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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 INTRODUCTION
M
ATERIAL properties are very important in most learning precision while experimental data is expensive
Mechanical Engineering computations. to obtain and are not readily available for new material
Determining the relationship between the design.
structure of a material and its properties has been a Recently, Functional Networks have been proposed as a
common concern for material scientists and engineers new intelligence framework for both prediction and
[2]. Experimental procedures are usually required to classification. It is a generalization of the traditional
determine this relationship. However, with the advent
neural networks, instead of the sigmoid‐like models, it
of predictive algorithms, new approaches for estimating
deals with general functional models. In functional
these material properties become available, making it
more convenient to statistically determine this networks the functions associated with the neurons are
relationship. The main contribution of this work is to the not fixed but are learnt from the available data and have
field of material science, since for Materials Scientists the ability to achieve good generalization in the face of
and Engineers alike, a universal concern is the scarce data [4]. In this work, a functional networks (FN)
determination of the relationship between the structure model has been developed and used to predict the
of a material and its properties. Obviously, the ability to tensile strength of gray cast iron based on five input
predict the properties of materials prior to their features namely: the carbon equivalent, the graphite
synthesis and processing would be of tremendous value
flake size, the micro‐hardness of the matrix, the amount
in optimizing the end products [2]. Numerous
of austenite dendrite and the eutectic cell count. We
algorithms and approaches have been employed earlier
to estimate these material properties. These algorithms applied functional network model to forecast the
include State of Equations, Statistical Regression, and relationship between material structure and properties
Neural Networks modeling schemes. Unfortunately, and compared our results with the performance of other
adoption of these earlier approaches is confronted by earlier used approaches for predicting strength of
two challenges; accuracy is often limited giving rise to materials, like Fuzzy Neural Networks, Multiple Linear
poor generalization problem due to the requirement of Regression, Generalized Regression Neural Network,
large amount of training data in order to acquire high and Fuzzy Regression. Comparative results show that
functional networks performed better in relation to
————————————————
these other approaches. Additionally, it was also
S.O. Olatunji is a PhD candidate at the Faculty of Computer Science and
Information Systems, Universiti Teknologi Malaysia confirmed that functional networks are easier and
Akeem Olowolayemo is with the Intelligent Environment Research Group, quicker to train thereby are useful tools as an alternative
K ICT, International Islamic University Malaysia.
Imran A. Adeleke Imran Adeleke is a PhD candidate at the Department of to the traditional artificial neural networks.
information Systems, Faculty of Computer Science and Information
Systems, Universiti Teknologi Malaysia
© 2010 Journal of Computing Press, NY, USA, ISSN 2151-9617
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{f 1 () p1 () q1 ()} and, {f 2 () p 2 () q 2 ()} such that 5. Learning Algorithm: Once the structure of the
functional network is known in Step 2, the neural
they give the same output for the same input, that is, 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
f 11[ p1(x ) q1( y )] f 21[ p2 (x ) q2 ( y )] for x y R 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
the general solution of which is f 2 ( x ) c f 1 ( x ) . neural function can be approximated using a set of
This means that c is not identifiable and one extra known linearly independent family
condition is required. For example, force f ( x ) y
to have uniqueness. The following theorem is necessary
in checking the uniqueness of a functional network: {s1s 2…sms }, for all s , that is,
Theorem 1 [Castillo and Ruiz‐Cobo (1992) [10], p. 52)]:
ms
All
n
solutions of the functional equation
g s (x ) a
i 1
si si ( x ) for all s
f
k 1
k (x ) g k ( y ) 0 can be written as:
where the coefficient asi are the parameters of the FNs.
Examples of are:
f 1 (x ) 1 (x ) g1( y ) u 1 ( y )
A B
‐ Polynomial Family: {1 X X 2 … X m } ,
f (x ) (x ) g (y ) (y )
n u n n or
‐ Fourier
Family
where 0 u n is an integer; {1 (x )… u (x )}
{1Cos (X ) Sin (X ) …Cos l (X ) Sin l (X )}
and { u 1 ( y )… … n ( y )} are two arbitrary
, where m 2l , or
systems of mutually linearly independent functions; ‐ Exponential
Family: {1 e X e X e 2 X e 2 X … e mX e mX }
A aki nu , and ,
where m is the number of elements in the family.
B bkj The parameters can be learned using optimization
n(n u ) methods.
6. Network model validation: After the learning
algorithm process is done, it is essential to do the test for
are constant matrices with 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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satisfactorily validated, it is ready to be used for the external validation phase (testing result). It could be
actual purpose of prediction, which form the core of this easily observed that functional network based
work. Further details on FN can be found in [10, 12‐18]. intelligence modeling scheme outperforms others,
particularly during the testing phase, which is the main
determinant of a good model.
3 EMPIRICAL WORK, DISCUSSION AND
COMPARATIVE STUDIES From the tables presented, it could be easily observed,
In order to carry out empirical study, the experimental most importantly for the testing result (external
data set used in [2] was utilized in this research. validation, functional network model has the highest
correlation coefficient, R2 = 0.97, and the smallest root
The data contains the carbon equivalent (%), the mean squared error, RMSE=21.96 while fuzzy neural
graphite flake size (μm‐1 x 103), the micro hardness of network is below functional network scheme with R2
the matrix (MPa x103), the amount of austenite dendrite =0.95, RMSE=374.28. The other techniques also indicate
(%) and the eutectic cell count (104 x m‐2) as input lower performance compared to functional network, as,
features, and the tensile strength (MPa) as the generalized regression neural network has R2=0.86,
dependent variable (output data). RMSE=1533.85, fuzzy regression has R2=0.81, RMSE=
1223.19, and multiple linear regression has R2=0.84,
3.1 Implementation Process TABLE 2
To evaluate performance of each modeling scheme, the PERFORMANCE MEASURE FOR TESTING SET
entire database is divided using the stratified sampling
approach. 70% of the data were used for training and MLR FR GRNN FNN FN
building the functional network model (internal
validation) and remaining 30% reserved for Root MSE 1043.2 1223.2 1533.85 374.28 21.96
testing/validation (external validation or cross‐
Correlation 0.84 0.81 0.86 0.95 0.97
validation criterion). For testing and evaluation of the
R2
newly developed framework, and to carry out effective
comparative studies viz‐a‐viz other earlier methods, the
MLR=multiple linear regression, FR=fuzzy regression,
two most common statistical quality measures that are
GRNN=generalized regression neural network, FNN=fuzzy
utilized in both data mining and machine learning
neural networks, FN=functional networks
journals were employed in this study. These are root
RMSE= 1043.21.
mean squared error (RMSE) and correlation coefficient
From these, it became clearer that functional network
(R2). The training set is used to build the model while
performed excellently better with a 2.1% improvement
the testing set is used to evaluate the predictive
over the best among the other models, and 15.5% over
capability of the model. MATLAB 2008b has been
the least among the other models in terms of correlation
employed in implementing the model, with polynomial
coefficient. While in terms of root mean square error,
function of degree 2 being used as the approximation
functional network model has 94.1% improvement over
function of choice. The obtained results throughout the
the best among the other models and 98.6% over the
entire process are presented shortly in following tables.
least among the other models. These clearly points to the
3.2 Discussion and Comparative Studies superior performance of functional networks in
The results of comparisons, between the newly predicting material properties.
proposed functional network and the three earlier used
methods, namely Fuzzy Neural Networks, Multiple IV CONCLUSION AND RECOMMENDATION
Linear Regression, Generalized Regression Neural
In this study, published data set have been used in
Network, and Fuzzy Regression, using both internal and
investigating the feasibility, performance, and accuracy
external validation check were summarized in Tables 1
of the proposed functional network based modeling
and 2. A good forecasting scheme should have the
scheme as a new framework for predicting the material
highest correlation coefficient (R2), and the lowest root
properties. The following conclusions and
mean squared error (RMSE) particularly during the
recommendations could be drawn based on previous
TABLE 1: analysis, discussions, deep investigation, experiments,
PERFORMANCE MEASURE FOR TRAINING SET and comparative studies in this work.
A new computational intelligence modeling scheme,
MLR FR GRNN FNN FN based on the Functional network has been investigated,
developed and implemented, as an efficient and more
Root MSE 685.08 810.04 21.42 76.68 26.90 accurate predictive solution for predicting material
properties (strength of materials). Validation of the
Correlation 0.83 0.80 0.99 0.98 0.92 framework is done using published real industrial data.
R2 In‐depth comparative studies have been carried out
between this new framework and Fuzzy Neural
MLR=multiple linear regression, FR=fuzzy regression,
Networks, Multiple Linear Regression, Generalized
GRNN=generalized regression neural network, FNN=fuzzy
neural networks, FN=functional networks
106
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Regression Neural Network, and Fuzzy. Empirical Neural Based Paradigm, Kluwer Academic Publishers: New
results from simulations show that the proposed model York.
outperformed all the compared models in all fronts. 12. Castillo E. and Gutiérrez J. M., (1998), “A Comparison of
Considering the fact that results presented in this Functional Networks and Neural Networks,ʺ In Proceedings
work were obtained with only the simplest structures of of the IASTED International Conference on Artificial
functional networks, it is possible that a more detailed Intelligence and Soft Computing, IASTED/ACTA press, 439–
442.
study with more complex forms of the model will
13. Castillo E. and Gutiérrez J. M., (1998), “Nonlinear Time Series
improve even further on these results, then, as a form of
Modeling and Prediction Using Functional Networks,ʺ
future work recommendations, we recommend that the Extracting Information Masked by Chaos Physics Letters A,
use of functional networks in other important modeling Vol , 71–84.
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Transactions Neural Networks, vol.18, no. 2, March 2007. a lecturer of computer science, and authored several research
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7. Fan Zhikang and Huang Huisong, (1991). Application of Akeem Olowolayemo, is a Research Assistant at the Intelligent
fuzzy regression in improving the structure of grey cast iron Environment Research Group (INTEG), KICT, International Islamic
with high carbon equivalent, Foundry 12 (1991) 9–13 (in University Malaysia. He holds a B.Sc. (Hons) Degree in Computer
Science, from Obafemi Awolowo University Ile‐Ife, Nigeria (2000),
Chinese).
a Masters (MIT) Degree in Information Systems, from International
8. Yao R.B., C.X. Tang, G.X. Sun, Predicting gray cast iron
Islamic University Malaysia and currently pursuing a PhD (IT) in
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10. Castillo E. and Ruiz‐Cobo R., (1992), Functional Equations Department of information Systems, Faculty of Computer Science
and Modeling in Science and Engineering, Marcel Dekker and Information Systems, Universiti Teknologi Malaysia. He
received his MSc and BSc in Computer Science at University of
New York. Agriculture, Abeokuta and University of Benin, Benin‐city, Nigeria
11. Castillo E., Cobo A., Gutiérrez J. M. and Pruneda E., (1998), respectively. He is a member of AIS and ACM.
Introduction to Functional Networks with Applications, A