also
 
earlier
 
used
 
in
 
[6,7
 
and
 
8].
 
Performance
 
measures
 
taken
 
demonstrated
 
the
 
superior
 
performance
 
of
 
functional
 
network
 
model
 
in
 
comparison
 
with
 
the
 
methods
 
earlier
 
used
 
on
 
the
 
same
 
data
 
set.
 
The
 
rest
 
of
 
this
 
paper
 
is
 
organized
 
as
 
follows.
 
Section
 
2
 
presents
 
the
 
proposed
 
intelligence
 
framework.
 
Section
 
3
 
provides
 
empirical
 
study,
 
implementations
 
process
 
and
 
comparative
 
studies.
 
Results
 
and
 
discussions
 
are
 
presented
 
in
 
the
 
concluding
 
part
 
of
 
this
 
section.
 
The
 
conclusion
 
and
 
future
 
work
 
as
 
well
 
as
 
recommendations
 
are
 
provided
 
in
 
Section
 
4.
 
2 THE
 
PROPOSED
 
FUNCTIONAL
 
NETWORKS
 
INTELLIGENCE
 
FRAMEWORK
Functional
 
networks
 
were
 
recently
 
introduced
 
as
 
an
 
extension
 
of
 
artificial
 
neural
 
networks
 
(ANNs)
 
and
 
unlike
 
ANNs,
 
they
 
estimate
 
unknown
 
neuron
 
functions
 
from
 
given
 
functional
 
families
 
during
 
the
 
training
 
process
 
[3].
 
functional
 
networks
 
have
 
 been
 
introduced
 
 by
 
previous
 
authors
 
as
 
a
 
generalization
 
of
 
the
 
standard
 
neural
 
networks
 
and
 
deal
 
with
 
general
 
functional
 
models
 
instead
 
of
 
sigmoid
like
 
ones
 
[4].
 
In
 
functional
 
networks,
 
the
 
functions
 
associated
 
with
 
the
 
neurons
 
are
 
not
 
fixed
 
 but
 
are
 
learnt
 
from
 
the
 
available
 
data
 
[1].
 
It
 
also
 
allows
 
converging
 
neuron
 
outputs,
 
forcing
 
them
 
to
 
 be
 
coincident.
 
This
 
leads
 
to
 
functional
 
equations
 
or
 
systems
 
of
 
functional
 
equations,
 
which
 
require
 
some
 
compatibility
 
conditions
 
on
 
the
 
neuron
 
functions.
 
Functional
 
networks
 
have
 
the
 
possibility
 
of
 
dealing
 
with
 
functional
 
constraints
 
that
 
are
 
determined
 
 by
 
the
 
functional
 
properties
 
of
 
the
 
network
 
model.
 
Functional
 
networks
 
scheme
 
has
 
 been
 
applied
 
to
 
 both
 
continuous
 
and
 
categorical
 
outcomes
 
and
 
it
 
has
 
 been
 
found
 
to
 
 be
 
effective
 
in
 
solving
 
wide
 
range
 
of
 
problems
 
in
 
areas
 
such
 
as
 
signal
 
processing,
 
pattern
 
recognition,
 
functions
 
approximations,
 
real
time
 
flood
 
forecasting,
 
 bioinformatics
 
and
 
medicine,
 
structure
 
engineering,
 
and
 
other
 
 business
 
applications
 
[4].
 
Various
 
comparative
 
studies
 
have
 
 been
 
carried
 
out
 
to
 
compare
 
the
 
effectiveness
 
of
 
functional
 
networks
 
in
 
relation
 
to
 
other
 
prediction/classification
 
modeling
 
schemes
 
and
 
have
 
shown
 
to
 
outperform
 
most
 
of
 
the
 
modeling
 
approaches
 
[5].
 
For
 
further
 
details
 
see
 
[9,
 
11
16].
 
A
 
 brief
 
discussion
 
of
 
functional
 
networks
 
is
 
presented
 
in
 
the
 
following
 
section.
 
A.
 
Working
 
With
 
Functional
 
Networks
 
In
 
this
 
section,
 
we
 
describe
 
how
 
functional
 
networks
 
can
 
 be
 
used.
 
Functional
 
network
 
as
 
described
 
in
 
[1]
 
is
 
defined
 
as
 
a
 
pair
 

X
 ,
 
where
 
X
 
is
 
a
 
set
 
of
 
nodes
 
and
 
{ 1 2 }
 j j j
 x f z j p
 
is
 
a
 
set
 
of
 
neuron
 
functions
 
over
 
X
 ,
 
such
 
that,
 
every
 
node
 
 j
 x
 
must
 
 be
 
either
 
an
 
input
 
or
 
an
 
output
 
node
 
of
 
at
 
least
 
one
 
neuron
 
function
 
in
 
 .
 
The
 
node
 j
 X 
 
X
 ,
 
for
 
all
 
 j
 
is
 
a
 
multiple
 
node
 
if
 
it
 
is
 
an
 
output
 
of
 
more
 
than
 
one
 
neuron
 
functions
 
or
 
a
 
simple
 
node
 ,
 
if
 
otherwise.
 
See
 
[
 
10,12,15
 
]
 
for
 
details.
 
Functional
 
networks
 
methodology
 
can
 
 be
 
more
 
easily
 
understood
 
 by
 
organizing
 
it
 
into
 
seven
 
steps,
 
described
 
 briefly
 
 below:
 
1.
 
Statement
 
of
 
the
 
problem
:
 
Understanding
 
the
 
problem
 
to
 
 be
 
solved.
 
This
 
is
 
a
 
key
 
step.
 
2.
 
Select
 
the
 
suitable
 
initial
 
architecture
:
 
The
 
selection
 
of
 
the
 
initial
 
topology
 
of
 
a
 
functional
 
network
 
is
 
 based
 
on
 
the
 
characteristics
 
and
 
the
 
knowledge
 
of
 
the
 
problem
 
at
 
hand,
 
which
 
usually
 
leads
 
to
 
a
 
single
 
clear
 
network
 
structure.
 
3.
 
Simplifying
 
the
 
initial
 
functional
 
network
:
 
The
 
initial
 
functional
 
network
 
is
 
simplified
 
using
 
functional
 
equations.
 
Given
 
a
 
functional
 
network,
 
we
 
wish
 
to
 
determine
 
whether
 
there
 
exists
 
another
 
functional
 
network
 
giving
 
the
 
same
 
output
 
for
 
any
 
given
 
input.
 
Functional
 
equations
 
are
 
the
 
main
 
tool
 
for
 
simplifying
 
functional
 
networks,
 
further
 
information
 
about
 
the
 
functional
 
equations
 
and
 
their
 
solutions
 
can
 
 be
 
found
 
in
 
[10].
 
In
 
general,
 
functional
 
network
 
architecture
 
can
 
 be
 
represented
 
 by
 
functional
 
equations,
 
their
 
solutions
 
lead
 
to
 
an
 
equivalent
 
 but
 
simpler
 
one.
 
This
 
will
 
lead
 
to
 
the
 
idea
 
of
 
network
 
equivalence.
 
Equivalent
 
Functional
 
Networks
:
 
We
 
say
 
that
 
the
 
two
 
FNs
 
1
X
 ,
 
2
X
 
are
 
equivalent,
 
if
 
they
 
give
 
the
 
same
 
output
 
for
 
any
 
given
 
input.
 
4.
 
Checking
 
uniqueness
 
of
 
representation
:
 
Conditions
 
for
 
the
 
neural
 
functions
 
of
 
the
 
simplified
 
Fig.1. (a) Associativity functional networks (b) The equivalent functional network.
 
104
JOURNAL OF COMPUTING, VOLUME 2, ISSUE 11, NOVEMBER 2010, ISSN 2151-9617 HTTPS://SITES.GOOGLE.COM/SITE/JOURNALOFCOMPUTING/ WWW.JOURNALOFCOMPUTING.ORG
 
functional
 
network
 
must
 
 be
 
obtained.
 
Sometimes,
 
for
 
a
 
given
 
structure,
 
we
 
can
 
get
 
different
 
output
 
for
 
the
 
same
 
set
 
of
 
inputs,
 
or
 
the
 
corresponding
 
functional
 
network
 
model
 
is
 
not
 
separable.
 
Thus,
 
we
 
must
 
check
 
the
 
uniqueness
 
conditions
 
on
 
representation
 
of
 
this
 
functional
 
network
 
and
 
finding
 
the
 
constraints
 
that
 
neural
 
functions
 
of
 
the
 
simplified
 
functional
 
network
 
must
 
satisfy.
 
For
 
example,
 
assume
 
that
 
there
 
are
 
two
 
set
 
of
 
functions
 
1 1 1
{ ( ) ( ) ( )}
 f p q
 
and,
 
2 2 2
{ ( ) ( ) ( )}
 f p q
 
such
 
that
 
they
 
give
 
the
 
same
 
output
 
for
 
the
 
same
 
input,
 
that
 
is,
 
1 11 1 1 2 2 2
[ ( ) ( )] [ ( ) ( )] fo
 p x q y f p x q y x y R
 
the
 
general
 
solution
 
of
 
which
 
is
 
2 1
( ) ( )
 x c f x
 .
 
This
 
means
 
that
 
c
 
is
 
not
 
identifiable
 
and
 
one
 
extra
 
condition
 
is
 
required.
 
For
 
example,
 
force
 
( )
 x y
 
to
 
have
 
uniqueness.
 
The
 
following
 
theorem
 
is
 
necessary
 
in
 
checking
 
the
 
uniqueness
 
of
 
a
 
functional
 
network:
 
Theorem
 
1
 
[Castillo
 
and
 
Ruiz
Cobo
 
(1992)
 
[10],
 
p.
 
52)]:
 
All
 
solutions
 
of
 
the
 
functional
 
equation
 
1
( ) ( ) 0
nk
 f x g y
 
can
 
 be
 
written
 
as:
 
1 1 1 1
( ) ( ) ( ) ( )( ) ( ) ( ) ( )
un u n n
 f x x g y y f x x g y y
  
A B
 
where
 
0
 u n
 
is
 
an
 
integer;
 
1
{ ( ) ( )}
u
 x x
 
 
and
 
1
{ ( ) ( )}
u n
 y y
 
 
 
are
 
two
 
arbitrary
 
systems
 
of
 
mutually
 
linearly
 
independent
 
functions;
 
 
ki n u
a
A
 ,
 
and
 
( )
kjn n u
b
 
B
 
are
 
constant
 
matrices
 
with
 
11 1 1 1 11 21 1 2
0
n u nuu nu n u n nn u
a a b b ba a b b b
    
A B
 
 
where
 
0
 
is
 
a
 
( )
u n u
 
zero
 
matrix.
 
5.
 
Learning
 
Algorithm
:
 
Once
 
the
 
structure
 
of
 
the
 
functional
 
network
 
is
 
known
 
in
 
Step
 
2,
 
the
 
neural
 
functions
 
of
 
the
 
network
 
must
 
 be
 
learned
 
(estimated)
 
using
 
some
 
minimization
 
methods.
 
In
 
functional
 
networks,
 
this
 
learning
 
process
 
consists
 
of
 
obtaining
 
the
 
neural
 
functions
 
 based
 
on
 
a
 
set
 
of
 
data
 D
 
 based
 
on
 
minimizing
 
the
 
sum
 
of
 
squared
 
errors.
 
In
 
general,
 
we
 
learn
 
the
 
neural
 
functions
 
 by
 
suggesting
 
an
 
approximation
 
to
 
each
 
of
 
the
 
functions,
 
for
 
example,
 
a
 
neural
 
function
 
can
 
 be
 
approximated
 
using
 
a
 
set
 
of
 
known
 
linearly
 
independent
 
family
 
1 2
{ }
s
s s sm
 
 ,
 
for
 
all
 
s
 ,
 
that
 
is,
 
1
( ) ( ) for all
s
ms si sii
g x a x s
 
 
where
 
the
 
coefficient
 
si
a
 
are
 
the
 
parameters
 
of
 
the
 
FNs.
 
Examples
 
of
 
 
are:
 
Polynomial
 
Family:
 
2
{1 }
m
 X X
   
 ,
 
or
 
Fourier
 
Family
{1 ( ) ( ) ( ) ( )}
l l
Cos X Sin X Cos X Sin
 ,
 
where
 
2
m l
 ,
 
or
 
Exponential
 
Family:
 2 2
{1 }
 X X X X mX mX 
e e e e e e
 
 ,
 
where
 
m
 
is
 
the
 
number
 
of
 
elements
 
in
 
the
 
family.
 
The
 
parameters
 
can
 
 be
 
learned
 
using
 
optimization
 
methods.
 
6.
 
Network
 
model
 
validation
:
 
After
 
the
 
learning
 
algorithm
 
process
 
is
 
done,
 
it
 
is
 
essential
 
to
 
do
 
the
 
test
 
for
 
quality
 
of
 
the
 
functional
 
network
 
model,
 
to
 
assess
 
its
 
performance
 
and
 
to
 
see
 
whether
 
or
 
not
 
the
 
selected
 
family
 
of
 
approximating
 
functions
 
are
 
suitable.
 
7.
 
Use
 
of
 
the
 
FN
 
model
:
 
Once
 
the
 
FN
 
model
 
has
 
 been
 

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