A gradient-based sequential radial basis function neural network modeling method
Transcript of A gradient-based sequential radial basis function neural network modeling method
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ISNN 2008
A gradient-based sequential radial basis function neural networkmodeling method
Wen Yao Æ Xiaoqian Chen Æ Wencai Luo
Received: 20 July 2008 / Accepted: 12 February 2009 / Published online: 5 March 2009
� Springer-Verlag London Limited 2009
Abstract Radial basis function neural network (RBFNN)
is widely used in nonlinear function approximation. One of
the key issues in RBFNN modeling is to improve the
approximation ability with samples as few as possible, so
as to limit the network’s complexity. To solve this prob-
lem, a gradient-based sequential RBFNN modeling method
is proposed. This method can utilize the gradient infor-
mation of the present model to expand the sample set and
refine the model sequentially, so as to improve the
approximation accuracy effectively. Two mathematical
examples and one practical problem are tested to verify the
efficiency of this method.
Keywords RBFNN � Sequential modeling � Gradient
1 Introduction
In multidisciplinary design optimization (MDO) of com-
plex system, it is very time-consuming to run a simulation,
or very expensive to conduct an experiment. Especially in
reliability or robust design considering the uncertainties in
realistic world, it even needs much more simulation time to
estimate the uncertain characteristics of the system. An
effective method to solve this problem is to use an
approximate model as a simple and inexpensive replace-
ment of the high fidelity model in the design and
optimization process. The approximate model is also called
metamodel, which means model of the model. There are
various types of metamodels, including response surface
model (regression polynomial), adaptive regression spline,
kriging model and radial basis function neural network
(RBFNN) model, etc. RBFNN is an interpolation approx-
imation method, which can fit all the sample data exactly,
and has been shown to be suitable in approximating high
nonlinear functions [1]. So in recent research, RBFNN has
been widely studied and used in approximation application.
The accuracy of an RBFNN model depends on the
selected basis function as well as the sample data [2]. The
most commonly used basis functions are linear, thin-plate
spline, Gaussian, and multiquadric functions. With appro-
priate basis function and sufficient sample data, RBFNN
can infinitely approximate a highly nonlinear response to
any degree of accuracy. Researchers have developed new
basis functions such as compactly supported basis func-
tions to produce positive definite interpolation matrix [3,
4], and augment the classical radial basis functions with
polynomial terms to improve the capability in modeling the
constant and higher order nonlinear functions. Another
efficient method to improve the approximation quality is to
increase the number of samples, which is directly relative
to the number of neurons in hidden layer of the network.
But in traditional approximation methods, the approxima-
tion modeling is carried out in one step, which samples all
the data at one time and constructs the approximation
model. It is very difficult to define the sample number
reasonably. If a large sample set is chosen for accuracy, the
network would be extremely complicated and the calcu-
lation efficiency would be influenced with a big number of
This article was originally presented in the fifth International
Symposium on Neural Networks.
W. Yao (&) � X. Chen � W. Luo
Multidisciplinary Aerospace Design Optimization Research
Center, College of Aerospace and Material Engineering,
National University of Defense Technology,
410073 Changsha, China
e-mail: [email protected]
123
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DOI 10.1007/s00521-009-0249-z
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hidden layer neurons. Orthogonal least-square (OLS)
method has been developed to select the appropriate subset
of the whole samples to constitute the hidden layer neurons
so as to reduce the size of the network [5]. But it is very
hard to design the first whole set of experiment sample
data, which directly affects approximation accuracy. And
for a large set of initial sample data, it needs very long time
to complete this process. Some researchers proposed using
support vector machine (SVM) learning method to obtain a
good initial structure and parameters of RBFNN model,
and then using other methods, such as BP algorithm, to
improve the net [6]. But the initial sample set is difficult to
select and the SVM learning process is very complex with
many variables and large sample set. In recent years,
researchers proposed using sequential design method to
model highly nonlinear responses with limited number of
samples, which has been widely studied and used in
engineering design and optimization [7, 8]. There are
several sequential sampling strategies, such as progressive
lattice sampling, maximum entropy design strategy, cross
validation strategy, maximum scaled distance approach,
etc. [9, 10]. These methods can add data which have the
maximum expected information or can fill the space uni-
formly. But in some cases, part regions of the space are
highly nonlinear, while other parts are quite flat, so it is
much more feasible to allocate more points in those highly
nonlinear regions to obtain system characteristics rather
than distribute the samples all over the design space uni-
formly. Based on this point of view, a gradient-based
sequential RBFNN modeling method is proposed in this
paper. In the sequential modeling process, it selects the
future samples which have the maximum expected gradient
in present approximation model and refresh the model with
these data, so as to improve the accuracy of the model,
especially in the highly nonlinear areas. To still keep a
comprehensive understanding of the whole design space, a
sequential grouping design method based on optimum
Latin hypercube design (LHD) of experiment [11, 12] is
adopted, which can add data uniformly distributed in the
space to the sample set sequentially along with the points
having maximum expected gradient. By this sequential
modeling method, samples can be added step by step until
the metamodel meets the accuracy requirement, so as to
construct the approximation model with minimum sample
number, and control the complexity of the RBFNN to an
acceptable degree.
2 RBFNN model
In classical RBFNN model, the interpolation surface is
defined as a linear combination of radial functions.
yi ¼ siðxÞ ¼XN
k¼1
wik/ðx; ckÞ ¼XN
k¼1
wik/ x� ckk k2
� �;
i ¼ 1; 2; . . .;m
ð1Þ
/ is radial basis function of the distance x� ckk k2 from
the kth basis function center ck, and wik is output layer
weight. m is the number of system outputs. The center ck is
the sample point xk. N is the number of hidden layer
neurons, and also is the number of sample data points with
known function values fi(xk) such that
siðxkÞ ¼ fiðxkÞ ð2Þ
The Euclidean norm x� ckk k2 represents the radial
distance r between the point x and the center ck. It is
defined as
rðx; ckÞ ¼ x� ckk k2¼ ðXndv
i¼1
ðxi � cikÞ
2Þ12 ð3Þ
ndv is the number of design variables. For the sake of
convenience in discussion, assume that m = 1, implying
that the output weights wik constitute a vector
w ¼ ½w1;w2; . . .;wN �T , and the accurate responses of the
samples constitute a vector F ¼ ½f ðx1Þ; f ðx2Þ; . . .; f ðxNÞ�T ,
and the network outputs of the samples constitute a vector
S ¼ ½sðx1Þ; sðx2Þ; . . .; sðxNÞ�T . The unknown interpolation
coefficients w can be defined by minimizing the function
JðwÞ ¼ 1
2
XN
k¼1
ðf ðxkÞ � sðxkÞÞ2 ð4Þ
Considering (2), the minimization equation in matrix
form can be written as
Uw ¼ F ð5Þ
U ¼
/ðx1; c1Þ /ðx1; c2Þ � � � /ðx1; cNÞ/ðx2; c1Þ /ðx2; c2Þ � � � /ðx2; cNÞ
..
. ... ..
. ...
/ðxN ; c1Þ /ðxN ; c2Þ � � � /ðxN ; cNÞ
2
6664
3
7775 ð6Þ
From (5) and (6) we can see that the RBF centers are
fixed and the weight vector can be calculated directly from
the system of linear equations, so there is no need to
conduct complex iterative procedure to select the RBF
centers and calculate the weight vector, which may result
in complex convergence problem.
For an unknown point x in the space, the expected
response is
yðxÞ ¼ sðxÞ ¼XN
k¼1
wk/ðx; ckÞ ð7Þ
In this paper, the Gaussian basis function is discussed,
which is defined as
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/ðrÞ ¼ expð� r2
r2Þ ð8Þ
So the expected first order partial derivative of the
unknown point can be obtained by differentiating (7) as
y0xiðxÞ ¼ s0xi
ðxÞ ¼ os
oxi¼XN
k¼1
wko/ðrÞ
or� or
oxið9Þ
The gradient at x is
grad s ¼ rs ¼ ½ os
ox1
;os
ox2
; � � � ; os
oxndv
�T ð10Þ
y0ðxÞk k2¼ rsk k2¼Xndv
i¼1
os
oxi
� �2 !1
2
ð11Þ
3 The gradient-based sequential RBFNN modeling
method
Based on the RBFNN model introduced above, we can get
estimated system response and gradient information at any
point of the space through the approximation model.
Although the metamodel can hardly completely fit the
accurate model, especially when the sample data set is not
large and the information about the target system is not
sufficient, it can still represent the trend in the design space of
the true model to some extent. So utilizing information from
the present model to add data to the sample set and to rebuild
the model purposively is a more effective way to improve the
model quality than just expanding the samples randomly and
blindly. In this paper, we consider the gradient distribution as
the information we care for, as it can identify the high non-
linear region and offer information for optimization.
To begin the sequential modeling process, an initial data
set should be firstly constructed and the model be initial-
ized. To ensure good approximation qualities of the model
all over the space, a comprehensive understanding of the
space should be obtained through a space filling and uni-
formly distributed experiment design. There are many such
kind experiment design methods, such as optimum LHD,
full-factorial design method, orthogonal array sampling,
etc. The method should be selected according to the spe-
cific approximation problem.
During the sequential modeling process, every time a
model is built, a set of nval validation points are selected to
verify the accuracy of the model. The root mean square
error (RMSE) is chosen as the criteria to judge the accuracy
of the approximation model. It is defined as
RMSE ¼
ffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiPnval
i¼1
f ðxiÞ � sðxiÞð Þ2
nval
vuuutð12Þ
If the RMSE does not meet the required accuracy, the
gradient of the validation points are calculated. The points
with maximum gradient are selected to add to the sample
set and the model is rebuilt. In this way, more information
of the regions around the points with expected sharp
gradient can be obtained and the accuracy in these regions
can be improved.
Along with the process of refining the high nonlinear
regions, the accuracy of the model all over the space should
be maintained. So samples should also be augmented with
data filling the space. This part of adding data is accom-
plished by the method of sequential grouping design strategy
based on optimum LHD of experiment. In this method, an
optimum LHD is conducted firstly to construct the initial
uniformly distributed sample data filling the design space.
Then these points are divided uniformly and randomly into
groups with equal number of samples. Each group can be
added to the sample set according to certain strategy. In this
gradient-based sequential RBFNN modeling method, we
define that when there is no improvement of accuracy by
adding points with maximum expected gradient, a group of
these space filling data is added to the sample set.
Based on these sequential design strategies, the
sequential RBFNN modeling can be carried out in accor-
dance with the flowchart depicted in Fig. 1.
4 Tests
This section describes three tests of the gradient-based
sequential RBFNN modeling method, including one 1-
dimensional example, one 2-dimensional example, and one
5-dimensional practical approximation problem.
4.1 Test 1: Quasi_sinusoidal function
The n-dimensional quasi_sinusoidal [13] function is
defined as
f ðxÞ ¼Xm
i¼1
½0:3þ sinð16xi=15� eÞ þ sin2ð16xi=15� eÞ� e
¼ 0:7; xi 2 �1; 2½ � ð13Þ
For one dimension problem we set m = 1. For this
simple example, we set the required RMSE value to be
0.01. The initial sample set is constructed by four
uniformly distributed points and the initial model is built.
Then a point with maximum gradient is added into the
sample set during each iteration. The validation data are 15
uniformly distributed points within the design space. After
three iterations, the RMSE of the model meet the preset
requirement. The sequential modeling process is shown in
Fig. 2. In the figure, the circle represents the sample data.
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To illustrate the efficiency of this gradient-based
sequential modeling method, a sequential modeling method
without adding gradient information during the iteration
process is used to compare the results. In this no gradient
sequential modeling method, the model is built and the
accuracy of the model is checked. If it doesn’t meet the
requirement, the next group of data designed by optimum
LHD is added into the sampling set, and the model is rebuilt.
The only difference between this method and the gradient-
based sequential modeling method is that there is no gradient
information analysis in this one, and sample set is augmented
randomly and uniformly only according to the optimum
LHD design. The modeling result is shown in Fig. 3.
In Fig. 2, it takes three iterations and 6 points to get the
required accuracy, while in Fig. 3 it takes five iterations
and 12 points to meet the accuracy requirement. It also can
be seen clearly in Fig. 2 that the sample set augmented
with points that lie in region of great gradient, which can
improve the metamodel quality in these areas purposefully,
while in Fig. 3 the sample set is expanded randomly, which
influences the modeling efficiency greatly.
To further demonstrate the performance of this proposed
sequential sampling method, it is also compared with other
two most widely used sequential sampling strategies in RBF
modeling, including maximum entropy strategy and cross
validation strategy. Approximation accuracy (RMSE),
sample set number and modeling time are chosen to be
comparison indexes. The results are listed in Table 1. From
the table we can see that all these three indexes are quite
similar, only that the proposed method has a very narrow
advantage margin in modeling time, as the gradient pre-
diction equation is quite simple, while entropy calculation is
complex and cross validation needs building leave-one-out
models and the procedure is lengthy and time-consuming.
4.2 Test 2: Akley function
The 2-dimensional Akley function is defined as
f ðx1; x2Þ ¼ 20� 20 expð�0:2ffiffiffiffiffiffiffiffiffiffiffiffiffiffix2
1 þ x22
qÞ
� expcosð2px1Þ þ cosð2px2Þ
2
� �
x1; x2 2 ½�5; 30�
ð14Þ
Fig. 1 Gradient-based sequential RBFNN modeling flowchart
Fig. 2 Gradient-based
sequential RBFNN modeling of
test one. a Accurate function
curve. b Iteration one.
c Iteration two. d Iteration three.
e RMSE iteration history
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We set the required RMSE value to be 0.5. The initial
sample set is constructed by 16 uniformly distributed
points designed by full-factorial design method and the
initial model is built. Then five points with maximum
gradient are added into the sample set during each iteration.
The validation data are 100 uniformly distributed points
within the design space designed by full-factorial design
method. After two iterations, the RMSE of the model meet
the preset requirement. The sequential modeling process is
shown in Fig. 4. In the figure, the square represents the
sample data. The no gradient sequential modeling method
is also used to approximate the function. The initial sample
set, LHD sample data and grouping are the same with the
data used in the gradient-based method. In Fig. 4 it takes
two iteration and 19 points to meet the accuracy
requirement, while in Fig. 5 it takes nine iterations and
96 points to obtain a model without meeting the accuracy
requirement.
Because of the uncertain and random characteristic of
the LHD, we run several times with the no gradient
method. The results show that it can achieve good effect in
some cases, but the probability is small. So the modeling
capability is not robust merely by adding uniformly dis-
tributed space filling data randomly.
The proposed sequential sampling method is also com-
pared with maximum entropy strategy and cross validation
strategy in this test. The results are listed in Table 2. It is
clearly shown in the table that the gradient-based method
has the best performance in all of the three indexes. From
Fig. 6 we can see that the distribution of Akley function
is quite irregular. It has a very sharp region in
½�10; 0� � ½�10; 0�, while other parts are relatively flat. So
with little more samples added in this sharp part, the
accuracy of the model can be greatly improved. So adding
samples with great gradient sequentially can obtain good
approximation quality. The maximum entropy method
tends to add samples which are far away from the existing
samples, so this method can’t obtain sufficient information
in the sharp region and the approximation accuracy is not
good. The cross validation method utilizes the leave-one-
out model to estimate the model prediction error. The
maximum predicted error data points it identifies not only
distribute in the sharp region, but also in other flat regions,
so the modeling efficiency is affected. This is why gradi-
ent-based method can achieve good performance with
much less samples and modeling time in this test.
4.3 Test 3: Satellite system design approximation
problem
To demonstrate the validity of the gradient-based sequen-
tial RBFNN modeling method in practical engineering
applications, the proposed method is tested in a satellite
system design approximation problem.
In satellite conceptual system design, satellite weight is
an important index in scheme design decision-making. The
calculation of weight consists of several coupled disci-
plines, such as structure, propulsion and power, etc., and
the calculation is very complex and time-consuming. So in
system sensitive analysis and design optimization, it is
more preferable to use approximation model instead of
accurate weight calculation model. We choose a virtual
earth observation satellite as the discussion object. The
disciplinary models of the satellite to calculate weight can
Fig. 3 No gradient sequential
RBFNN modeling of test one.
a Iteration one. b Iteration two.
c Iteration three. d Iteration
four. e Iteration five. f RMSE
iteration history
Table 1 Comparison of different adding data strategies in test one
Strategy Sample
number
RMSE Modeling
time (s)
Gradient 6 0.006 1
Entropy 6 0.007 2
Cross-validation 7 0.006 2
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be referenced in [11]. In the model there are five design
variables, including orbit altitude, camera focus, satellite
body length, width and height. The satellite weight is the
output of the model. We utilize the proposed method to
construct the approximation model of weight in respect to
the five design variables. In the design space, the weight
output is mostly distributed between 1,000 and 2,000 kg,
so we set the required RMSE value to be 50 kg. The initial
sample set is constructed by 60 uniformly distributed
points designed by optimum LHD and the initial model is
built. Then ten points with maximum gradient are added
into the sample set during each iteration. The validation
data are 100 uniformly distributed points within the design
space designed by optimum LHD. After four iterations, the
RMSE of the model meet the preset requirement. The
sequential modeling process is shown in Fig. 7 depicted by
the line with triangle marks. To demonstrate the efficiency
of the proposed method, we compare it with approximation
models constructed with uniformly and randomly space
filling data obtained from optimum LHD. The sample data
number ranges from 60 to 150, with interval of 10. The
result is shown in Fig. 7 depicted by the line with square
marks. From the figure we can see that using the proposed
method the approximation model RMSE falls down to
39.83 only with four iterations, and the final sample data
number is 100. By uniformly sampling data in the design
space, it needs 120 samples to reduce RMSE to 48.49 and
140 samples to reduce RMSE to 34.07. It is obvious that
Fig. 4 Gradient-based
sequential RBFNN modeling
of test two. a Iteration one.
b Iteration two. c RMSE
iteration history
Fig. 5 No gradient sequential
RBFNN modeling of test two.
a Iteration one. b Iteration three.
c Iteration five.d Iteration seven.
e Iteration nine. f RMSE
iteration history
Table 2 Comparison of different adding data strategies in test two
Strategy Sample
number
RMSE Modeling
time (s)
Gradient 19 0.283 21
Entropy 48 1.245 62
Cross-validation 23 0.365 31
Fig. 6 Akley function
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the proposed method is efficient in improving the approx-
imation model accuracy with fewer samples, which can
directly reduce the calculation burden.
5 Conclusion
In this paper the RBFNN modeling method is discussed. To
construct the model with required accuracy and limited
samples, a gradient-based sequential RBFNN modeling
method is proposed. This method has following merits:
1. It builds the metamodel sequentially. During each
iteration process, several new points are added to the
sample set to rebuild the model. So we can use a small
set to initiate the RBFNN, and then refine the model
step by step until it meets the accuracy requirement. In
this way, we can avoid the difficulty in defining the
initial sample size and data in one-step modeling
method, and meanwhile minimize the sample number.
2. In the process of rebuilding the model, the gradient
information of the present model is analyzed firstly. By
adding the points with maximum expected gradient to
the sample set, the information in the highly nonlinear
regions can be integrated into the new model, and the
approximation accuracy in these areas can be
improved purposefully.
3. By adding groups of uniformly and randomly space
filling data obtained from optimum LHD according to
certain strategy (when it can’t improve the accuracy of
the model by merely adding expected gradient infor-
mation, add these groups of data), a comprehensive
understanding of the whole design space can be
maintained, and the accuracy of the model all over
the space can be improved.
4. In combination of adding data with maximum gradient
information and data uniformly and randomly filling
the design space, it can reduce the impact of random
and uncertain characteristics of LHD on metamodel-
ing, so as to make the sequential modeling process
more stable and robust. With growing number of
sample data, the RBFNN model can continuously
improve its accuracy until it meets the preset require-
ment, and the convergence rate is fast based on the
sample set augmentation strategy. The calculation of
predicted gradient and operation of adding data
sequentially are very simple, so it is easy to implement
and apply this method.
In the test section, two mathematical problems are used to
examine the proposed method. In every test problem, the
models achieved by this method are compared with those
achieved by the sequential modeling method without adding
gradient information during the modeling process. The
results show that this gradient-based method is more effi-
cient than the other one. Especially under the uncertainty
affection of LHD, it can achieve good approximation model
with much higher probability than the other one. The pro-
posed method is also compared with two widely used
sequential sampling strategies in the tests. The results
demonstrate that the proposed method has comparable
approximation ability with the classical ones. Especially in
test two, it is obvious that the new method has great
advantages in modeling irregular distributed functions. In
test three, the proposed method is applied in a practical
problem, which is to approximate the satellite total weight
function in respect to a design vector of five variables in
satellite conceptual system design. The model achieved by
the proposed method is compared with the model con-
structed with data by optimum LHD. The result shows that
the proposed method can meet the preset accuracy require-
ment with much less samples, which can greatly reduce the
modeling time and calculation burden. So the test results
prove that this gradient-based sequential RBFNN modeling
method is efficient and feasible. Future research of this
method should be conducted in high dimension problems.
The gradient analysis method and gradient-based sample set
augmentation strategy should be further studied.
Because of the good capability of this approximation
method in modeling high nonlinear functions, it can be
applied in engineering design and optimization, especially
in the uncertainty MDO of complex system, such as satellite
system design and other spacecraft, etc., so as to decrease the
calculation burden and enhance optimization efficiency.
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Fig. 7 Comparison between proposed method and uniformly sam-
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