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,
K
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
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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
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 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
[ ( ) ( )] [ ( ) ( )] for
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 k k
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 nuT u nu n u n nn u
a … a b b … b… …a … 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 … X
,
or
‐
Fourier
Family
{1 ( ) ( ) ( ) ( )}
l l
Cos X Sin X … Cos X Sin X
,
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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