Lu_2019_DeepONet_arXiv_1910.03193
š ę„ęŗ PDFļ¼Lu_2019_DeepONet_arXiv_1910.03193.pdf
ę£ęļ¼ę锵ęåļ¼
第 1 锵
0
2
0
2
r
p
A
5
1
]
G
L
.
s
c
[
3
v
3
9
1
3
0
.
0
1
9
1
:
v
i
X
r
a
DeepONet: Learning nonlinear operators for identifying diļ¬erential
equations based on the universal approximation theorem of
operators
Lu Lu1, Pengzhan Jin2, and George Em Karniadakis1
1Division of Applied Mathematics, Brown University, Providence, RI 02912, USA
2LSEC, ICMSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences,
Beijing 100190, China
Abstract
While it is widely known that neural networks are universal approximators of continuous functions,
a less known and perhaps more powerful result is that a neural network with a single hidden layer can
approximate accurately any nonlinear continuous operator [5]. This universal approximation theorem
is suggestive of the potential application of neural networks in learning nonlinear operators from data.
However, the theorem guarantees only a small approximation error for a suļ¬cient large network, and does
not consider the important optimization and generalization errors. To realize this theorem in practice,
we propose deep operator networks (DeepONets) to learn operators accurately and eļ¬ciently from a
relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function
at a ļ¬xed number of sensors xi, i = 1, . . . , m (branch net), and another for encoding the locations for the
output functions (trunk net). We perform systematic simulations for identifying two types of operators,
i.e., dynamic systems and partial diļ¬erential equations, and demonstrate that DeepONet signiļ¬cantly
reduces the generalization error compared to the fully-connected networks. We also derive theoretically
the dependence of the approximation error in terms of the number of sensors (where the input function is
deļ¬ned) as well as the input function type, and we verify the theorem with computational results. More
importantly, we observe high-order error convergence in our computational tests, namely polynomial
rates (from half order to fourth order) and even exponential convergence with respect to the training
dataset size.
1 Introduction
The universal approximation theorem states that neural networks can be used to approximate any continuous
function to arbitrary accuracy if no constraint is placed on the width and depth of the hidden layers [7, 11].
However, another approximation result, which is yet more surprising and has not been appreciated so far,
states that a neural network with a single hidden layer can approximate accurately any nonlinear continuous
functional (a mapping from a space of functions into the real numbers) [3, 18, 25] or (nonlinear) operator (a
mapping from a space of functions into another space of functions) [5, 4].
Before reviewing the approximation theorem for operators, we introduce some notation, which will be
used through this paper. Let G be an operator taking an input function u, and then G(u) is the corresponding
output function. For any point y in the domain of G(u), the output G(u)(y) is a real number. Hence, the
network takes inputs composed of two parts: u and y, and outputs G(u)(y) (Fig. 1A). Although our goal is
to learn operators, which take a function as the input, we have to represent the input functions discretely, so
that network approximations can be applied. A straightforward and simple way, in practice, is to employ the
1
第 2 锵
function values at suļ¬cient but ļ¬nite many locations
(Fig. 1A). Next, we state the following theorem due to Chen & Chen [5], see appendix for more details.
; we call these locations as āsensorsā
x1, x2, . . . , xm
{
}
Theorem 1 (Universal Approximation Theorem for Operator). Suppose that Ļ is a continuous non-
d,
polynomial function, X is a Banach Space, K1
respectively, V is a compact set in C(K1), G is a nonlinear continuous operator, which maps V into C(K2).
Then for any (cid:15) > 0, there are positive integers n, p, m, constants ck
K1,
i = 1, . . . , n, k = 1, . . . , p, j = 1, . . . , m, such that
d are two compact sets in X and R
X, K2
R, wk
ij, Īøk
i , ξk
d, xj
i , ζk
ā
ā
R
R
ā
ā
ā
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
G(u)(y)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
p
(cid:88)
n
(cid:88)
ā
k=1
i=1
(cid:124)
ck
i Ļ
holds for all u
V and y
K2.
ā
ā

ļ£
m
(cid:88)

iju(xj) + Īøk
ξk
i

j=1
(cid:123)(cid:122)
branch
(cid:125)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
y + ζk)
(cid:12)
(cid:12)
Ā·
(cid:123)(cid:122)
(cid:125)
(cid:12)
trunk
(cid:12)
(cid:12)
Ļ(wk
(cid:124)
< (cid:15)
(1)
Figure 1: Illustrations of the problem setup and architectures of DeepONets. (A) The network to learn
G(u) takes two inputs [u(x1), u(x2), . . . , u(xm)] and y. (B) Illustration of the training
an operator G : u
data. For each input function u, we require that we have the same number of evaluations at the same scattered
sensors x1, x2, . . . , xm. However, we do not enforce any constraints on the number or locations for the
evaluation of output functions.
(C) The stacked DeepONet in Theorem 1 has one trunk network and p
stacked branch networks. (D) The unstacked DeepONet has one trunk network and one branch network.
(cid:55)ā
This approximation theorem indicates the potential application of neural networks to learn nonlinear
operators from data, i.e., similar to what the deep learning community is currently doing, that is learning
2
AInputs&Outputu:functionu(x1)u(x2)Ā·Ā·Ā·u(xm)yāRdNetworkG(u)(y)āRBTrainingdataInputfunctionuatļ¬xedsensorsx1,...,xmOutputfunctionG(u)atrandomlocationy......Gx1x2xmx1x2xmCStackedDeepONetuu(x1)u(x2)Ā·Ā·Ā·u(xm)Branchnet1Branchnet2...Branchnetpb1b2...bpyTrunknett1t2...tpĆG(u)(y)DUnstackedDeepONetuu(x1)u(x2)Ā·Ā·Ā·u(xm)Branchnetb1b2...bpyTrunknett1t2...tpĆG(u)(y)第 3 锵
functions from data. However, this theorem does not inform us how to learn operators eļ¬ectively. Considering
the classical image classiļ¬cation task as an example, the universal approximation theorem of neural networks
for functions [7, 11] shows that fully-connected neural networks (FNNs) are capable to approximate the
ground-truth classiļ¬cation function accurately, but in practice the performance of FNNs is far from networks
with speciļ¬c architectures, such as the widely-used convolutional neural networks (CNN) [14] or the more
recent capsule neural network (CapsNet) [27]. The performance gap lies in the fact that the accuracy of
NNs can be characterized by dividing the total error into three main types: approximation, optimization, and
generalization [1, 17, 13, 16]. The universal approximation theorems only guarantee a small approximation
error for a suļ¬ciently large network, but they do not consider the optimization error and generalization error
at all, which are equally important and often dominant contributions to the total error in practice. Useful
networks should be easy to train, i.e., exhibit small optimization error, and generalize well to unseen data,
i.e., exhibit small generalization error.
To demonstrate the capability and eļ¬ectiveness of learning nonlinear operators by neural networks, we
setup the problem as general as possible by using the weakest possible constraints on the sensors and training
dataset. Speciļ¬cally, the only condition required is that the sensor locations
are the same
but not necessarily on a lattice for all input functions u, while we do not enforce any constraints on the
output locations y (Fig. 1B). To learn operators accurately and eļ¬ciently, we propose a speciļ¬c network
architecture, the deep operator network (DeepONet), to achieve smaller total error. We will demonsrate that
the DeepONet signiļ¬cantly improves generalization based on a design of two sub-networks, the branch net
for the input function and the trunk-net for the location to evaluate the output function.
x1, x2, . . . , xm
{
}
We consider two types of operators, i.e., dynamic systems (e.g., in the form of ordinary diļ¬erential
equations, ODEs) and partial diļ¬erential equations (PDEs). Dynamic systems are typically described by
diļ¬erence or diļ¬erential equations, and identiļ¬cation of a nonlinear dynamic plant is a major concern in
control theory. Some works [22, 33] used neural networks to identify dynamic systems, but they only
considered the dynamic systems described by diļ¬erence equations. Some other works [20, 24, 23, 9] predict
the evolution of a speciļ¬c dynamic system rather than identifying the system behavior for new unseen input
signals. The network architectures they employed includes FNNs [24], recurrent neural networks (RNNs)
[20], reservoir computing [20], residual networks [23], autoencoder [9], neural ordinary diļ¬erential equations
[6], and neural jump stochastic diļ¬erential equations [12]. For identifying PDEs, some works treat the input
and output function as an image, and then use CNNs to learn the image-to-image mapping [30, 34], but this
approach can be only applied to the particular type of problems, where the sensors of the input function
u are distributed on a equispaced grid, and the training data must include all the G(u)(y) values with y
also on a equispaced grid. In another approach without this restriction, PDEs are parametrized by unknown
coeļ¬cients, and then only the coeļ¬cient values are identiļ¬ed from data [2, 26, 31, 21, 15]. Alternatively, a
generalized CNN based on generalized moving least squares [28] can be used for unstructured data, but it
can only approximate local operators and is not able to learn other operators like an integral operator.
The paper is organized as follows. In Section 2, we present two network architectures of DeepONet:
the stacked DeepONet and the unstacked DeepONet, and then introduce the data generation procedure.
In Section 3, we present a theoretical analysis on the number of sensors required to represent the input
function accurately for approximating ODE operators. In Section 4, we test the performance of FNN, stacked
DeepONet, and unstacked DeepONet for diļ¬erent examples, and demonstrate the accuracy and convergence
rates of unstacked DeepONet. Finally, we conclude the paper in Section 5.
3第 4 锵
2 Methodology
2.1 Deep operator networks (DeepONets)
We focus on learning operators in a more general setting, where the only requirement for the training dataset
is the consistency of the sensors
for input functions. In this general setting, the network
inputs consist of two separate components: [u(x1), u(x2), . . . , u(xm)]T and y (Fig. 1A), and the goal is to
achieve good performance by designing the network architecture. One straightforward solution is to directly
employ a classical network, such as FNN, CNN or RNN, and concatenate two inputs together as the network
input, i.e., [u(x1), u(x2), . . . , u(xm), y]T . However, the input does not have any speciļ¬c structure, and thus
it is not meaningful to choose networks like CNN or RNN. Here we use FNN as the baseline model.
x1, x2, . . . , xm
{
}
In high dimensional problems, y is a vector with d components, so the dimension of y does not match the
dimension of u(xi) for i = 1, 2, . . . , m any more. This also prevents us from treating u(xi) and y equally, and
thus at least two sub-networks are needed to handle [u(x1), u(x2), . . . , u(xm)]T and y separately. Although
the universal approximation theorem (Theorem 1) does not have any guarantee on the total error, it still
provides us a network structure in Eq. 1. Theorem 1 only considers a shallow network with one hidden
layer, so we extend it to deep networks, which have more expressivity than shallow ones. The architecture
we propose is shown in Fig. 1C, and the details are as follows. First there is a ātrunkā network, which takes
p. In addition to the trunk network, there are p ābranchā
y as the input and outputs [t1, t2, . . . , tp]T
R
R for
networks, and each of them takes [u(x1), u(x2), . . . , u(xm)]T as the input and outputs a scalar bk
k = 1, 2, . . . , p. We merge them together as in Eq. 1:
ā
ā
G(u)(y)
p
(cid:88)
k=1
ā
bktk.
We note that the trunk network also applies activation functions in the last layer, i.e., tk = Ļ(
) for
Ā·
k = 1, 2, . . . , p, and thus this trunk-branch network can also be seen as a trunk network with each weight in
the last layer parameterized by another branch network instead of the classical single variable. We also note
that in Eq. 1 the last layer of each bk branch network does not have bias. Although bias is not necessary in
Theorem 1, adding bias may increase the performance by reducing the generalization error. In addition to
adding bias to the branch networks, we may also add a bias b0
R in the last stage:
ā
G(u)(y)
p
(cid:88)
k=1
ā
bktk + b0.
(2)
In practice, p is at least of the order of 10, and using lots of branch networks is computationally and
memory expensive. Hence, we merge all the branch networks into one single branch network (Fig. 1D),
i.e., a single branch network outputs a vector [b1, b2, . . . , bp]T
In the ļ¬rst DeepONet (Fig. 1C),
there are p branch networks stacked parallel, so we name it as āstacked DeepONetā, while we refer to the
second DeepONet (Fig. 1D) as āunstacked DeepONetā. All versions of DeepONets are implemented in
DeepXDE [15], a user-friendly Python library designed for scientiļ¬c machine learning (https://github.
com/lululxvi/deepxde).
R
p.
ā
DeepONet is a high-level network architecture without deļ¬ning the architectures of its inner trunk and
branch networks. To demonstrate the capability and good performance of DeepONet alone, we choose the
simplest FNN as the architectures of the sub-networks in this study. It is possible that using convolutional
layers we could further improve accuracy. However, convolutional layers usually work for square domains
with
on a equispaced grid, so as alternative and for a more general setting we may use the
x1, x2, . . . , xm
{
āattentionā mechanism [29].
}
4第 5 锵
Embodying some prior knowledge into neural network architectures usually induces good generalization.
This inductive bias has been reļ¬ected in many networks, such as CNN for images and RNN for sequential
data. The success of DeepONet even using FNN as its sub-networks is also due to its strong inductive bias.
The output G(u)(y) has two independent inputs u and y, and thus using the trunk and branch networks
explicitly is consistent with this prior knowledge. More broadly, G(u)(y) can be viewed as a function of y
conditioning on u. Finding an eļ¬ective way to represent the conditioning input is still an open question, and
diļ¬erent approaches have been proposed, such as feature-wise transformations [8].
2.2 Data generation
The input signal u(x) of the process plays an important role in system identiļ¬cation. Clearly, the input
signal is the only possibility to inļ¬uence the process in order to gather information about its response, and
the quality of the identiļ¬cation signal determines an upper bound on the accuracy that in the best case can
be achieved by any model. In this study, we mainly consider two function spaces: Gaussian random ļ¬eld
(GRF) and orthogonal (Chebyshev) polynomials.
We use the mean-zero GRF:
u
(0, kl(x1, x2)),
ā¼ G
where the covariance kernel kl(x1, x2) = exp(
2/2l2) is the radial-basis function (RBF) kernel
ā
with a length-scale parameter l > 0. The length-scale l determines the smoothness of the sampled function,
and larger l leads to smoother u.
ā(cid:107)
x2
x1
(cid:107)
Let M > 0 and Ti are Chebyshev polynomials of the ļ¬rst kind. We deļ¬ne the orthogonal polynomials
of degree N as:
Vpoly =
(cid:40)N ā1
(cid:88)
i=0
(cid:41)
aiTi(x) :
ai
|
| ā¤
M
.
We generate the dataset from Vpoly by randomly sampling ai from [
M, M ] to get a sample of u.
After sampling u from the chosen function spaces, we solve the ODE systems by Runge-Kutta (4, 5)
and PDEs by a second-order ļ¬nite diļ¬erence method to obtain the reference solutions. We note that one
data point is a triplet (u, y, G(u)(y)), and thus one speciļ¬c input u may appear in multiple data points with
diļ¬erent values of y. For example, a dataset of size 10000 may only be generated from 100 u trajectories,
and each evaluates G(u)(y) for 100 y locations.
ā
3 Number of sensors for identifying nonlinear dynamic systems
In this section, we investigate how many sensor points we need to achieve accuracy ε for identifying nonlinear
dynamic systems. Suppose that the dynamic system is subject to the following ODE system:
(cid:26) d
dx s(x) = g(s(x), u(x), x)
s(a) = s0
,
where u
(3) serving as the output signal.
V (a compact subset of C[a, b]) is the input signal, and s : [a, b]
ā
Let G be the operator mapping the input u to the output s, i.e., Gu satisļ¬es
ā
R
(3)
K is the solution of system
(Gu)(x) = s0 +
(cid:90) x
a
g((Gu)(t), u(t), t)dt.
5
第 6 锵
Now, we choose uniformly m + 1 points xj = a + j(b
function um(x) as follows:
ā
a)/m, j = 0, 1,
Ā· Ā· Ā·
, m from [a, b], and deļ¬ne the
um(x) = u(xj) +
u(xj+1)
xj+1
ā
ā
u(xj)
xj
(x
ā
xj), xj
x
ā¤
ā¤
xj+1, j = 0, 1,
, m
1.
ā
Ā· Ā· Ā·
m, and let Um =
, which is obviously a
Denote the operator mapping u to um by
}
{L
m keeps the compactness. Naturally,
compact subset of C[a, b] since V is compact and continuous operator
Um as the union of two compact sets is also compact. Then, set W := (cid:83)ā
i=1 Wi, and Lemma 7
Wm := V
points out that W is still a compact set. Since G is a continuous operator, G(W ) is compact in C([a, b]; R
K).
The subsequent discussions are mainly within W and G(W ). For convenience of analysis, we assume that
g(s, u, x) satisļ¬es the Lipschitz condition with respect to s and u on G(W )
W , i.e., there is a constant
c > 0 such that
u
m(u)
|
Ć
L
L
āŖ
ā
V
g(s1, u, x)
g(s, u1, x)
(cid:107)
(cid:107)
g(s2, u, x)
g(s, u2, x)
2
(cid:107)
2
(cid:107)
ā¤
ā¤
s1
c
(cid:107)
u1
c
|
ā
ā
s2
u2
|
ā
ā
2
(cid:107)
.
Note that this condition is easy to achieve, for instance, as long as g is diļ¬erentiable with respect to s and u
on G(W )
For u
Um, there exists a constant Īŗ(m, V ) depending on m and compact space V , such that
W .
V, um
Ć
ā
ā
max
xā[a,b] |
u(x)
ā
um(x)
| ā¤
Īŗ(m, V ),
Īŗ(m, V )
0 as m
.
ā ā
ā
(4)
When V is GRF with RBF kernel, we have Īŗ(m, V )
these concepts, we have the following theorem.
ā¼
1
m2l2
, see Appendix C for the proof. Based on the
Theorem 2. Suppose that m is a positive integer making c(b
d
R
[a, b], there exist
nĆ(m+1), b1
m+1,
R
R
ā
KĆn, b2
ā
2
W
ā
1
W
ā
ā
K, such that
R
ā
a)Īŗ(m, V )ec(bāa) less than ε, then for any
(Gu)(d)
(cid:107)
V .
holds for all u
ā
(
2
W
Ā·
ā
Ļ(
1
W
Ā·
[u(x0)
Ā· Ā· Ā·
u(xm)]T + b1) + b2)
(cid:107)
2 < ε
Proof. The proof can be found in Appendix B.
4 Simulation results
In this section, we ļ¬rst show that DeepONets have better performance than FNNs due to the smaller
generalization error even in the easiest linear problem, and then demonstrate the capability of DeepONets
for three nonlinear ODE and PDE problems. In all problems, we use the Adam optimizer with learning rate
0.001, and the number of iterations is chosen to guarantee the training is convergent. The other parameters
and network sizes are listed in Tables 1 and 2, unless otherwise stated. The codes of all examples are
published in GitHub (https://github.com/lululxvi/deepxde).
4.1 A simple 1D dynamic system
A 1D dynamic system is described by
ds(x)
dx
= g(s(x), u(x), x),
x
[0, 1],
ā
with an initial condition s(0) = 0. Our goal is to predict s(x) over the whole domain [0, 1] for any u(x).
6第 7 锵
Table 1: Default parameters for each problem, unless otherwise stated. We note that one data point is a
triplet (u, y, G(u)(y)), and thus one speciļ¬c input u may generate multiple data points with diļ¬erent values
of y.
Case
u space
# Sensors m # Training
# Test
# Iterations Other parameters
4.1.1 GRF (l = 0.2)
4.1.2 GRF (l = 0.2)
4.2
GRF (l = 0.2)
GRF (l = 0.2)
4.3
100
100
100
100
10000
10000
10000
100000
100000
100000
1000000
50000
100000
100000
500000
k = 1, T = 1
Table 2: DeepONet size for each problem, unless otherwise stated.
Network type
Trunk depth Trunk width Branch depth Branch width
Stacked/Unstacked
Unstacked
Unstacked
3
3
3
40
40
100
2
2
2
40
40
100
Case
4.1
4.2
4.3
4.1.1 Linear case: g(s(x), u(x), x) = u(x)
We ļ¬rst consider a linear problem by choosing g(s(x), u(x), x) = u(x), which is equivalent to learning the
antiderivative operator
(cid:90) x
G : u(x)
(cid:55)ā
s(x) =
u(Ļ )dĻ.
0
As the baseline, we train FNNs to learn the antiderivative operator. To obtain the best performance of FNNs,
we grid search the three hyperparameters: depth from 2 to 4, width from 10 to 2560, and learning rate
from 0.0001 to 0.01. The mean squared error (MSE) of the test dataset with learning rate 0.01, 0.001, and
0.0001 are shown in Fig. 2. Although we only choose depth up to 4, the results show that increasing the
depth further does not improve the error. Among all these hyperparameters, the smallest test error
10ā4
is obtained for the network with depth 2, width 2560, and learning rate 0.001. We observe that when the
network is small, the training error is large and the generalization error (the diļ¬erence between test error
and training error) is small, due to small expressivity. When the network size increases, the training error
decreases, but the generalization error increases. We note that FNN has not reached the overļ¬tting region,
where the test error increases.
ā¼
Compared to FNNs, DeepONets have much smaller generalization error and thus smaller test error.
Here we do not aim to ļ¬nd the best hyperparameters, and only test the performance of the two DeepONets
listed in Table 2. The training trajectory of an unstacked DeepONet with bias is shown in Fig. 3A, and the
generalization error is negligible. We observe that for both stacked and unstacked DeepONets, adding bias
to branch networks and Eq. (2) reduces both training and test errors (Fig. 3B); DeepONets with bias also
have smaller uncertainty, i.e., more stable for training from random initialization (Fig. 3B). Compared to
stacked DeepONets, although unstacked DeepONets have larger training error, the test error is smaller, due
to the smaller generalization error. Therefore, unstacked DeepONets with bias achieve the best performance.
In addition, unstacked DeepONets have fewer number of parameters than stacked DeepONets, and thus can
be trained faster using much less memory.
7
第 8 锵
(C and D) Learning rate 0.001.
(E and F) Learning rate 0.0001.
Figure 2: Errors of FNNs trained to learn the antiderivative operator (linear case). (A and B) Learning
(A, C, E) The solid and
rate 0.01.
dash lines are the training error and test error during the training process, respectively. The blue, red and
green lines represent FNNs of size (depth 2, width 10), (depth 3, width 160), and (depth 4, width 2560),
respectively. (B, D, F) The blue, red and green lines represent FNNs of depth 2, 3 and 4, respectively. The
shaded regions in (D) are the one-standard-derivation (SD) from 10 runs with diļ¬erent training/test data and
network initialization. For clarity, only the SD of learning rate 0.001 is shown (Fig. D). The number of
sensors for u is m = 100.
8
10-510-410-310-210-1100101 0 10000 20000 30000 40000 50000AMSE# IterationsD2W10: TrainD3W160: TrainD4W2560: TrainD2W10: TestD3W160: TestD4W2560: Test10-510-410-310-2 10 100 1000BMSEWidthDepth 2: TrainDepth 2: TestDepth 3: TrainDepth 3: TestDepth 4: TrainDepth 4: Test10-810-710-610-510-410-310-210-1100 0 10000 20000 30000 40000 50000CMSE# IterationsD2W10: TrainD3W160: TrainD4W2560: TrainD2W10: TestD3W160: TestD4W2560: Test10-910-810-710-610-510-410-310-2 10 100 1000DMSEWidthDepth 2: TrainDepth 2: TestDepth 3: TrainDepth 3: TestDepth 4: TrainDepth 4: Test10-810-710-610-510-410-310-210-1100 0 10000 20000 30000 40000 50000EMSE# IterationsD2W10: TrainD3W160: TrainD4W2560: TrainD2W10: TestD3W160: TestD4W2560: Test10-910-810-710-610-510-410-310-2 10 100 1000FMSEWidthDepth 2: TrainDepth 2: TestDepth 3: TrainDepth 3: TestDepth 4: TrainDepth 4: Test
第 9 锵
(A) The
Figure 3: Errors of DeepONets trained to learn the antiderivative operator (linear case).
training trajectory of an unstacked DeepONet with bias. (B) The training/test error for stacked/unstacked
DeepONets with/without bias compared to the best error of FNNs. The error bars are the one-standard-
derivation from 10 runs with diļ¬erent training/test data and network initialization.
4.1.2 Nonlinear case: g(s(x), u(x), x) =
s2(x) + u(x)
ā
s2(x)+u(x). Because s(x) may explode for
Next we consider a nonlinear problem with g(s(x), u(x), x) =
certain u, we compute the test MSE by removing the 1ā° worst predictions. During the network training, the
training MSE and test MSE of both stacked and unstacked DeepONets decrease, but the correlation between
training MSE and test MSE of unstacked DeepONets is tighter (Fig. 4A), i.e., smaller generalization error.
This tight correlation between training and test MSE of unstacked DeepONets is also observed across multiple
runs with random training dataset and network initialization (Fig. 4B). Moreover, the test MSE and training
MSE of unstacked DeepONets follow almost a linear correlation
ā
MSEtest
10
ā
Ć
MSEtrain
10ā4.
ā
Fig. 4C shows that unstacked DeepONets have smaller test MSE due to smaller generalization error.
DeepONets work even for out-of-distribution predictions, see three examples of the prediction in Fig. 5. In
the following study, we will use unstacked DeepONets.
4.2 Gravity pendulum with an external force
The motion of a gravity pendulum with an external force is described as
ds1
dt
ds2
dt
= s2,
=
k sin s1 + u(t),
ā
with an initial condition s(0) = 0, and k is determined by the acceleration due to gravity and the length of
the pendulum. This problem is characterized by three factors: (1) k, (2) maximum prediction time T , and
(3) input function space. The accuracy of learned networks is determined by four factors: (1) the number of
sensor points m; (2) training dataset size; (3) network architecture, (4) optimizer. We investigate the eļ¬ects
of these factors on the accuracy.
4.2.1 Number of sensors
The number of sensors required to distinguish two input functions depends on the value of k, prediction time
T , and the input function space. For the case with k = 1, T = 1 and l = 0.2, when the number of sensors
9
10-610-510-410-310-210-1100 0 10000 20000 30000 40000 50000AMSE# IterationsTrainTest10-610-510-4FNN(best)Stacked(no bias)Stacked(bias)Unstacked(no bias)Unstacked(bias)BMSETrainTest
第 10 锵
Figure 4: Nonlinear ODE: unstacked DeepONets have smaller generalization error and smaller test
MSE than stacked DeepONets. (A) The correlation between the training MSE and the test MSE of one
stacked/unstacked DeepONet during the training process.
(B) The correlation between the ļ¬nal training
MSE and test MSE of stacked/unstacked DeepONets in 10 runs with random training dataset and network
initialization. The training and test MSE of unstacked DeepONets follow a linear correlation (black dash
line). (C) The mean and one-standard-derivation of data points in B.
Figure 5: Nonlinear ODE: predictions of a trained unstacked DeepONet on three out-of-distribution
input signals. The blue and red lines represent the reference solution and the prediction of a DeepONet.
10
10-510-410-310-210-110-510-410-310-210-1ATrainingTest MSETrain MSEStackedUnstacked10-510-410-310-510-4BTest MSETrain MSEStackedUnstacked10x-10-410-610-510-410-3StackedUnstackedCMSETrainTest-0.1 0 0.1 0.2 0.3 0.4 0.5 0 0.2 0.4 0.6 0.8 1s(x)xu(x) = xRef.DeepONet-0.1 0 0.1 0.2 0.3 0.4 0.5 0.6 0 0.2 0.4 0.6 0.8 1s(x)xu(x) = sin(Ļx)Ref.DeepONet-0.1 0 0.1 0.2 0.3 0.4 0 0.2 0.4 0.6 0.8 1s(x)xu(x) = sin(2Ļx)Ref.DeepONet
第 11 锵
m is small, the error decays exponentially as we increase the number of sensors, Fig. 6A):
When m is already large, the eļ¬ect of increasing m is negligible. The transition occurs at
indicated by the arrow.
10 sensors, as
ā¼
MSE
ā
4.6ā#sensors
.
25 sensors.
To predict s for a longer time, more sensors are required (Fig. 6B). For example, predicting until T = 5
requires
If the function u is less smooth corresponding to smaller l, it also requires more
sensors (Fig. 6C). However, the number of sensors is not sensitive to k (Fig. 6D). Although it is hard to
quantify the exact dependency of m on T and l, by ļ¬tting the computational results we show that
ā¼
m
ā
āT and m
lā1.
ā
In Theorem 2, m should be large enough to make T ecT Īŗ(m, V ) small. In Appendix C we show theoretically
that m
lā1 for the GRF function space with RBF kernel, which is consistent with our computational result
here. T ecT in the bound is loose compared to the computational results.
ā
Figure 6: Gravity pendulum: required number of sensors for diļ¬erent T , k and l. (A) Training MSE
(square symbols) and test MSE (circle symbols) decrease as the number of sensors increases in the case
k = 1, T = 1 and l = 0.2. Training and test MSE versus the number of sensors in diļ¬erent conditions of
(B) T , (C) l, and (D) k. For clarity, the SD is not shown. The arrow indicates where the rate of the error
decay diminishes.
4.2.2 Error tendency and convergence
Here we investigate the error tendency under diļ¬erent conditions, including prediction time, network size,
and training dataset size. We ļ¬rst observe that both the training and test errors grow exponentially with the
maximum prediction time (Fig. 7A):
MSE
8T .
ā
We note that the error is not the error at time T but the average error over the domain [0, T ], because we
predict the s(t) for any t
[0, T ]. As shown in Fig. 6B, 100 sensor points are suļ¬cient for T = 5, and
thus the possible reasons for increased error are: (1) the network is too small, and (2) training data is not
suļ¬cient. Because the error in T = 1 is already very small, to leverage the error, we use T = 3 in the
following experiments. By varying the network width, we can observe that there is a best width to achieve
ā
11
10-710-610-510-410-310-2100101102Aā¼4.6-xMSE# SensorsTrainTest10-710-610-510-410-310-210010110210-710-610-510-410-310-210-1100100101102B# SensorsT=1: TrainT=1: TestT=2: TrainT=2: TestT=5: TrainT=5: Test10-710-610-510-410-310-210-110010010110210-710-610-510-410-310-2100101102C# Sensorsl=0.3: Trainl=0.3: Testl=0.2: Trainl=0.2: Testl=0.1: Trainl=0.1: Test10-710-610-510-410-310-210010110210-710-610-510-410-310-2100101102D# Sensorsk=10: Traink=10: Testk=1: Traink=1: Testk=0.1: Traink=0.1: Test10-710-610-510-410-310-2100101102
第 12 锵
the smallest error (Fig. 7B). It is reasonable that increasing the width from 1 to 100 would decrease the error,
but the error would instead increase when the width further increases. This could be due to the increased
optimization error, and a better learning rate may be used to ļ¬nd a better network.
To examine the eļ¬ect of training dataset size, we choose networks of width 100 to eliminate the network
size eļ¬ect. The training, test, and generalization errors using diļ¬erent dataset size are shown in Fig. 7C and
D, and we have
MSEtest
(cid:40)
eāx/2000,
xā0.5,
ā
for small dataset
for large dataset
, MSEgen
(cid:40)
eāx/2000,
xā1,
ā
for small dataset
for large dataset
,
where x is the number of training data points. It is surprising that test error and generalization error have
exponential convergence for training dataset size < 104. Even for large dataset, the convergence rate of
xā1 for the generalization error is still higher than the classical xā0.5 in the learning theory [19]. This fast
convergence conļ¬rms the exceptional performance of DeepONets, especially in the region of small dataset.
Figure 7: Gravity pendulum: error tendency and convergence. (A) Both training error (blue) and test
error (red) increase fast for long-time prediction if we keep the network size ļ¬xed at width 40 and the training
data size ļ¬xed at 10000 points. (B) Training and test errors ļ¬rst decrease and then increase, when network
width increases (T = 3). (C) Test error decreases when more training data are used (T = 3, width 100).
(D) Test error and generalization error have exponential convergence for small training dataset, and then
converge with rate xā0.5 and xā1, respectively (T = 3, width 100).
4.2.3
Input function spaces
Next we investigate the eļ¬ect of diļ¬erent function spaces, including GRF with diļ¬erent length scale l and the
space of Chebyshev polynomials with diļ¬erent number of bases. For a ļ¬xed sensor number, we observe that
there exists a critical length scale, around where the training and test errors change rapidly, see the arrows
in Fig. 8A and B. This sharp transition around the critical value is also observed in the space of Chebyshev
polynomials with diļ¬erent number of bases (Fig. 8B). The relations between the critical values and the
sensor numbers are
and #Bases
The inverse relation between l and m is consistent with the theoretical results in Appendix C and the
computational results in Section 4.2.1. Therefore, when the function space complexity increases, one may
increase m to capture the functions well.
mā1
ām.
ā
ā
l
12
10-810-710-610-510-410-310-210-1 1 2 3 4 5A8TMSETimeTrainTest10-810-710-610-510-410-310-210-1 1 2 3 4 510-610-510-410-310-210-1100 1 10 100 1000BWidthTrainTest10-610-510-410-310-210-1100 1 10 100 100010-810-710-610-510-410-310-2103104105C# Train dataTrainTest10-810-710-610-510-410-310-210310410510-610-510-410-310-2103104105De-x/2000x-1x-0.5# Train dataGen.Test10-610-510-410-310-2103104105
第 13 锵
Figure 8: Gravity pendulum: errors for diļ¬erent input function spaces. Training error (solid line) and
test error (dash line) for (A) GRF function space with diļ¬erent length scale l. The colors correspond to the
number of sensors as shown in the inset. (B) Chebyshev polynomials for diļ¬erent number of basis functions.
4.3 Diļ¬usion-reaction system with a source term
A diļ¬usion-reaction system with a source term u(x) is described by
ās
āt
= D
ā2s
āx2 + ks2 + u(x),
[0, 1], t
x
ā
ā
[0, 1],
with zero initial/boundary conditions, where D = 0.01 is the diļ¬usion coeļ¬cient, and k = 0.01 is the
reaction rate. We use DeepONets to learn the operator mapping from u(x) to the PDE solution s(x, t). In
the previous examples, for each input u, we only use one random point of s(x) for training, and instead we
may also use multiple points of s(x). To generate the training dataset, we solve the diļ¬usion-reaction system
using a second-order implicit ļ¬nite diļ¬erence method on a 100 by 100 grid, and then for each s we randomly
select P points out of these 10000 = 100
100 grid points (Fig. 9A). Hence, the dataset size is equal to the
product of P by the number of u samples. We conļ¬rm that the training and test datasets do not include the
data from the same s.
Ć
We investigate the error tendency with respect to (w.r.t.) the number of u samples and the value of P .
When we use 100 random u samples, the test error decreases ļ¬rst as P increases (Fig. 9B), and then saturates
due to other factors, such as the ļ¬nite number of u samples and ļ¬xed neural network size. We observe a
similar error tendency but with less saturation as the number of u samples increases with P ļ¬xed (Fig. 9C).
In addition, in this PDE problem the DeepONet is able to learn from a small dataset, e.g., a DeepONet can
10ā5 when it is only trained with 100 u samples (P = 1000). We recall that we
reach the test error of
test on 10000 grid points, and thus on average each location point only has 100
1000/10000 = 10 training
data points.
ā¼
Ć
Before the error saturates, the rates of convergence w.r.t. both P and the number of u samples obey a
polynomial law in the most of the range (Figs. 10A and B). The rate of convergence w.r.t. P depends on
the number of u samples, and more u samples induces faster convergence until it saturates (the blue line
in Fig. 10C). Similarly, the rate of convergence w.r.t. the number of u samples depends on the value of P
(the red line in Fig. 10C). In addition, in the initial range of the convergence, we observe an exponential
convergence (Figs. 10D and E) as in Section 4.2.2. The coeļ¬cient 1/k in the exponential convergence eāx/k
also depends on the number of u samples or the value of P (Fig. 10F). It is reasonable that the convergence
rate in Figs. 10C and F increases with the number of u samples or the value of P , because the total number
13
10-710-610-510-410-310-2 0.01 0.1 1AMSELength scalem=10: Trainm=10: Testm=20: Trainm=20: Testm=40: Trainm=40: Test10-710-610-510-410-310-2 10 20 30 40 50 60 70 80 90 100BMSE# Chebyshev basesm=100: Trainm=100: Testm=200: Trainm=200: Testm=400: Trainm=400: Test
第 14 锵
Figure 9: Learning a diļ¬usion-reaction system. (A) (left) An example of a random sample of the input
function u(x). (middle) The corresponding output function s(x, t) at P diļ¬erent (x, t) locations. (right)
Pairing of inputs and outputs at the training data points. The total number of training data points is the product
of P times the number of samples of u. (B) Training error (blue) and test error (red) for diļ¬erent values of the
number of random points P when 100 random u samples are used. (C) Training error (blue) and test error
(red) for diļ¬erent number of u samples when P = 100. The shaded regions denote one-standard-derivation.
14
-1 0 1 2 0 0.2 0.4 0.6 0.8 1Au(x)xA random u sample-1 0 1 2 0 0.2 0.4 0.6 0.8 1 0 0.2 0.4 0.6 0.8 1 0 0.2 0.4 0.6 0.8 1- Training data from one u(u, (x1, t1), s(x1, t1))(u, (x2, t2), s(x2, t2))...(u, (xP, tP), s(xP, tP))- Repeat for diļ¬erent utxs(x, t) at P random locations 0 0.2 0.4 0.6 0.8 1 0 0.2 0.4 0.6 0.8 1-0.5-0.4-0.3-0.2-0.1 0 0.1 0.2 0.3 0.4 0.5(xi, ti)10-910-810-710-610-510-410-310-210-1 10 100 1000BMSEP# u = 100TrainTest10-910-810-710-610-510-410-310-210-1 10 100 100010-710-610-510-410-310-210-1100 10 100 1000CMSE# uP = 100TrainTest10-710-610-510-410-310-210-1100 10 100 1000
第 15 锵
#u. However, by ļ¬tting the points, it is surprising that there is a clear
of training data points is equal to P
tendency in the form of either ln(x) or eāx, which we cannot fully explain yet, and hence more theoretical
and computational investigations are required.
Ć
Figure 10: Error convergence rates for diļ¬erent number of training data points. (A) Convergence of
test error with respect to P for diļ¬erent number of u samples. (B) Convergence of test error with respect
to the number of u samples for diļ¬erent values of P . (C) The polynomial rates of convergence versus the
number of u samples or the values of P . (D) Exponential convergence of test error with respect to P for
diļ¬erent number of u samples. (E) Exponential convergence of test error with respect to the number of u
samples for diļ¬erent values of P . (F) The coeļ¬cient 1/k in the exponential convergence eāx/k versus the
number of u samples or the values of P .
5 Conclusion
In this paper, we formulate the problem of learning operators in a more general setup, and propose DeepONets
to learn nonlinear operators. In DeepONets, we ļ¬rst construct two sub-networks to encode input functions and
location variables separately, and then merge them together to compute the output. We test DeepONets on four
ordinary/partial diļ¬erential equation problems, and show that DeepONets can achieve small generalization
errors by employing this inductive bias. In our simulations, we study systematically the eļ¬ects on the test
error of diļ¬erent factors, including the number of sensors, maximum prediction time, the complexity of the
space of input functions, training dataset size, and network size. We observe diļ¬erent order polynomial and
even exponential error convergence with respect to the training dataset size. To the best of our knowledge, this
is the ļ¬rst time exponential convergence is observed in deep learning. Moreover, we derive theoretically the
dependence of approximation error on diļ¬erent factors, which is consistent with our computational results.
15
10-510-410-310-210-1 10 100 1000Ax-1.4x-2.2x-2.4x-2.4MSEP# u = 50# u = 100# u = 200# u = 40010-510-410-310-210-1 10 100 100010-510-410-310-210-1 10 100 1000Bx-2.6x-2.9x-3.3x-3.7MSE# uP = 50P = 100P = 200P = 40010-510-410-310-210-1 10 100 1000 0 1 2 3 4 5 50 100 200 400 50 100 200 400C2.4 - 5.1e-x/310.5 + 0.5ln(x)Rate of convergence# uPRate w.r.t. P (Fig. A)Rate w.r.t. # u (Fig. B) 0 1 2 3 4 5 50 100 200 400 50 100 200 40010-510-410-310-210-1 10 20 30 40 50 60 70De-x/23e-x/13e-x/10e-x/7.6MSEP10-510-410-310-210-1 10 20 30 40 50 60 7010-410-310-210-1 10 20 30 40 50 60 70Ee-x/16e-x/10e-x/9.2e-x/9.0MSE# u10-410-310-210-1 10 20 30 40 50 60 70 0 0.05 0.1 0.15 0.2 50 100 200 400 50 100 200 400F0.04ln(x) - 0.10.1 - 0.2e-x/371/k# uPRate w.r.t. P (Fig. D)Rate w.r.t. # u (Fig. E) 0 0.05 0.1 0.15 0.2 50 100 200 400 50 100 200 400
第 16 锵
Despite the aforementioned achievements, more work should be done both theoretically and computa-
tionally. For example, there have not been any theoretical results of network size for operator approximation,
similar to the bounds of width and depth for function approximation [10]. We also do not understand
theoretically yet why DeepONets can induce small generalization errors. On the other hand, in this paper
we use fully-connected neural networks for the two sub-networks, but as we discussed in Section 2.1, we can
also employ other network architectures, such as convolutional neural networks or āattentionā mechanism.
These modiļ¬cations may improve further the accuracy of DeepONets.
6 Acknowledgments
We thank Yanhui Su of Fuzhou University for the help on Theorem 2. We thank Zhongqiang Zhang of Worces-
ter Polytechnic Institute for the proof in Appendix C. This work is supported by the DOE PhILMs project
(No. de-sc0019453), the AFOSR grant FA9550-17-1-0013, and the DARPA-AIRA grant HR00111990025.
The work of Pengzhan Jin is partially supported by the Major Project on New Generation of Artiļ¬cial
Intelligence from the Ministry of Science and Technology of China (Grant No. 2018AAA010100).
References
[1] L. Bottou and O. Bousquet. The tradeoļ¬s of large scale learning. In Advances in Neural Information
Processing Systems, pages 161ā168, 2008.
[2] S. L. Brunton, J. L. Proctor, and J. N. Kutz. Discovering governing equations from data by sparse
identiļ¬cation of nonlinear dynamical systems. Proceedings of the National Academy of Sciences,
113(15):3932ā3937, 2016.
[3] T. Chen and H. Chen. Approximations of continuous functionals by neural networks with application
to dynamic systems. IEEE Transactions on Neural Networks, 4(6):910ā918, 1993.
[4] T. Chen and H. Chen. Approximation capability to functions of several variables, nonlinear functionals,
IEEE Transactions on Neural Networks,
and operators by radial basis function neural networks.
6(4):904ā910, 1995.
[5] T. Chen and H. Chen. Universal approximation to nonlinear operators by neural networks with arbitrary
activation functions and its application to dynamical systems. IEEE Transactions on Neural Networks,
6(4):911ā917, 1995.
[6] T. Q. Chen, Y. Rubanova, J. Bettencourt, and D. K. Duvenaud. Neural ordinary diļ¬erential equations.
In Advances in Neural Information Processing Systems, pages 6571ā6583, 2018.
[7] G. Cybenko. Approximation by superpositions of a sigmoidal function. Mathematics of Control,
Signals and Systems, 2(4):303ā314, 1989.
[8] V. Dumoulin, E. Perez, N. Schucher, F. Strub, H. d. Vries, A. Courville, and Y. Bengio. Feature-wise
transformations. Distill, 2018. https://distill.pub/2018/feature-wise-transformations.
[9] N. B. Erichson, M. Muehlebach, and M. W. Mahoney. Physics-informed autoencoders for Lyapunov-
stable ļ¬uid ļ¬ow prediction. arXiv preprint arXiv:1905.10866, 2019.
[10] B. Hanin. Universal function approximation by deep neural nets with bounded width and ReLU
activations. arXiv preprint arXiv:1708.02691, 2017.
16
第 17 锵
[11] K. Hornik, M. Stinchcombe, and H. White. Multilayer feedforward networks are universal approxima-
tors. Neural Networks, 2(5):359ā366, 1989.
[12] J. Jia and A. R. Benson. Neural jump stochastic diļ¬erential equations. arXiv preprint arXiv:1905.10403,
2019.
[13] P. Jin, L. Lu, Y. Tang, and G. E. Karniadakis. Quantifying the generalization error in deep learning in
terms of data distribution and neural network smoothness. arXiv preprint arXiv:1905.11427, 2019.
[14] A. Krizhevsky, I. Sutskever, and G. E. Hinton. Imagenet classiļ¬cation with deep convolutional neural
networks. In Advances in Neural Information Processing Systems, pages 1097ā1105, 2012.
[15] L. Lu, X. Meng, Z. Mao, and G. E. Karniadakis. DeepXDE: A deep learning library for solving
diļ¬erential equations. arXiv preprint arXiv:1907.04502, 2019.
[16] L. Lu, Y. Shin, Y. Su, and G. E. Karniadakis. Dying ReLU and initialization: Theory and numerical
examples. arXiv preprint arXiv:1903.06733, 2019.
[17] L. Lu, Y. Su, and G. E. Karniadakis. Collapse of deep and narrow neural nets. arXiv preprint
arXiv:1808.04947, 2018.
[18] H. N. Mhaskar and N. Hahm. Neural networks for functional approximation and system identiļ¬cation.
Neural Computation, 9(1):143ā159, 1997.
[19] M. Mitzenmacher and E. Upfal. Probability and computing: randomization and probabilistic techniques
in algorithms and data analysis. Cambridge university press, 2017.
[20] G. Neofotistos, M. Mattheakis, G. D. Barmparis, J. Hizanidis, G. P. Tsironis, and E. Kaxiras. Machine
learning with observers predicts complex spatiotemporal behavior. arXiv preprint arXiv:1807.10758,
2018.
[21] G. Pang, L. Lu, and G. E. Karniadakis. fPINNs: Fractional physics-informed neural networks. SIAM
Journal on Scientiļ¬c Computing, 41(4):A2603āA2626, 2019.
[22] J. C. Patra, R. N. Pal, B. Chatterji, and G. Panda. Identiļ¬cation of nonlinear dynamic systems using
functional link artiļ¬cial neural networks. IEEE transactions on systems, man, and cybernetics, part b
(cybernetics), 29(2):254ā262, 1999.
[23] T. Qin, K. Wu, and D. Xiu. Data driven governing equations approximation using deep neural networks.
Journal of Computational Physics, 2019.
[24] M. Raissi, P. Perdikaris, and G. E. Karniadakis. Multistep neural networks for data-driven discovery
of nonlinear dynamical systems. arXiv preprint arXiv:1801.01236, 2018.
[25] F. Rossi and B. Conan-Guez. Functional multi-layer perceptron: A non-linear tool for functional data
analysis. Neural Networks, 18(1):45ā60, 2005.
[26] S. H. Rudy, S. L. Brunton, J. L. Proctor, and J. N. Kutz. Data-driven discovery of partial diļ¬erential
equations. Science Advances, 3(4):e1602614, 2017.
[27] S. Sabour, N. Frosst, and G. E. Hinton. Dynamic routing between capsules. In Advances in Neural
Information Processing Systems, pages 3856ā3866, 2017.
17
第 18 锵
[28] N. Trask, R. G. Patel, B. J. Gross, and P. J. Atzberger. GMLS-Nets: A framework for learning from
unstructured data. arXiv preprint arXiv:1909.05371, 2019.
[29] A. Vaswani, N. Shazeer, N. Parmar, J. Uszkoreit, L. Jones, A. N. Gomez, Å. Kaiser, and I. Polosukhin.
Attention is all you need. In Advances in Neural Information Processing Systems, pages 5998ā6008,
2017.
[30] N. Winovich, K. Ramani, and G. Lin. ConvPDE-UQ: Convolutional neural networks with quantiļ¬ed
uncertainty for heterogeneous elliptic partial diļ¬erential equations on varied domains. Journal of
Computational Physics, 2019.
[31] D. Zhang, L. Lu, L. Guo, and G. E. Karniadakis. Quantifying total uncertainty in physics-informed
neural networks for solving forward and inverse stochastic problems. Journal of Computational Physics,
397:108850, 2019.
[32] Z. Zhang and G. E. Karniadakis. Numerical methods for stochastic partial diļ¬erential equations with
white noise. Springer, 2017.
[33] H. Zhao and J. Zhang. Nonlinear dynamic system identiļ¬cation using pipelined functional link artiļ¬cial
recurrent neural network. Neurocomputing, 72(13-15):3046ā3054, 2009.
[34] Y. Zhu, N. Zabaras, P.-S. Koutsourelakis, and P. Perdikaris. Physics-constrained deep learning for
high-dimensional surrogate modeling and uncertainty quantiļ¬cation without labeled data. Journal of
Computational Physics, 394:56ā81, 2019.
A Neural networks to approximate nonlinear operators
We list in Table 3 the main symbols and notations that are used throughout this paper.
X
d
R
K
C(K)
V
u(x)
s(x)
f
G
(TW)
Ļ
x1, x2, . . . , xm
{
n, p
N
M
}
Table 3: Notations.
a Banach space with norm
X
(cid:107) Ā· (cid:107)
Euclidean space of dimension d
a compact set in a Banach space
Banach space of all continuous functions deļ¬ned on K with norm
a compact set in C(K)
an input function/signal
an output function/signal
a function or functional
an operator
all the Tauber-Wiener functions
an activation function
m sensor points
neural network size hyperparameters in Theorems 4 and 5
number of basis functions
value of some upper bound
f
(cid:107)C(K) = maxxāK
f (x)
|
|
(cid:107)
Let C(K) denote the Banach space of all continuous functions deļ¬ned on a compact set K
sup-norm
suļ¬cient condition of Tauber-Wiener (TW) functions [5], and the deļ¬nition of continuous operator.
X with
, where X is a Banach space. We ļ¬rst review the deļ¬nition and
|
(cid:107)C(K) = maxxāK
f (x)
|
f
(cid:107)
ā
18第 19 锵
Deļ¬nition 1 (TW). If a function Ļ : R
combinations (cid:80)N
ā
then Ļ is called a Tauber-Wiener (TW) function.
i=1 ciĻ(Ī»ix + Īøi), Ī»i
ā
R, Īøi
ā
ā
R (continuous or discontinuous) satisļ¬es that all the linear
R, i = 1, 2, . . . , N , are dense in every C([a, b]),
R, ci
Theorem 3 (Suļ¬cient condition for TW). Suppose that Ļ is a continuous function, and Ļ
(tempered distributions), then Ļ
(T W ), if and only if Ļ is not a polynomial.
ā
S(cid:48)(R)
ā
It is easy to verify that all the activation functions we used nowadays, such as sigmoid, tanh and ReLU,
are TW functions.
Deļ¬nition 2 (Continuity). Let G be an operator between topological spaces X and Y . We call G continuous
if for every (cid:15) > 0, there exists a constant Ī“ > 0 such that
G(x)
(cid:107)
ā
G(y)
(cid:107)
Y < (cid:15)
for all x, y
X satisfying
x
(cid:107)
ā
y
X < Ī“.
(cid:107)
ā
We recall the following two main theorems of approximating nonlinear continuous functionals and
operators due to Chen & Chen [5].
Theorem 4 (Universal Approximation Theorem for Functional). Suppose that Ļ
Space, K
then for any (cid:15) > 0, there are a positive integer n, m points x1, . . . , xm
i = 1, . . . , n, j = 1, . . . , m, such that
(T W ), X is a Banach
X is a compact set, V is a compact set in C(K), f is a continuous functional deļ¬ned on V ,
K, and real constants ci, θi, ξij,
ā
ā
ā
(cid:12)
(cid:12)
(cid:12)
f (u)
(cid:12)
(cid:12)
(cid:12)
n
(cid:88)
i=1
ā

ciĻ
ļ£
m
(cid:88)
j=1
ξiju(xj) + θi


(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
< (cid:15)
holds for all u
V .
ā
X, K2
Theorem 5 (Universal Approximation Theorem for Operator). Suppose that Ļ
(T W ), X is a Banach
ā
d, respectively, V is a compact set in C(K1), G
Space, K1
ā
is a nonlinear continuous operator, which maps V into C(K2), then for any (cid:15) > 0, there are positive integers
n, p, m, constants ck
K1, i = 1, . . . , n, k = 1, . . . , p, j = 1, . . . , m, such
that
d are two compact sets in X and R
R, wk
ij, Īøk
d, xj
i , ζk
R
R
ā
ā
ā
p
(cid:88)
n
(cid:88)
ck
i Ļ

ļ£
m
(cid:88)
k=1
i=1
j=1
ā

iju(xj) + Īøk
ξk
i
 Ļ(wk
y + ζk)
Ā·
< (cid:15)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
(cid:12)
ā
i , ξk
(cid:12)
(cid:12)
(cid:12)
G(u)(y)
(cid:12)
(cid:12)
(cid:12)
holds for all u
V and y
K2.
ā
ā
Both Theorems 4 and 5 require the compactness of the function space.
In fact, the function space
like C([0, 1]) is ātoo largeā for real applications, so it is suitable to consider a smaller space with com-
pactness property. The necessary and suļ¬cient conditions of the compactness are given by the following
ArzelĆ āAscoli Theorem.
Deļ¬nition 3 (Uniform Boundedness). Let V be a family of real-valued functions on the set K. We call V
uniformly bounded if there exists a constant M such that
for all f
ā
V and all x
K.
ā
f (x)
|
| ā¤
M
19
第 20 锵
Deļ¬nition 4 (Equicontinuity). Let V be a family of real-valued functions on the set K. We call V
equicontinuous if for every (cid:15) > 0, there exists a Ī“ > 0 such that
for all f
V and all x, y
K satisfying
x
ā
ā
f (x)
|
f (y)
|
< (cid:15)
ā
< Ī“.
y
|
|
ā
Theorem 6 (ArzelĆ āAscoli Theorem). Let X be a Banach space, and K
X be a compact set. A subset
V of C(K) is pre-compact (has compact closure) if and only if V is uniformly bounded and equicontinuous.
ā
B Number of sensors for identifying nonlinear dynamic systems
Lemma 7. W := (cid:83)ā
i=1 Wi is compact.
Proof. At ļ¬rst, we prove that W is pre-compact. For any ε > 0, by (4), there exists an m0 such that
u
(cid:107)
m(u)
C <
(cid:107)
ā L
ε
4
,
u
ā
ā
V,
m > m0.
ā
Since Wm0
is a compact set subject to equicontinuity, there exists a Ī“ > 0 such that
x
|
y
|
ā
< Ī“
u(x)
ā |
ā
Now for all u
otherwise, u
W and all x, y
y
ā
|
(cid:83)ā
i=m0+1 Ui. Suppose that u =
[a, b],
x
|
ā
ā
ā
L
u(y)
<
ε
2
|
< Ī“, if u
,
u
ā
Wm0
ā
m(v), m > m0, v
Wm0,
x, y
ā
ā
, naturally we have
ā
[a, b].
u(x)
V , then there holds
|
ā
u(y)
|
ā
< ε
2 < ε,
u(x)
|
ā
u(y)
|
u(x)
=
|
v(x) + v(x)
v(y) + v(y)
ā
m(v)(x)
m(v)
(cid:107)L
ε
ε
2
4
+
Ā·
ā¤|L
2
ā¤
<2
ā
v
v(x)
|
C +
ā
(cid:107)
= ε,
|
ā
+
v(x)
|
v(x)
ā
v(y)
ā
v(y)
|
|
u(y)
|
ā
+
|L
m(v)(y)
v(y)
|
ā
which shows the quicontinuity of W . In addition, it is obvious that W is uniformly bounded, so that we
know W is pre-compact by applying the ArzelĆ āAscoli Theorem.
Next we show that W is close. Let
If there exists an m such that
W be a sequence which converges to a w0
C[a, b].
W . Otherwise, there is a subsequence
Wm
ā
in(vin)
}
{L
of
wi
{
}
{
wi
such that vin ā
w0
vin ā
(cid:107)
ā
wi
i=1 ā
{
}
Wm, then w0
} ā
V and in
(cid:107)
ā ā
vin ā L
C =
(cid:107)
vin ā L
Īŗ(in, V ) +
ā¤(cid:107)
ā
as n
ā ā
ā
. Then we have
in(vin) +
L
in(vin)
C +
(cid:107)
in(vin)
(cid:107)L
in(vin)
w0
ā
in(vin)
C,
w0
(cid:107)
(cid:107)L
ā
(cid:107)
C
w0
C
(cid:107)
ā
ā¤
which implies that w0 = limnāā vin ā
V
W .
ā
Next we show the proof of Theorem 2.
Proof. For u
V and um
ā
ā
Um, according to the bound (4) and the Lipschitz condition, we can derive that
(Gu)(d)
(cid:107)
(Gum)(d)
(cid:107)
2
ā
(cid:90) d
a (cid:107)
(cid:90) d
a (cid:107)
c
c
ā¤
ā¤
(Gu)(t)
(Gum)(t)
(cid:107)
ā
2dt + c
u(t)
a |
um(t)
dt
|
ā
(cid:90) d
(Gu)(t)
(Gum)(t)
(cid:107)
ā
2dt + c(b
ā
a)Īŗ(m, V ).
20第 21 锵
By Gronwall inequality, we have
(Gu)(d)
(cid:107)
(u(x0), u(x1),
{
(Gum)(d))
2
ā¤
(cid:107)
m+1
ā
, u(xm))
ā
V
Deļ¬ne Sm =
R
is a bijective mapping between Sm and Um. Furthermore, we deļ¬ne a vector-valued function on Sm by
Ā· Ā· Ā·
ā
ā
}
which is a compact set in R
m+1, and there
u
|
c(b
a)Īŗ(m, V )ec(bāa).
Ā· Ā· Ā·
For any ε > 0, make m large enough so that c(b
theorem of neural network for high-dimensional functions, there exist
ā
Ļ(u(x0), u(x1),
, u(xm)) = (Gum)(d).
a)Īŗ(m, V )ec(bāa) < ε. By universal approximation
1
W
ā
nĆ(m+1), b1
R
m+1,
R
ā
2
W
ā
, u(xm))
(
2
W
Ā·
ā
Ļ(
1
W
Ā·
[u(x0)
Ā· Ā· Ā·
u(xm)]T +b1)+b2)
2 < ε
(cid:107)
ā
c(b
ā
a)Īŗ(m, V )ec(bāa).
K, such that
R
R
KĆn, b2
ā
Ļ(u(x0),
(cid:107)
Ā· Ā· Ā·
Hence we have
(cid:107)
(Gu)(d)
(Gu)(d)
ā
Ļ(
(
1
2
Ā·
W
Ā·
W
2 +
(Gum)(d)
(cid:107)
a)Īŗ(m, V )ec(bāa) + ε
ā
ā¤(cid:107)
<c(b
ā
[u(x0)
Ā· Ā· Ā·
(Gum)(d)
(cid:107)
c(b
ā
ā
u(xm)]T + b1) + b2)
(cid:107)
[u(x0)
(
2
W
1
W
Ļ(
Ā·
a)Īŗ(m, V )ec(bāa) = ε.
ā
Ā·
2
u(xm)]T + b1) + b2)
(cid:107)
2
Ā· Ā· Ā·
In summary, by choosing the value of m so that it makes c(b
to achieve accuracy ε.
a)Īŗ(m, V )ec(bāa) less than ε is suļ¬cient
ā
C Gaussian random ļ¬eld with the radial-basis function kernel
Suppose that X(t)
X(t) = ā2(Ļ)
1
4
ā¼ G
(cid:90)
(0, exp(
ā
|xāy|2
l2
)). Then
1
2 cos(Ļt) exp(
ā
l2Ļ2
8
)dW (Ļ)
ā
ā2(Ļ)
1
4
(cid:90)
(l)
R+
1
2 sin(Ļt) exp(
ā
l2Ļ2
8
)dB(Ļ),
(l)
R+
where W and B are independent standard Brownian motions [32]. Apply the change of variable Ī» = lĻ and
write X(t) as
X(t) = ā2(Ļ)
(cid:90)
1
4
R+
cos(
Ī»
l
t) exp(
ā
λ2
8
)dW (Ī»)
ā
(cid:90)
ā2(Ļ)
1
4
R+
sin(
Ī»
l
t) exp(
ā
λ2
8
)dB(Ī»).
Applying a linear interpolation Ī 1 on the interval [ti, ti+1], then
E[(X(t)
ā
Ī 1X(t))2] = 2(Ļ)
(cid:90)
1
2
((I
R+
(cid:90)
1
2
ā
((I
Ī 1) cos(
Ī»
l
t))2 exp(
ā
λ2
4
)dĪ»
Ī 1) sin(
Ī»
l
t))2 exp(
ā
λ2
4
)dĪ»
(
Ī»
l
)4 exp(
ā
λ2
4
)dĪ»
+ 2(Ļ)
(Ļ)
1
2 (ti+1
ā¤
R+
ti)4
ā
= 24Ļ
(ti+1
ti)4
,
ā
l4
ā
(cid:90)
R+
where we recalled the error estimate of the linear interpolation on [a, b] (by Taylorās expansion)
(I
|
ā
Ī 1)g(t)
1
2
=
|
(b
a)2
f (cid:48)(cid:48)(ξ)
|
,
|
ā
21第 22 锵
where ξ lies in between a and b. Then by the Borel-Cantelli lemma, we have
X(t)
|
ā
Ī 1X(t)
| ā¤
ti)2ā(cid:15)
(ti+1
C
ā
l2
,
(cid:15) > 0,
where C is an absolute value of a Gaussian random variable with a ļ¬nite variance. Therefore, taking a
piecewise linear interpolation of X(t) with m points will lead to convergence with order
m2l2 ).
( 1
O
22
第 23 锵
ļ¼ę¬é”µę ęę¬å
容ļ¼