Structure-Preserving Discretization of Fractional Vector Calculus using Discrete Exterior Calculus

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Structure-Preserving Discretization of Fractional Vector Calculus
using Discrete Exterior Calculus
Alon Jacobsona, Xiaozhe Hua,
aDepartment of Mathematics, Tufts University, Medford, 02155, MA, USA
Abstract
Fractional vector calculus is the building block of the fractional partial differential equations
that model non-local or long-range phenomena, e.g., anomalous diffusion, fractional elec-
tromagnetism, and fractional advection-dispersion. In this work, we reformulate a type of
fractional vector calculus that uses Caputo fractional partial derivatives and discretize this
reformulation using discrete exterior calculus on a cubical complex in the structure-preserving
way, meaning that the continuous-level properties curlαgradα=0and divαcurlα= 0 hold
exactly on the discrete level. We discuss important properties of our fractional discrete ex-
terior derivatives and verify their second-order convergence in the root mean square error
numerically. Our proposed discretization has the potential to provide accurate and stable nu-
merical solutions to fractional partial differential equations and exactly preserve fundamental
physics laws on the discrete level regardless of the mesh size.
Keywords: Fractional vector calculus, Discrete exterior calculus, Structure-preserving
discretization, Fractional partial differential equations
2020 MSC: 65M99, 65N99, 26A33, 35R11
1. Introduction
Fractional calculus generalizes the integer order integration and differentiation to non-
integer order. Unlike standard derivatives and integrals, fractional derivatives and integrals
are non-local operators, enabling them to model long-range dependence. In this work, we
focus on fractional vector calculus (FVC), which analogously extends the vector calculus to
fractional order. Fractional calculus and FVC are widely used in fractional partial differential
equations (FPDEs), which recently have a wide range of new scientific and engineering
applications. For example, fractional diffusion equations model anomalous diffusion [1, 2, 3,
4, 5], fractional Maxwell’s equations generalize Maxwell’s equations to fractional order [6,
7, 8], fractional advection-dispersion equations describe subsurface transport [9, 10, 11, 12],
fractional Laplacians are used in image processing [13], fractional differential equations are
used in finance [14], and a fractional gradient has been used for fractional backpropagation
in training neural networks [15].
Corresponding author
Email addresses: Alon.Jacobson@tufts.edu (Alon Jacobson), Xiaozhe.Hu@tufts.edu (Xiaozhe Hu)
arXiv:2210.11175v3 [math.NA] 26 Jan 2024
There are various definitions of FVC, each with their own strengths and weaknesses.
Many approaches use a fractional partial derivative in each coordinate direction to construct
a fractional nabla operator. Other approaches use an anisotropic mixture of fractional di-
rectional derivatives in each direction via an integral, while still other approaches use an
isotropic mixture of function values throughout Euclidean space to define the operators.
Due to the complexity of FPDEs, the solutions cannot usually be computed symbolically,
so numerical approximations are essential for solving them. Various finite-element and finite-
difference methods have been developed for the discretization of FVC to be used in solving
these FPDEs, with techniques including finite-difference methods [16], the discretization
of fractional directional derivatives [17, 18, 10], spectral decompositions [19] and physics-
informed neural networks [10].
When solving PDEs and FPDEs numerically, some consideration must be given to com-
putational efficiency (i.e., how much time or computer memory is required), as well as the
accuracy of the solution obtained (i.e., how close the numerical approximation is to the true
solution). Another property that is often desirable is to have chosen continuous-level prop-
erties of the model be satisfied exactly in its discretization. Such discretizations are termed
structure-preserving. One possible structure to preserve is to preserve the de Rham exact se-
quence, which essentially means preserving the vector calculus identities curl grad f=0and
div curl F= 0 exactly in the discretization. The de Rham exact sequence plays an important
role in many physical laws, such as incompressibility and Gauss’s law of magnetism.
One way to preserve this de Rham exact sequence is by using discrete exterior calculus
(DEC). DEC is a computational toolkit that creates discrete operators and definitions that
are analogous to the corresponding operators from multivariate calculus. It has recently
been gaining popularity as a tool for developing numerical methods for solving PDEs in
computational simulations, such as mechanics problems [20], Lie advection [21], and compu-
tational fluid dynamics [22]. In addition to being used as a structure-preserving finite-element
method, DEC is also widely used in other areas such as computer graphics applications [23]
and geometry processing applications [24].
In DEC, the discrete exterior derivative operator,Dp, is the discrete version of grad, curl,
and div for p= 0, p= 1, and p= 2, respectively. Dpis a np+1 ×npmatrix, where npis the
number of p-cells in the complex (for more detail, see Section 2.3). DEC preserves the de
Rham exact sequence because the discrete exterior derivative operators satisfy Dp+1Dp= 0
for p0, which is the discrete version of curl grad f=0and div curl F= 0 for p= 0 and
p= 1, respectively.
Many types of fractional vector calculus possess an analogous exact sequence curlαgradαf=
0and divαcurlαF= 0. However, to the best of our knowledge, no discretization of FPDEs
or FVC preserves this exact sequence. Additionally, despite the usefulness of DEC and the
applicability of fractional calculus and fractional vector calculus, there is rarely any work
on formulating a fractional discrete exterior calculus (FDEC), which generalizes DEC to a
fractional order.
To the best of our knowledge, the only existing work on FDEC is [25], which considered
the following “two-sided” fractional Caputo derivative of order α(0,1) of a function
fC1[a, b] in 1D:
Dαf(x) := 1
Γ(1 α)Z[a,b]\{x}
f(τ)
|xτ|α. (1)
2
[25] then defined a fractional discrete exterior derivative by discretizing (1), and then gen-
eralizing the resultant discrete operator to higher dimensions. This results in the following
np+1 ×npmatrix,
Dα
p=W1α
p+1 Dp,
where W1α
p+1 Rnp+1×np+1 is a straightforward generalization of the discretization of the
fractional integration of order 1αpresent in (1) to higher dimensions. (Dα
0is a discretization
of (1) when the complex is one-dimensional.) Unfortunately, the FDEC introduced in [25]
does not satisfy the fractional generalization of the property Dp+1Dp= 0, i.e., Dα
p+1Dα
p̸=
0. Therefore, even if it is a discretization of some type of FVC, it cannot possibly be a
discretization that preserves a fractional de Rham exact sequence. Furthermore, in [25],
since the FDEC in the higher dimensional case is obtained directly from the 1D case, it is
not clear whether it is indeed a discretization of any FVC anymore in higher dimensions,
which may limit its potential in numerical simulations involving FPDEs in higher dimensions.
Indeed, while numerical experiments verified the expected result that Dα
0converges to Dα
in one dimension, convergence in higher dimensions was not shown; although the authors
compared Dα
0to a 2-sided Caputo gradient field of a scalar-valued function in 2-d, convergence
with decreasing mesh size was not shown in this case. This is understandable, since due to
their definition of the fractional discrete exterior derivative, one would not expect that Dα
0
should converge to this fractional gradient field.
1.1. Contributions
Our goal in this work is to define an FDEC that does not suffer the abovementioned
problems. Namely, we want our FDEC operators to (1) be direct discretizations of a type
of FVC that possesses the exact sequence curlαgradα=0and divαcurlα= 0, and (2) be
structure-preserving, by having the corresponding exact sequence Dα
p+1 Dα
p= 0. Both of
these properties are achieved by rewriting the operators from a type of FVC that does have
the exact sequence (namely, one defined by a fractional nabla operator) as compositions of
fractional integration and exterior derivatives on the continuous level, and then discretizing
these composite operators using DEC on a regular cubical complex. This results in the
following fractional discrete exterior derivative operators,
Dα
p=I1α
p+1 Dp(I1α
p)1, p = 0,1,2,0< α < 1,
where the matrix I1α
pis a discretization of p-dimensional fractional integration of order 1α
on the p-cells.
By discretizing a type of FVC, these operators can be implemented in software and
open doors for numerically solving FPDEs. Furthermore, since our approach is structure-
preserving – satisfying the continuous-level properties curlαgradα=0and divαcurlα= 0
exactly on the discrete level – our proposed FDEC operators have high accuracy in discretiz-
ing the corresponding continuous operators and behave similarly even at coarse mesh sizes,
and can potentially increase the fidelity of numerical solutions to FPDEs. In addition, unlike
the usual dense matrices obtained from discretizing the fractional derivatives, the matrices
involved in our discretization are relatively sparse, which enables fast computations. Finally,
since these operators are extensions of DEC, they can provide fractional generalizations of
applications that use DEC.
3
1.2. Outline
An outline of the paper is as follows. In Section 2, we recall fractional calculus, fractional
vector calculus, and discrete exterior calculus. In Section 3, we present and prove our
reformulation of Tarasov’s FVC and describe its discretization. In Section 4, we show the
convergence of our FDEC to Tarasov’s FVC numerically, and finally we summarize our work
and suggest possible future work in Section 5.
2. Preliminaries
In this section, we briefly recall fractional calculus first, and then introduce the fractional
vector calculus and discrete exterior calculus, which are the building blocks of our FDEC.
2.1. Fractional calculus
First, we discuss fractional calculus. There are many different definitions. This paper
focuses on the Riemann-Liouville fractional integral and the Caputo and Riemann-Liouville
fractional derivatives. Rather than defining the usual fractional integrals and derivatives,
below we define “partial” fractional integrals and derivatives of a scalar-valued function of
multiple variables, f: Ω R, where Ω = [x1
min, x1
max]× · · · × [xm
min, xm
max]Rm. This
generalizes the usual definitions, in the sense that if m= 1, then these definitions reduce to
the usual one-dimensional definitions. Furthermore, definitions of partial fractional integrals
and derivatives that are essentially the same as the ones we will define can be found in [26].
2.1.1. Fractional integrals and derivatives
For a real number α > 0 and a real-valued function g: [a, b]R, the left-sided Riemann-
Liouville fractional integral of order αis defined as follows:
aIα
x[x]g(x) = 1
Γ(α)Zx
a
dx
(xx)1αg(x) (axb)
where Γ(·) denotes the gamma function. Similarly, the left-sided Riemann-Liouville partial
fractional integral with respect to coordinate xjfrom ato bof order αof a function f: Ω R
is defined as follows:
aIα
b,xj[x]f:= aIα
b[x]f(x1, . . . , xj1, x, xj+1, . . . , xm)
=1
Γ(α)Zb
a
f(x1, . . . , xj1, x, xj+1, . . . , xm)
(bx)1αdx,(xj
min abxj
max).
Also, we define
Iα
xjf(x1, . . . , xm) := xj
min
Iα
xj,xj[x]f.
Next, we recall the left-sided Riemann-Liouville derivative and the left-sided Caputo deriva-
tive. If we let Dn
xjdenote the nth partial derivative with respect to coordinate xj(we drop
the superscript when n= 1), then the left-sided Riemann-Liouville fractional partial deriva-
tive of fwith respect to coordinate xjat a point (x1, . . . , xm) of order α0 is defined as,
for n=α+ 1,
RLDα
xjf:= Dn
xjInα
xjf=1
Γ(nα)
xjnZxj
xj
min
f(x1, . . . , xj1, x, xj+1, . . . , xm)
(xjx)1(nα)dx.
4
Naturally, RLDk
xjf=Dk
xjfif kN0:= {0,1,2, . . . }.
Similarly, for 0 < α /N0, the left-sided Caputo fractional partial derivative with respect
to coordinate xjof order αis defined as, for n=α+ 1,
CDα
xjf:= Inα
xjDn
xjf=1
Γ(nα)Zxj
xj
min
Dn
xjf(x1, . . . , xj1, x, xj+1, . . . , xm)
(xjx)1(nα)dx.
Otherwise, for integer orders, we define CDk
xjf:= Dk
xjffor α=kN0.
2.1.2. Fractional calculus identities
Here we will present some identities involving the fractional derivatives and integrals de-
fined above that will be used in this work. The first such identity is named the “fundamental
theorem of fractional calculus” (FTFC) by [6], which generalizes the fundamental theorem
of calculus to fractional order. Only the first part of the FTFC will be presented, since the
other part is not necessary for the results of this paper.
The first part of the FTFC states that both the Caputo and Riemann-Liouville derivatives
are left inverse operators of the Riemann-Liouville integration operator from the left. This
generalizes the well-known formula d
dx Rx
af(t)dt =f(x).
Lemma 1. Let f: Ω RmRbe continuous and let α > 0. Then at any point
(x1, . . . , xm)and any j= 1, . . . , m,
RLDα
xjIα
xjf=fand CDα
xjIα
xjf=f.
Proof. Since fis continuous, it is continuous in each variable separately. Then the first
equality follows from Lemma 2.4 on page 74 and Lemma 2.9 (b) on page 77 of [26], and the
second equality follows from Lemma 2.21, part (a) on page 95 of [26].
We also have the following result which will be used later:
Lemma 2. Let f: Ω RmRbe continuous and let α(0,1). Then at any point
(x1, . . . , xm)and any j= 1, . . . , m,
Iα
xj
RLDα
xjf=f.
Proof. The proof uses the FTFC (Lemma 1) presented above:
Iα
xj
RLDα
xjf=Iα
xjDxjI1α
xjf=CD1α
xjI1α
xjf=f.
The third identity that we will present is that the Riemann-Liouville fractional integral
satisfies the so-called semigroup property:
Lemma 3 (Theorem 2.2, [27]).Let f: Ω RmRbe continuous and let α > 0,β > 0.
Then for any j= 1, . . . , m and any a, b [xj
min, xj
max]with ab,
aIα
b[x]aIβ
x,xj[x′′]f=aIα+β
b,xj[x]f.
5
摘要:

Structure-PreservingDiscretizationofFractionalVectorCalculususingDiscreteExteriorCalculusAlonJacobsona,XiaozheHua,∗aDepartmentofMathematics,TuftsUniversity,Medford,02155,MA,USAAbstractFractionalvectorcalculusisthebuildingblockofthefractionalpartialdifferentialequationsthatmodelnon-localorlong-rangep...

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