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art ic l e i nf o a b s t r a c t
Article history: This paper presents a novel constrained integration (CINT) method for solving initial boundary value
Received 1 July 2013 partial differential equations (PDEs). The CINT method combines classical Galerkin methods with a
Received in revised form constrained backpropogation training approach to obtain an artificial neural network representation of
30 July 2014
the PDE solution that approximately satisfies the boundary conditions at every integration step. The
Accepted 30 November 2014
advantage of CINT over existing methods is that it is readily applicable to solving PDEs on irregular
Communicated by R.W. Newcomb
Available online 10 December 2014 domains, and requires no special modification for domains with complex geometries. Furthermore, the
CINT method provides a semi-analytical solution that is infinitely differentiable. In this paper the CINT
Keywords: method is demonstrated on two hyperbolic and one parabolic initial boundary value problems with a
Neural networks
known analytical solutions that can be used for performance comparison. The numerical results show
Initial-boundary value problem
that, when compared to the most efficient finite element methods, the CINT method achieves significant
Galerkin methods
Spectral methods improvements both in terms of computational time and accuracy.
Partial differential equations & 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND
Irregular domains license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
1. Introduction error function. Initial and boundary conditions have been enforced
by adding a penalty term to the error function [6]. As with all
This paper presents a novel method for solving initial boundary penalty function methods [7], this approach can display slow
value partial differential equations (PDEs) using constrained inte- convergence and poor accuracy.
gration (CINT). The method, referred to as CINT, combines tradi- An alternate technique for enforcing boundary conditions is to
tional Galerkin methods with constrained backpropagation use a problem-specific ansatz that has been tailored to automati-
(CPROP) for artificial neural networks (ANNs) [1,2]. Several meth- cally satisfy the boundary condition, while also containing an ANN
ods have been proposed for using ANNs to provide a functional that is adjusted to satisfy the PDE. This approach has been shown
representation of numerical solutions to PDEs. One of the advan- to solve boundary value problems (BVPs) to a high degree of
tages of representing numerical PDE solutions by ANNs is that the accuracy [8–10]. However, slow convergence in the iterative
ANN solution provides a closed-form representation of the solu- training of network weights has been observed in this and other
tion that is infinitely differentiable. Additionally, the ANN solution ANN based methods. For example, hundreds [5,10] or thousands
is represented by a small number of adjustable parameters that [6,11] of training iterations may be needed to converge to the
can be modified by incremental training algorithms [3], which levels of accuracy obtainable by FE or FD methods.
require less memory than methods such as finite difference (FD) or One approach that has been used to overcome slow conver-
finite element (FE) [4,5]. Also, unlike FD or FE tabular solutions, the
gence is to combine ANNs with Galerkin methods to train the
ANN solution is valid over the entire domain, eliminating the need
network output weights. In [12] the ANN output weights were
for interpolation.
found using an inner product rather than a more traditional
Numerous methods have been proposed to solve PDEs using
training method, such as backpropogation, genetic algorithm, or
ANNs. One approach is to formulate an error function by applying
particle swarm optimization [13,14]. A similar approach was used
the differential operator to the ANN and evaluating the resulting
in [15,16] to solve the Hamilton–Jacobi–Bellman (HJB) equation,
function at collocation points within the domain. Incremental
training of the network weights is then used to minimize the and in [17] to analyze bifurcations of a cellular nonlinear network.
In these cases, the ANN output weights were treated as functions
of time and an inner product was used to transform the PDEs into
n
Corresponding author. Tel.: þ 1 919 660 5310. systems of ordinary differential equations (ODEs). The output
E-mail address: silvia.ferrari@duke.edu (S. Ferrari). weights were then found by integrating the resulting ODEs. Using
http://dx.doi.org/10.1016/j.neucom.2014.11.058
0925-2312/& 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
278 K. Rudd, S. Ferrari / Neurocomputing 155 (2015) 277–285
Galerkin methods for training ANNs has been shown to improve The CINT method requires that DðÞ be the Riemann integrable and
solution accuracy and computational time when compared to that BðÞ be linear. Consider the PDE:
traditional training methods [12,15,17]. However, one disadvan-
∂k uðx; tÞ
tage of continuous Galerkin methods is that PDEs solved over non- ¼ D½uðx; tÞ; x A Ω; t A ½t 0 ; t f Þ ð1Þ
∂t k
rectangular or irregular domains typically require a domain
transformation [18] or domain decomposition [19], which greatly subject to linear boundary conditions:
increase the difficulty of obtaining an approximate solution. A B½uðx; tÞ ¼ f ðx; tÞ; x A ∂Ω; t A ½t 0 ; t f Þ ð2Þ
smoothed boundary method was proposed in [20] to overcome
the difficulties associated with irregular domains for PDE problems and the initial (or terminal) condition(s):
with zero-flux boundary conditions. In smoothed boundary meth- ∂ℓ u
ods the domain is embedded into a box and a smoothing term is ðx; t 0 Þ ¼ g ℓ ðxÞ; ℓ ¼ 0; …; k 1; x A Ω; t A ½t 0 ; t f Þ: ð3Þ
∂t ℓ
used to encode the boundary conditions into a modified PDE that
In spectral methods, the PDE solution u is approximated by a
can then be solved using standard Galerkin methods.
finite sum of linearly independent basis functions. Let
This paper presents a novel CINT solution method that is
fψ 1 ðxÞ; …; ψ Q ðxÞg denote a set of linearly independent basis func-
broadly applicable to solving initial boundary value problems
tions that belong to a Hilbert space with corresponding output
(IBVPs) on irregular domains, without the need to perform a
weights fα1 ðtÞ; …; αQ ðtÞg. Fourier and Chebyshev polynomials are
domain transformation or decomposition, or modify the PDE as
commonly used bases thanks to the availability of the fast Fourier
done in [20]. The CINT method is applicable to problems with
transformation (FFT) [18]. Thus, it is assumed that the approximate
Dirichlet, Neumann, and/or Robin boundary conditions. Similarly
solution to (1)–(3) takes the form
to the inner product based methods in [15,17], the CINT method
Q
approximates the solution using a single-layer ANN with time- ^
uðx; tÞ ¼ ∑ ψ q ðxÞαq ðtÞ: ð4Þ
dependent output weights. But, while the methods in [15,17] do q
not directly address how boundary conditions are satisfied, the
Now, let the inner product of two functions pðxÞ; qðxÞ A L2 be
CINT method utilizes CPROP, a technique recently developed for
denoted by 〈pðxÞ; qðxÞ〉 and defined as
preserving prior knowledge in ANNs [21,22], to constrain the ANN Z
so as to satisfy the boundary conditions. 〈pðxÞ; qðxÞ〉 9 pðxÞqðxÞ dx: ð5Þ
In this paper, the CINT method is demonstrated on three well- Ω
known PDEs: the wave equation with Neumann boundary condi- Then, the approximate solution (4) is substituted into (1), and the
tions, the wave equation with Dirichlet boundary conditions, and inner-product (5) can be used to obtain the system of ODEs:
the heat/diffusion equation with Dirichlet boundary conditions. In
∂k αðtÞ
each problem, the performance of the CINT method is compared to A ¼ b½αðtÞ; ð6Þ
that of the MATLAB© FE PDE solver. The FE method was chosen for ∂t k
comparison because of its wide use and capability to be applied to where the matrix A A RQ Q and vector b½αðtÞ A RQ are defined as
problems with complex geometries [20]. The results show that Z
computation time required by the CINT method is about 20% less Aði;jÞ 9 〈ψ j ðxÞ; ψ i ðxÞ〉 ¼ ψ j ðxÞψ i ðxÞ dx; ð7Þ
Ω
than that required by the FE method for hyperbolic problems.
Z
Although the CINT method requires OðN log NÞ computations at
^ xÞ; ψ i ðxÞ〉 ¼
bðiÞ 9 〈D½uðt; ^
D½uðx; tÞψ i ðxÞ dx: ð8Þ
each time step, where N is the number of training or collocation Ω
points, the CINT method remains stable and accurate with an
The ODE initial conditions are given by
average time step between two and four times larger than the
average time step needed by the MATLAB© FE method. ∂ℓ α
A ðt 0 Þ ¼ q; ð9Þ
The following section provides a brief description of spectral ∂t ℓ
and Galerkin methods for IBVPs. The CINT method is presented in where
Section 3, and the numerical results and comparison with FE Z
methods are presented in Section 4. qðiÞ 9 〈g ℓ ðxÞ; ψ i ðxÞ〉 ¼ g ℓ ðxÞψ i ðxÞ dx: ð10Þ
Ω
The boundary conditions in (2) are enforced by performing
2. Background on Galerkin methods integration by parts on the right-hand side of (6), as shown in [28].
In practice, computing the right-hand side of (6) can be very
Galerkin methods belong to the class of numerical PDE solution expensive [29]. In particular, if D½uðx; ^ tÞ contains time-varying
methods known as spectral methods, which approximate the PDE coefficients or nonlinearities, a convolution of sums must be
solution using a linear combination of basis functions. Because of computed. To simplify the enforcement of the boundary condition
their efficiency and accuracy, they are routinely implemented in and to avoid computing convoluted sums, a pseudo-spectral
many applications of PDEs, including fluid dynamics, quantum method is often used. In pseudo-spectral methods, the PDE
mechanics, heat conduction, and weather prediction [23–27]. The solution is approximated at a set of collocation points in space
CINT method combines ANNs with Galerkin methods in order to and time, such that u^ i;j uðxi ; t j Þ. Then, at each time step, tj, the
solve a wide class of IBVPs that include parabolic and hyperbolic output weights αðt j Þ are obtained by transforming the approx-
type problems with Dirichlet, Neumann, and/or Robin boundary imate solution u^ i;j to the spectral domain. The spatial derivatives of
conditions. These PDE problems frequently arise in areas such as u^ i;j are then found by evaluating the partial derivatives of (4) at the
fluid mechanics, thermodynamics, and optimal control. This sec- collocation points, and computing the right-hand side of (1) at
tion presents a brief overview of spectral methods for IBVPs and every time step. The values of the approximate solution at
introduces key notation. Throughout this paper, bold lower-case collocation points on the boundary are then adjusted to satisfy
symbols represent vectors, and bold upper-case letters represent the boundary conditions in (2). This transformation can be
matrices. performed in OðN log NÞ time, using the FFT. However, when N is
Let DðÞ and BðÞ represent two spatial differential operators, large, the integration step size Δt is severely restricted [18]. Thus,
and let the solution of the IBVP be denoted by u : Ω ½t 0 ; t f Þ-R. another approach to simplifying the basis is to choose functions
K. Rudd, S. Ferrari / Neurocomputing 155 (2015) 277–285 279
that satisfy the boundary conditions at every time step. For zero at its center along the boundary, ∂Ω, and has a derivative
example, a Fourier series can be used for the special case in which normal to the boundary that is equal to one.
Ω is a rectangular domain and u is periodic on the boundary ∂Ω. The CINT transfer functions used to satisfy (1) are denoted by
fσ 1 ðxÞ; …; σ Q ðxÞg. Polynomials and Fourier functions were found to
work well for the IBVPs solved in Section 4. The ANN representa-
3. Constrained integration (CINT) method tion of the approximate solution of (1) can be written as
Q~ Q
This section presents the CINT method and its relationship with ^
uðx; tÞ ¼ ∑ σ~ q~ ðxÞα~ q~ ðtÞ þ ∑ σ q ðxÞαq ðtÞ
the classical Galerkin method is reviewed in Section 2. The q~ ¼ 1 q¼1
primary differences between CINT and Galerkin methods are ¼ σ~ ðxÞα~ ðtÞ þ σ ðxÞαðtÞ
T T
ð13Þ
how the boundary conditions (2) are enforced, and how the
integrals in (6)–(10) are approximated. The linear combination of and substituted into (2). Then the resulting equation is evaluated at a
basis functions (4) is similar in structure to a feed-forward ANN set of training or collocation points on the boundary, T B ¼
with a single hidden layer. Using this paradigm, the boundary fxk jxk A ∂Ωg. The boundary condition is approximately satisfied at
condition (2) is enforced in the CINT method using a modification these points provided
of the CPROP training approach for preserving prior knowledge in þ
α~ ðtÞ B~ fðtÞ BαðtÞ ; ð14Þ
ANNs [1,2]. CPROP consists of constraining incremental back-
propogation training algorithms to satisfy equality constraints by where the superscript “þ” denotes the right pseudo-inverse and,
partitioning the ANN such that one set of weights is adjusted to
B~ ði;jÞ ¼ B½σ~ j ðxÞx ¼ x ; ð15Þ
preserve prior knowledge, and another set of weights is adjusted i
where the shape parameter, γ, is a positive constant, and xi is a Rather than directly computing the inner product in (6), the con-
collocation point on the boundary and the center of the RBF. For strained approximate solution (18) is substituted into the PDE in (1),
PDE problems with a specified flux or the Neumann condition, the and evaluated at a set of training or collocation points within the
basis functions, σ~ i ðxÞ, are chosen to be sigmoidal functions of the domain, T I ¼ fxi j xi A Ωg, producing the following system of ODEs:
form:
( ) ∂k α
exp½ðx xi ÞT n^ i 1 M k ðtÞ ¼ ξ½αðtÞ ð19Þ
σ~ i ðxÞ ¼ exp½ γ ‖x xi ‖2 ; ð12Þ ∂t
exp½ðx xi ÞT n^ i þ 1
∂ℓ α
where n^ i is the unit vector normal to the boundary at xi : The M ℓ ð0Þ ¼ pℓ ð20Þ
∂t
transfer functions in (11) were chosen to enforce the Dirichlet
where
condition because they have local support and contribute little to
the derivatives of the solutions at the boundary, ∂Ω, since the Mði;jÞ 9 ψ j ðxi Þ; ð21Þ
derivative of (11) is near zero. Similarly, the transfer functions (12)
were chosen to satisfy the Neumann condition because (12) is near ∂k hðx; tÞ
ξðiÞ ½αðtÞ 9 D½uðx;
^ tÞ ð22Þ
∂t k x ¼ xi
∂ℓ hðxi ; tÞ
pℓðiÞ 9g ℓ ðxi Þ ℓ ð23Þ
∂t t0
as proven in Appendix A.
We are now ready to state the main theoretical result for the
CINT method:
^
Theorem 1. If D½uðx; tÞ is Lebesgue integrable, then the coefficients,
α, obtained by solving the Galerkin systems (6)–(10) approach those
obtained by solving (19) in the limit as N-1.
where the superscript “n” indicates the conjugate transpose. For two spatial dimensions. In the third IBVP, the CINT method is used
any element of the matrix Mn M, the following holds: to solve a linear, parabolic PDE, known as the heat/diffusion
N equation, in two spatial dimensions. In the first two problems,
ðMn MÞði;jÞ δx ¼ ∑ ψ j ðxn Þψ i ðxn Þ δx the CINT method outperforms the FE method both with respect to
n¼1
computational time and accuracy. For the parabolic heat/diffusion
N
¼ ∑ ψ j ðxn Þψ i ðxn Þ μðSn Þ: ð25Þ equation, the CINT and FE methods have similar performances.
n¼1
The above equation is a Lebesgue sum, and as N-1, (25) 4. Simulation and results
converges to the limit
lim ðMn MÞði;jÞ δx The CINT method presented in the previous section is demon-
N-1
Z strated on three IBVPs with known analytical solutions. The first
¼ ψ j ðxÞψ i ðxÞ dx ¼ 〈ψ j ðxÞ; ψ i ðxÞ〉 ¼ Ai;j : ð26Þ problem consists of a 2D wave equation in a circular domain with
Ω
Dirichlet boundary conditions. The second problem is a 2D wave
Similarly, for any element of the matrix in the right-hand side of equation on a square domain and Neumann boundary conditions.
(24), the following holds: The wave equation is a linear hyperbolic PDE that is chosen
because of its broad applicability to areas ranging from acoustics
N ∂k hðx; tÞ
ðMn ξÞðiÞ δx ¼ ∑ D½uðx;
^ tÞ ψ i ðxn Þ δx [30] to electromagnetics [31]. The third problem is a 2D heat/
n¼1 ∂t k
xn
diffusion equation on a semi-circular domain with Dirichlet boun-
N ∂k hðx; tÞ dary conditions. The heat/diffusion equation is a parabolic PDE
^
¼ ∑ D½uðx; tÞ
∂t k ψ i ðxn Þ μðSn Þ: ð27Þ
n¼1 xn that has been used to model physical phenomena such as particle
and thermal diffusion, as well as processes in finance. These PDEs
Because (27) is a Lebesgue sum as N-1, it converges to the limit
and their domains were chosen because they each have an
Z
∂k hðx; tÞ analytical solution that can be used to compare the results ob-
lim ðMn ξÞðiÞ δx ¼ ^
D½uðx; tÞ ψ i ðxÞ dx
N-1 Ω ∂t k tained by CINT and FE methods.
Table 1
Performance comparison between CINT and FE methods.
∂u
ðx; y; 0Þ ¼ 0; 8 ðx; yÞ A Ω ð34Þ
∂t
where J 0 ðÞ represents a Bessel function of the first kind, defined as
1 ð 1Þm r
2m
J 0 ðrÞ ¼ ∑ 2 2
ð35Þ
m ¼ 0 ðm!Þ
and λ4 represents the 4th zero of J 0 ðÞ. This IBVP can be solved
using the method of separation of variables [38], and has the
analytical solution:
qffiffiffiffiffiffiffiffiffiffiffiffiffiffi
uðx; y; tÞ ¼ J 0 λ4 x2 þ y2 cos ðcλ4 tÞ ð36Þ
is used for the transfer functions σ j;m ðxÞ, where j ¼ 0; 1; …; 14, and
m ¼ 0; 1; …; j. Thus, the ANN used to approximate the solution to
the IBVP (31)–(35) is given by
14 m ¼ j
^ y; tÞ ¼ ∑
uðx; ∑ xj m ym αjm ðtÞ
j¼0m¼0
40
α~ q ðtÞ:
2
þ ðy yq Þ2
þ ∑ e 10½ðx xq Þ ð38Þ
q¼1
than the FE method. In the heat/diffusion equation, the FE method This section presents the results obtained for the 2D wave
was found to be faster, but in all IBVPs, the solution obtained by equation on a square domain with Neumann boundary conditions,
CINT was considerably more accurate than the solution obtained Ω ¼ fðx; yÞjðx; yÞ A ½ 1; 1 ½ 1; 1g, and a time interval ½0; 3 s. The
282 K. Rudd, S. Ferrari / Neurocomputing 155 (2015) 277–285
∂u
ðx; y; 0Þ ¼ 0; 8 ðx; yÞ A Ω ð42Þ
∂t
The analytical solutions of the IBVP in (39)–(42) can be obtained
using the method of separation of variables [38], and is given by
qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
uðx; y; tÞ ¼ cos ð2π xÞ cos ð3π yÞ cos cπ 22 þ32 t ð43Þ
f1; sin ðπ yÞ; cos ðπ yÞ; …; sin ð5π yÞ; cos ð5π yÞg; ð50Þ
Acknowledgmens
Q~ Q
¼ ∑ B½σ~ q~ ðxÞα~ q~ ðtÞ þ ∑ B½σ q ðxÞαq ðtÞ ðA:1Þ
q~ ¼ 1 q¼1
Table B1
Parameters used in the ANN solution in the CINT method.
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optimization, in: IEEE Congress on Evolutionary Computation (CEC), IEEE, in applied mathematics from Northwestern University,
Hoboken, NJ, 2010, pp. 1–8. Evanston, IL, USA, in 2008, and the Master of Engineering
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control of nonlinear systems using neural network HJB approach, IEEE Trans. University, Durham, NC, USA, in 2010 and 2013,
Neural Netw. 18 (6) (2007) 1725–1737. respectively.
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[18] D. Kopriva, Implementing Spectral Methods for Partial Differential Equations:
Algorithms for Scientists and Engineers, Scientific Computation, Springer, New
York, NY, 2009. Silvia Ferrari is Paul Ruffin Scarborough Associate
[19] S.A. Orszag, Spectral methods for problems in complex geometries, J. Comput. Professor of Engineering and Computer Science at Duke
Phys. 37 (1) (1980) 70–92. University, where she directs the Laboratory for Intel-
[20] A. Bueno-Orovio, V. Perez-Garcia, F.H. Fenton, Spectral methods for partial ligent Systems and Controls (LISC) and the NSF IGERT
differential equations in irregular domains: the spectral smoothed boundary on Wireless Intelligent Sensor Networks (WISeNet).
method, SIAM J. Sci. Comput. 28 (3) (2006) 886–915. Her principal research interests include robust adaptive
[21] S. Ferrari, M. Jensenius, A constrained optimization approach to preserving control of aircraft, learning and approximate dynamic
prior knowledge during incremental training, IEEE Trans. Neural Netw. 19 (6) programming, and optimal control of mobile sensor
(2008) 996–1009. networks. She received the B.S. degree from Embry-
[22] G.D. Muro, S. Ferrari, A constrained-optimization approach to training neural Riddle Aeronautical University and the M.A. and Ph.D.
networks for smooth function approximation and system identification, in: degrees from Princeton University. She is a senior
IJCNN'08, 2008, pp. 2353–2359. member of the IEEE, and a member of ASME, SPIE,
[23] C. Canuto, Spectral methods in fluid dynamics, Springer Series in Computa- and AIAA. She is the recipient of the ONR young
tional Physics, Springer-Verlag, New York, NY, 1988. investigator award (2004), the NSF CAREER award (2005), and the Presidential
[24] D. Gottlieb, S. Orszag, Numerical analysis of spectral methods: theory and Early Career Award for Scientists and Engineers (PECASE) award (2006).
applications, in: CBMS-NSF Regional Conference Series in Applied