PINNeikEikonal Solution Using Physics-Informed Neural Networks
PINNeikEikonal Solution Using Physics-Informed Neural Networks
A R T I C L E I N F O A B S T R A C T
Keywords: The eikonal equation is utilized across a wide spectrum of science and engineering disciplines. In seismology, it
Eikonal equation regulates seismic wave traveltimes needed for applications like source localization, imaging, and inversion.
Physics-informed neural networks Several numerical algorithms have been developed over the years to solve the eikonal equation. However, these
Seismic modeling
methods require considerable modifications to incorporate additional physics, such as anisotropy, and may even
Traveltimes
breakdown for certain complex forms of the eikonal equation, requiring approximation methods. Moreover, they
suffer from computational bottleneck when repeated computations are needed for perturbations in the velocity
model and/or the source location, particularly in large 3D models. Here, we propose an algorithm to solve the
eikonal equation based on the emerging paradigm of physics-informed neural networks (PINNs). By minimizing a
loss function formed by imposing the eikonal equation, we train a neural network to output traveltimes that are
consistent with the underlying partial differential equation. We observe sufficiently high traveltime accuracy for
most applications of interest. We also demonstrate how the proposed algorithm harnesses machine learning
techniques like transfer learning and surrogate modeling to speed up traveltime computations for updated ve
locity models and source locations. Furthermore, we use a locally adaptive activation function and adaptive
weighting of the terms in the loss function to improve convergence rate and solution accuracy. We also show the
flexibility of the method in incorporating medium anisotropy and free-surface topography compared to con
ventional methods that require significant algorithmic modifications. These properties of the proposed PINN
eikonal solver are highly desirable in obtaining a flexible and efficient forward modeling engine for seismological
applications.
1. Introduction intensity values in 2D images (Rouy and Tourin, 1992), image denoising
(Malladi and Sethian, 1996), segmentation (Alvino et al., 2007), and
The eikonal (from the Greek word εικων = image) equation is a first- registration (Cao et al., 2004). In robotics, the eikonal equation is
order non-linear partial differential equation (PDE) encountered in the extensively used for optimal path planning and navigation, e.g., for
wave propagation and geometric optics literature. It was first derived by domestic robots (Ventura and Ahmad, 2014), autonomous underwater
Sir William Rowan Hamilton in the year 1831 (Masoliver and Ros, vehicles (Petres et al., 2007), and Mars Rovers (Garrido et al., 2016). In
2009). The eikonal equation finds its roots in both wave propagation computer graphics, the eikonal equation is used to compute geodesic
theory and geometric optics. In wave propagation, the eikonal equation distances for extracting shortest paths on discrete and parametric sur
can be derived from the first term of the Wentzel-Kramers-Brillouin faces (Spira and Kimmel, 2004; Raviv et al., 2011). In semi-conductor
(WKB) expansion of the wave equation (Paris and Hurd, 1969), manufacturing, the eikonal equation is used for etching, deposition,
whereas in geometric optics, it can be derived using Huygen’s principle and lithography simulations (Helmsen et al., 1996; Adalsteinsson and
(Arnold, 2013). Sethian, 1996). Furthermore, and of primary interest to us, the eikonal
Despite its origins in optics, the eikonal equation finds applications equation is routinely employed in seismology to compute traveltime
in many science and engineering problems. To name a few, in image fields needed for many applications, including statics and moveout
processing, it is used to compute distance fields from one or more points correction (Lawton, 1989), traveltime tomography (Guo et al., 2019),
(Adalsteinsson and Sethian, 1994), inferring 3D surface shapes from microseismic source localization (Grechka et al., 2015), and Kirchhoff
* Corresponding author.
E-mail address: [email protected] (U. Waheed).
https://doi.org/10.1016/j.cageo.2021.104833
Received 4 September 2020; Received in revised form 17 May 2021; Accepted 17 May 2021
Available online 4 June 2021
0098-3004/© 2021 Elsevier Ltd. All rights reserved.
U. Waheed et al. Computers and Geosciences 155 (2021) 104833
migration (Lambare et al., 2003). models, we study the accuracy properties of the proposed solver. We also
The fast marching method (FMM) and the fast sweeping method explore how machine learning techniques like transfer learning and
(FSM) are the two most commonly used algorithms for solving the surrogate modeling can potentially speed up repeated traveltime com
eikonal equation. FMM belongs to the family of algorithms which are putations with updated velocity models and/or source locations. We
also referred to as single-pass methods. The first such algorithm is also demonstrate the flexibility of the proposed scheme in incorporating
attributed to John Tsitsiklis (1995), who used a control-theoretic dis additional physics and surface topography into the eikonal solution.
cretization of the eikonal equation and emulated Dijkstra-like shortest The main contributions of this paper are as follows: (1) We propose a
path algorithm. However, a few months later, a finite-difference novel algorithm to solve the eikonal equation based on neural networks,
approach, also based on Dijkstra-like ordering and updating was which predicts functional solutions by setting the underlying PDE as a
developed (Sethian, 1996). The FMM combines entropy satisfying up loss function to optimize the network’s parameters. The proposed al
wind schemes for gradient approximations and a fast sorting mechanism gorithm achieves sufficiently high accuracy on models of practical in
to solve the eikonal equation in a single-pass. terest. (2) Through the use of transfer learning, we show how repeated
The FSM, on the other hand, is a multi-pass algorithm that combines traveltime computations can be done efficiently. On the contrary, con
Gauss-Seidel iterations with alternating sweeping ordering to solve the ventional algorithms like fast marching and fast sweeping require the
eikonal equation (Zhao, 2005). The idea behind the algorithm is that the same computational effort even for small perturbations in the velocity
characteristics of the eikonal equation can be divided into a finite model or source location. (3) We demonstrate that by constructing
number of pieces and information propagating along each piece can be surrogate models with respect to the source location, the computations
accounted for by one of the sweeping directions. Therefore, FSM con can be sped up dramatically as only a single evaluation of the trained
verges in a finite number of iterations, irrespective of the grid size. neural network is needed for perturbations in the source location. Such a
Both FMM and FSM were initially proposed to solve the eikonal model can also be effectively used for sensitivity analysis. (4) We
equation on rectangular grids. However, many different approaches demonstrate the flexibility of the proposed approach in incorporating
have since been proposed, extending them to other discretizations and additional physics by simply updating the loss function and the fact that
formulations. A detailed analysis and comparison of these fast methods no special treatment is needed to accurately account for surface topog
can be found in (Gómez et al., 2019). raphy or any irregularly shaped domain.
On a different front, deep learning is fast emerging as a potential The rest of the paper is organized as follows. We begin by describing
disruptive tool to tackle longstanding research problems across science the theoretical underpinnings of the algorithm. Then, we present nu
and engineering disciplines (Najafabadi et al., 2015). Recent advances in merical tests probing into the accuracy of the proposed framework on
the field of Scientific Machine Learning have demonstrated the largely synthetic velocity models. We also explore the applicability of transfer
untapped potential of deep learning for applications in scientific learning and surrogate modeling to efficiently solve the eikonal equa
computing. The idea to use neural networks for solving PDEs has been tion. Next, we discuss the strengths and limitations of the approach,
around since the 1990s (Lee and Kang, 1990; Lagaris et al., 1998). including implications of this work on the field of numerical eikonal
However, recent advances in the theory of deep learning coupled with a solvers. This is followed by some concluding remarks.
massive increase in computational power and efficient graph-based
implementation of new algorithms and automatic differentiation (Bay 2. Theory
din et al., 2017) have seen a resurgence of interest in using neural net
works to approximate the solution of PDEs. In this section, we first introduce the eikonal equation and the
This resurgence is confirmed by the advances made in the recent factorization idea. This is followed by a brief overview of deep neural
literature on scientific computing. For example (Ling et al., 2016), used networks and their capabilities as function approximators. Next, we
a deep neural network (DNN) for modeling turbulence in fluid dy briefly explain the concept of automatic differentiation. Finally, putting
namics, while (Han et al., 2018) proposed a deep learning algorithm to these pieces together, we present the proposed algorithm for solving the
solve the non-linear Black–Scholes equation, the Hamil eikonal equation.
ton–Jacobi–Bellman equation, and the Allen–Cahn equation. Similarly
(Sirignano and Spiliopoulos, 2018), developed a mesh-free algorithm 2.1. Eikonal equation
based on deep learning for efficiently solving high-dimensional PDEs. In
addition (Tompson et al., 2017), used a convolutional neural network to The eikonal equation is a non-linear, first-order, hyperbolic PDE of
speed up the solution to a sparse linear system required to obtain a the form:
numerical solution of the Navier-Stokes equation.
1
Recently, Raissi et al. (2019) developed a deep learning framework |∇T(x)|2 = , ∀ x ∈ Ω,
for the solution and discovery of PDEs. The so-called physics-informed v2 (x) (1)
neural network (PINN) leverages the capabilities of DNNs as universal T(xs ) = 0,
function approximators. In contrast with the conventional deep learning
approaches, PINNs restrict the space of admissible solutions by enforc where Ω is a domain in Rd with d as the space dimension, T(x) is the
ing the validity of the underlying PDE governing the actual physics of traveltime or Euclidean distance to any point x from the point-source xs,
the problem. This is achieved by using a simple feed-forward network v(x) is the velocity defined on Ω, and ∇ denotes the spatial differential
leveraging automatic differentiation (AD), also known as algorithmic operator. Equation (1) simply means the gradient of the arrival time
differentiation. PINNs have already demonstrated success in solving a surface is inversely proportional to the speed of the wavefront. This is
wide range of non-linear PDEs, including Burgers, Schrödinger, also commonly known as the isotropic eikonal equation as the velocity is
Navier-Stokes, and Allen-Cahn equations (Raissi et al., 2019). Moreover, not a function of the wave propagation direction (∇T/|∇T|).
PINNs have also been successfully applied to problems arising in geo To avoid the singularity due to the point-source (Qian and Symes,
sciences (Xu et al., 2019; Karimpouli and Tahmasebi, 2020; Song et al., 2002), we consider the factored eikonal equation (Fomel et al., 2009).
2021; Bai and Tahmasebi, 2021; Waheed et al., 2021). The factorization approach relies on factoring the unknown traveltime
In this paper, we propose a paradigm shift from conventional nu (T(x)) into two functions. One of the functions is specified analytically,
merical algorithms to solve the eikonal equation. Using a loss function such that the other function is smooth in the source neighborhood.
defined by the underlying PDE, we train a DNN to yield the solution of Specifically, we consider multiplicative factorization, i.e.,
the eikonal equation. To mitigate point-source singularity, we use the T(x) = T0 (x) τ(x), (2)
factored eikonal equation. Through tests on benchmark synthetic
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U. Waheed et al. Computers and Geosciences 155 (2021) 104833
where T0(x) is known and τ(x) is the unknown function. Plugging and the activation function is applied element-wise. Computational
equation (2) in equation (1), we get the factored eikonal equation: frameworks, such as Tensorflow (Abadi et al., 2015), can be used to
efficiently evaluate data flow graphs like the one given in equation (6)
T 20 |∇τ|2 + τ2 |∇T0 |2 +2 T0 τ (∇T0 .∇τ) =
1
, efficiently using parallel execution. The input values can be defined as
v2 (x) (3) tensors (multi-dimensional arrays) and the computation of the outputs is
vectorized and distributed across the available computational resources
τ(xs ) = 1.
for efficient evaluation.
The known factor T0 is computed analytically using the expression:
2.3. Approximation property of neural networks
|x − xs |
T0 (x) = , (4)
v(xs )
Neural networks are well-known for their strong representational
where v(xs) is the velocity at the source location. power. It has been shown that a neural network with a single hidden
layer and a finite number of neurons can be used to represent any
bounded continuous function to any desired accuracy. This is also
2.2. Deep feed-forward neural networks known as the universal approximation theorem (Cybenko, 1989; Hornik
et al., 1989). It was later shown that by using a non-linear activation
A feed-forward neural network is a set of neurons organized in layers function and a deep network, the total number of neurons can be
in which evaluations are performed sequentially through the layers. It significantly reduced (Lu et al., 2017). Therefore, we seek a trained deep
can be seen as a computational graph having an input layer, an output neural network (DNN) that could represent the mapping between the
layer, and an arbitrary number of hidden layers. In a fully connected input (x) and the output (τ(x)) of the factored eikonal equation for a
neural network, neurons in adjacent layers are connected with each given velocity model (v(x)).
other but neurons within a single layer share no connection. It is worth noting that while neural networks are, in theory, capable
Thanks to the universal approximation theorem, a neural network of representing very complex functions compactly, finding the actual
with n neurons in the input layer and m neurons in the output layer can parameters (weights and biases) needed to solve a given PDE can be
be used to represent a multi-dimensional function u : Rn →Rm (Hornik quite challenging.
et al., 1989), as shown in Fig. 1. For illustration, we consider a network
of L + 1 layers starting with input layer 0, the output layer L, and L − 1 2.4. Automatic differentiation
hidden layers. The number of neurons in each layer is denoted as k0 = n,
k1, …, kL = m. Each connection between the i-th neuron in layer l − 1 and Solving a PDE using PINNs requires derivatives of the network’s
j-th neuron in layer l has a weight wlji associated with it. Moreover, for output with respect to the inputs. There are four possible ways to
each neuron in layer l, we have an associated bias term bi, i = 1, …, kl. compute derivatives (Baydin et al., 2017; Margossian, 2019): (1)
Each neuron represents a mathematical operation, whereby it takes a hand-coded analytical derivatives, (2) symbolic differentiation, (3) nu
weighted sum of its inputs plus a bias term and passes it through an merical approximation such as finite-difference, and (4) automatic dif
activation function. The output from the k-th neuron in layer l is given as ferentiation (AD).
(Bishop, 2006): Manually working out the derivatives may be exact, but they are not
( ) automated, and thus, impractical. Symbolic differentiation is also exact,
but it is memory intensive and prohibitively slow as one could end up
kl − 1
∑
ulk = σ wlkj ul−j 1 + blk , (5)
j=1
with exponentially large expressions to evaluate. While numerical dif
ferentiation is easy to implement, it can be highly inaccurate due to
where σ() represents the activation function. Commonly used activation round-off errors. On the contrary, AD uses exact expressions with
functions are the logistic sigmoid, the hyperbolic tangent, and the floating-point values instead of symbolic strings and it involves no
rectified linear unit (Sibi et al., 2013). By dropping the subscripts, we approximation error, resulting in accurate evaluation of derivatives at
can write equation (5) compactly in the vectorial form: machine precision. However, an efficient implementation of AD can be
( ) non-trivial. Fortunately, many existing computational frameworks such
ul = σ Wl ul− 1 + bl , (6) as Tensorflow (Abadi et al., 2015) and PyTorch (Paszke et al., 2017)
have made available efficiently implemented AD libraries. In fact, in
where Wl is the matrix of weights corresponding to connections between deep learning, backpropagation (Rumelhart et al., 1986), a generalized
layers l − 1 and l, ul and bl are vectors given by ulk and blk , respectively, technique of AD, has been the mainstay for training neural networks.
To understand how AD works, consider a simple fully-connected
neural network with two inputs (x1, x2), one output (y), and one
neuron in the hidden layer. Let us assume the network’s weights and
biases are assigned such that:
ν = 2x1 + 3x2 − 1,
1
h = σ(ν) = , (7)
1 + e− ν
y = 5h + 2,
where h represents the output from the neuron in the hidden layer
computed by applying the sigmoid function (σ ) on the weighted sum of
the inputs (ν).
To illustrate the idea, let us say we are interested in computing
∂y ∂y
partial derivatives x1 and x2 at (x1, x2) = (1, − 1). AD requires one for
ward pass and backward pass through the network to compute these
Fig. 1. Schematic representation of a feed-forward neural network with L − 1 derivatives as detailed in Table 1. To compute high-order derivatives,
hidden layers. AD can be applied recursively through the network in the same manner.
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Table 1
Example of forward and reverse pass computations needed by AD to compute
partial derivates of the output with respect to the inputs at (x1, x2) = (1, − 1) for
the expressions given in equation (7).
Forward pass Reverse pass
x1 =1 ∂y
=1
x2 =− 1 ∂y
ν = 2x1 + 3x2 − 1 = − 2 ∂y ∂(5h + 2)
= =5
1 ∂h ∂h
h = = 0.119
1 + e− ν ∂y ∂y ∂ h e− ν
= . =5×
∂ν ∂h ∂ν (1 + e− ν )2
= 0.525 Fig. 2. A workflow for the proposed eikonal solver: A randomly initialized
y = 5h + 2 = 2.596 ∂y ∂y ∂ν ∂y neural network is trained on a set of randomly selected collocation points (x*,
= . = × 2 = 1.050
∂x1 ∂ν ∂x1 ∂ν
z*) in the model space with given velocity v(x*, z*) and the known traveltime
∂y ∂y ∂ν ∂y
= . = × 3 = 1.575 function T0(x*, z*) and its spatial derivative ∇T0(x*, z*) to minimize the loss
∂x2 ∂ν ∂x2 ∂ν
function given in equation (8). Once the network is trained, it is evaluated on a
regular grid of points (x, z) to yield an estimate of the unknown traveltime field
For a deeper understanding of AD, we refer the interested reader to ̂τ , which is then multiplied with the known traveltime part T0 to yield the
(Elliott, 2018). estimated eikonal solution T. ̂
A pictorial description of the proposed algorithm is shown in Fig. 2. It In this section, we test the proposed PINN eikonal solver for
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U. Waheed et al. Computers and Geosciences 155 (2021) 104833
Fig. 6. Traveltime contours for the analytical solution (red), PINN eikonal
solution (dashed black), and the first-order fast sweeping solution (dotted blue).
The velocity model and the source location considered are shown in Fig. 3. (For
interpretation of the references to colour in this figure legend, the reader is
referred to the Web version of this article.)
Fig. 5. The absolute traveltime errors for the PINN eikonal solution (a) and the
first-order fast sweeping solution (b) for the velocity model and the source
location shown in Fig. 3.
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U. Waheed et al. Computers and Geosciences 155 (2021) 104833
Fig. 10. Traveltime contours for the analytical solution (red), PINN eikonal
solution (dashed black), and the first-order fast sweeping solution (dotted blue).
The velocity model and the source location considered are shown in Fig. 7. (For
interpretation of the references to colour in this figure legend, the reader is
referred to the Web version of this article.)
Fig. 12. The absolute traveltime errors for the solution computed using the
PINN surrogate model (a) and the first-order fast sweeping solution (b) for the
velocity model shown in Fig. 11 and the source is located at (3.05 km, 4.95 km).
world phenomena. For cases when the available training and test data
− 1 are insufficient, such models often learn spurious relationships that are
Fig. 11. A velocity model with a constant vertical velocity gradient of 0.4 s
misleading. However, the biggest concern of such a data-driven model is
and a horizontal velocity gradient of 0.1 s− 1. Black stars indicate locations of
sources used to train the network as a surrogate model. the lack of scientific consistency of their predictions to known physical
laws that have been the cornerstone of knowledge discovery across
scientific disciplines for centuries.
optimizer help improve the convergence rate, further advances are
A case in point is the failure of Google Flu Trends – a system designed
needed to make PINNs computationally feasible for such highly het
to predict the onset of flu solely based on Google search queries without
erogeneous velocity models.
taking into account the physical knowledge of the disease spread.
Despite its success in the initial years that were used to train the model,
4. Discussion
it soon started overestimating by several factors to the point that it was
eventually taken down (Lazer et al., 2014). Such problems with
In a conventional deep learning application, a neural network is
black-box data science methods on scientific problems have been re
trained by minimizing a loss function that typically measures the
ported in several other publications (Caldwell et al., 2014; Marcus and
mismatch between the network’s predicted outputs and their expected
Davis, 2014; Karpatne et al., 2017). Furthermore, consider a neural
(true) values, also known as training data. However, there are several
network with rectified linear unit (ReLU) activation function. These net
limitations associated with such models that solely rely on a labeled
works show excellent training and convergence characteristics for
dataset and are oblivious to the scientific principles governing real-
data-driven setups. However, it is trivial that the first spatial or temporal
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U. Waheed et al. Computers and Geosciences 155 (2021) 104833
Fig. 13. Traveltime contours for solutions obtained using the analytical for
mula (red), the PINN surrogate model (dashed black), and the first-order fast
sweeping solver (dotted blue). The velocity model considered is shown in
Fig. 11 and a source located at (3.05 km, 4.95 km). (For interpretation of the
references to colour in this figure legend, the reader is referred to the Web
version of this article.)
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U. Waheed et al. Computers and Geosciences 155 (2021) 104833
Fig. 16. Traveltime contours for the reference solution (red), PINN eikonal
solution (dashed black), and the first-order fast sweeping solution (dotted blue).
The velocity model and the source location considered are shown in Fig. 14.
The black solid curve indicates the surface topography. (For interpretation of
the references to colour in this figure legend, the reader is referred to the Web
version of this article.)
Fig. 15. The absolute traveltime errors for the PINN eikonal (a) and first-order
fast sweeping (b) solutions for the anisotropic model and the source location
shown in Fig. 14.
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Fig. 19. Traveltime contours for the reference solution (red), PINN eikonal
solution (dashed black), and the first-order fast sweeping solution (dotted blue).
The velocity model and the source location considered are shown in Fig. 17.
(For interpretation of the references to colour in this figure legend, the reader is
referred to the Web version of this article.)
5. Conclusions
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