Data-driven ODE modeling
Data-driven ODE modeling
model
Natsuki Tsutsumi
Faculty of Commerce and Management, Hitotsubashi University, Tokyo 186-8601, Japan
Kengo Nakai
The Graduate School of Environment, Life, Natural Science and Technology, Okayama University, Okayama 700-0082, Japan
Yoshitaka Saiki
Graduate School of Business Administration, Hitotsubashi University, Tokyo 186-8601, Japan
arXiv:2409.00668v2 [nlin.CD] 10 Nov 2024
Introduction. We are often eager to identify a dynami- estimated a system of ODEs from the time series of all vari-
cal system model that generates observable time series data. ables of the background system. Other investigations [21–23]
Many systems that describe physical phenomena have been have derived a system of ODEs using an observable variable
found since the finding of the equation of motion. In decades, and its time derivatives as the model variables. In these stud-
various methods have been proposed that estimate a dy- ies, prior knowledge of the background dynamics was used
namical system describing observed data combining physi- to choose basis functions for the regression; however, this
cal knowledge and machine learning techniques. Chorin et method is not appropriate for some practical purposes 1 .
al [1] proposed a method to describe unknown partial dynam- Recently, we proposed a simple method for constructing
ics that are not described by equations of physical systems. a system of ODEs for chaotic behavior based on regres-
Physics-informed machine learning methods [2–4] construct sion using only observable deterministic scalar time series
a model by supposing physical conditions that a system gen- data [24, 25], referred to as the radial function-based regres-
erating time series is expected to have. Sometimes, we do not sion (RfR) method. The RfR method constructs a model de-
have any physical knowledge of a system that generates time scribing the dynamics of a time series in a space made only
series. Several approaches have been proposed concerning from understandable variables without background knowl-
modeling dynamics using machine learning from given time edge. For the regression, we employ the delay coordinate
series data without physical knowledge. The dynamic mode of the observable variable and spatially localized radial basis
decomposition [5] is a method to derive macroscopic features functions in addition to polynomial basis functions. The in-
and estimate a dynamical system of the variables. Reservoir troduction of the localized functions leads to higher computa-
computing [6–9] is a recurrent neural network with low com- tional costs than that of some other methods such as reservoir
putational cost. These methods usually model a continuous computing. The method’s forecasting capability is not limited
dynamical system as discrete-time, not differential equations. to a short time series but also to a density distribution created
Note that a model constructed using reservoir computing is using a long time series. We can generate a long trajectory
commonly a discrete-time system, but there are some types of of the model using the Stagger-and-Step method [26] when
reservoir computing using differential equations to describe the appropriate model trajectory is realized on a chaotic set of
the dynamics of the reservoir states [12]. the model that is not an attractor. This RfR method functions
In some studies, a system of ordinary differential equations even when observable variables are obtained from an infinite-
(ODEs) is constructed to describe the dynamics of determin- dimensional system such as partial differential equations and
istic time series. Neural ODE [13] recently attracted much at- delay differential equations [25].
tention for using a neural network to model ODE. The method Regardless of the modeling method, some types of complex
based on the theory of the Koopman operator [14–16] projects time series governed by dynamics with multiscale structures
the phase space to an infinite dimensional space to construct
a model as a linear system. There are studies to make a sim-
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ple and understandable model of ODEs in a finite dimensional In some situations, prior knowledge of the background dynamics can be
space without a neural network. Several studies [17–20] have obtained and the modeling with the knowledge is useful [10, 11].
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and/or high Lyapunov dimensions are difficult to model. In a system of ODEs, which is referred to as the fiber model.
the case of a fluid flow, direct modeling of high-frequency In this section, we briefly review the RfR method for con-
variable dynamics is not practically easy, even if the delay structing the base model and explain the method used for the
coordinate of the observable variable is used. To model high- targeted variable in detail. Finally, a method to generate a nu-
frequency variable dynamics, a method using a low-frequency merical trajectory from the estimated system is explained. To
variable is effective [7]. In this study, we first model the dy- describe the dynamics of a targeted observation y(t), we con-
namics of a low-frequency variable using only the time se- struct a joint model composed of base and fiber models.
ries data of the variable and its delay coordinate. Next, we Base model. The first part of the joint model describes
construct a model that predicts the dynamics of the high- the dynamics of the base variable x. It is constructed from
frequency variable from that of the low-frequency variable. scalar time series data of x(t) using the RfR method [24].
The set of the constructed models succeeds in describing the In the RfR method, the delay coordinate is employed to de-
dynamics of the high-frequency variable. This approach in- scribe chaotic behavior using only a scalar observable time
volving modeling via other variables is effective for dealing series. We estimate a D-dimensional system of ODEs of the
with complex dynamics. Abarbanel et al. [27] introduced a variable X = (X1 , X2 , . . . , XD ), which almost satisfies the
method to construct a function describing the targeted vari- delay structures among components of the variable:
ables depending on the delay coordinate of another variable.
By applying the proposed method and adopting spatially lo- X1 (t) ≈ X2 (t + τ ) ≈ · · · ≈ XD (t + (D − 1)τ ), (1)
calized functions, we construct ODEs that describe the tar-
geted variable using mainly the delay coordinate of a different where X1 is considered to describe the dynamics of x and τ
variable. is the delay time. See [24] for details concerning the choice
of τ . The model
We introduce a variant of the RfR method, which first mod-
els the simple coherent dynamics of a certain variable using dX
the RfR method, and this system is then used to model the = F (X), (2)
dt
complex and sometimes intermittent dynamics of a targeted
variable. The proposed method is referred to as the joint is constructed, where F (X) is formulated by
RfR method. This method enables the construction of a sys- X X
tem of ODEs describing the complex time series using only F (X) = β 0 + β d Xd + β D+j φj (X), (3)
physically understandable variables, and it dramatically en- d=1,··· ,D j=1,··· ,J
larges the capabilities of methods for constructing data-driven
−||X−cj ||2
ODEs. We describe the joint RfR method and demonstrate where φj (X) = exp σ2 , and the paramters cj (j =
its validity by applying it to two examples. The first involves 1, · · · , J) are distributed as lattice points and σ is the standard
the time series of the Rössler equation, which is a well-known deviation of the Gaussian distribution. The model coefficients
chaotic system. The second concerns the time series of the βi (i = 1, · · · , D+J) are determined using the time derivative
energy function of a chaotic fluid flow. The proposed method at each sample point estimated by the Taylor approximation.
succeeds in describing the connection between the two types See [24] for more details concerning this process.
of time series of a single dynamical system, although their It should be noted that if we can observe a time series of the
behaviors are quite different. base variable, the base modeling process is not required, and
Modeling Method. We aim to achieve a data-driven con- a fiber model may be directly constructed to predict the time
struction of a system of ODEs for describing the relatively series of the targeted variable.
complex deterministic dynamics of a targeted variable. For Fiber model. With the knowledge of the variable X ob-
this purpose, we assume that we can observe a time series of tained from the base model, we next construct a model de-
two variables showing simple and relatively complex dynam- scribing the dynamics of the targeted variable y. For a given
ics. Because directly modeling the targeted variable’s dynam- delay time τ̂ (> 0), we construct a system of two-dimensional
ics is difficult, we first construct a relatively simple dynamics ODEs of the variable Y = (Y1 , Y2 ), which is expected to sat-
model and use it to model the targeted variable’s dynamics as isfy the delay structures among components of the variable:
the skew-product-type ODE, as described in figure 1. When Y1 (t) ≈ Y2 (t + τ̂ ). The relationship will be used for gener-
the dimension of the delay coordinate for a variable show- ating an appropriate numerical trajectory. Using the variable
ing relatively moderate dynamics is sufficiently high, invari- X of the base model, we form the ODEs describing Y as
ant sets of the original system are reconstructed in the base follows:
model [28]. The relatively complex dynamics of the origi-
nal system are almost completely reconstructed by the base dY
= aY1 + G(X), (4)
model. The fiber model picks up the dynamics of the targeted dt
variable from the base model. The skew-product-type ODE X X
is expected to demonstrate relatively complex dynamics. We where G(X) = γ 0 + γ d Xd + γ D+j φj (X),
use the RfR method [24] to estimate the base model describ- d=1,...,D j=1,...,J
ing the relatively simple variable x(t) (i.e., the base variable), and γ i and a is the model coefficients and φj is the same as
and the new method is applied to modeling the relatively com- that in Eq. (3), which means that cj of φj are distributed as
plex dynamics of a variable y(t) (i.e., the targeted variable) as lattice points for X. The model coefficients γ i and a are de-
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FIG. 1. Outline of the joint RfR method for constructing a joint model composed of the base and fiber models. The proposed method
constructs a system of ODEs that infer the time series of two variables x(t) and y(t) from only their observable time series data, where
x(t) = g1 (p) and y(t) = g2 (p) for some functions g1 and g2 , and p is determined by some unknown dynamical system dp dt
= f (p). Using
the time series of x(t) that shows relatively simple dynamics, we construct a “base model” using a system of ODEs of a variable X composed
of x and its time delay variables employing the RfR method [24, 25]. The relatively complex behavior of the y variable is described as fiber
dynamics using a system of skew-product-type ODEs of a variable Y composed of y, its time delay variables, and the variable X of the “base
model.” The constructed model for the fiber dynamics is called the “fiber model”. Here the first component of the variables X and Y are X1
and Y1 , respectively.
termined via the time series data using ridge regression. This on a chaotic saddle of the model constructed using the RfR
formulation and the introduction of the linear term Y1 into (4) method employing the Stagger-and-Step method [26]. The ap-
are important for modeling complex dynamics with restricted propriateness of a trajectory is determined by the delay struc-
computational resources. In the above formulation, we can ture (1) along a trajectory. To generate a long trajectory of the
avoid distributing center points in the delay coordinate of the base model, we employ the Stagger-and-Step method when
targeted variable. See Supplemental Material 1 for the ex- the chaotic invariant set of the model is a saddle. We also ap-
planation of the linear term. When we estimate the model ply the idea of this Stagger-and-Step method to the given fiber
coefficients, we use the time series of the delay coordinate model (4).
(y(t), y(t − τ̂ )) as that of Y (t). See [24] for more details con- To generate a trajectory from the estimated fiber model (4),
cerning this estimation. The appropriate delay time depends The time series of the variable of the base model X(t) is
on the frequency of the time series, and the delay time τ for required. When the time series X(t) is given, we can in-
the base model and the delay time τ̂ for the fiber model need terpret the fiber model (4) as a linear system of Y with a
not be the same. In our examples, τ̂ should be chosen to be time depending external force G(X(t)). Using the descrip-
smaller than τ . tion of a solution of a linear system, the solutions of the
Generation of a model trajectory. Here, we introduce a fiber model (4) can be analytically described. The appro-
method for estimating a numerical trajectory without detailed priateness of a model trajectory is quantified by the delay
information for the variable y. In some data-driven models, an structure ∆(t) := Y1 (t) − Y2 (t + τ̂ ), which is written as
appropriate trajectory is not on its chaotic attractor but on its ∆(t) = C(t)Y1 (0) − Y2 (0) + M (t), where C(t) and M (t)
chaotic saddle. A chaotic saddle is a chaotic invariant set that do not depend on Y1 (0) and Y2 (0). Note that this form is a
does not attract some neighborhoods. The bias and the short- linear equation for Y1 (0) and Y2 (0). The appropriate trajec-
age of learning data can easily cause the situation. Even when tory of the fiber model (4) should satisfy ∆(t) ≈ 0 for any t.
a model trajectory is realized on a chaotic saddle, a short- Suppose ∆(0) = 0 and ∆(t∗ ) = 0 for some given t∗ > 0,
term numerical trajectory via the forward integration of the then Y1 (0) and Y2 (0) can be obtained only from the ODEs
model mimics that of the actual well, but a long-term trajec- of Eq. (4) (see Supplemental Material 2 for more detail). By
tory diverges. In [25], instead of using the simple forward applying this approach, we can estimate a model trajectory
integration, we generate an appropriate numerical trajectory corresponding to the targeted observation y(t).
4
D τ J τ̂ t∗
Rössler 3 0.60 7,716 0.40 0.60
Fluid flow 7 2.00 832,291 1.00 1.50
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of Sciences 112, 9804 (2015). [3] M. Raissi, P. Perdikaris, and G. E. Karniadakis, Journal of Com-
[2] G. E. Karniadakis, I. G. Kevrekidis, L. Lu, P. Perdikaris, putational physics 378, 686 (2019).
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structed model includes the estimation and numerical errors, K(t) = e−a1 s G1 (s)ds,
0
which means that the estimated model can be described as Z t