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Physics-informed-neural-networks-in-groundwater-fl_2024_Groundwater-for-Sust
Physics-informed-neural-networks-in-groundwater-fl_2024_Groundwater-for-Sust
Physics-informed-neural-networks-in-groundwater-fl_2024_Groundwater-for-Sust
Research paper
H I G H L I G H T S G R A P H I C A L A B S T R A C T
A R T I C L E I N F O A B S T R A C T
Keywords: In recent years, there has been enormous development in soft computing, especially artificial intelligence (AI),
Artificial intelligence which has developed robust methods for solving complex engineering problems. Researchers in the field of water
Physics-informed neural network resources engineering have applied these AI methods to solve a variety of hydrological problems. Despite their
PINN
widespread use in the surface and atmospheric hydrology fields, groundwater hydrologists have not widely used
Groundwater modeling
MODFLOW
AI methods in their routine field-scale modeling efforts. This is because AI models have been primarily
considered black box models that lack physical meaning. Furthermore, using AI models to generate the space-
time distribution of transient groundwater level variations is challenging and requires further flux balance
and mass transport analyses. More recently, a new type of physics-informed neural network (PINN) model has
been developed to address several limitations by integrating governing physics (groundwater flow equations)
into the AI tools. This study presents the systematic advantages of the PINN algorithm for solving groundwater
problems using a set of classic test problems. As discussed in detail in the article, these advantages and potentials
are associated with the meshless nature of PINN, its continuous time and space dimensions, its independence
* Corresponding author. Department of Civil Engineering, University of Memphis, Memphis, TN, USA.
E-mail address: fjazaei@memphis.edu (F. Jazaei).
https://doi.org/10.1016/j.gsd.2024.101172
Received 15 June 2023; Received in revised form 2 April 2024; Accepted 3 April 2024
Available online 12 April 2024
2352-801X/© 2024 Elsevier B.V. All rights reserved.
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
from time-stepping and incremental marching in space, and its efficiency in running time. However, despite
PINN’s promising attributes, it is important to acknowledge its nascent stage of development and the inherent
limitations of all neural network models, such as training challenges and hyperparameter selection. Thus,
collaborative efforts between groundwater modelers and computer scientists are imperative to explore and
exploit the full potential of PINN in tackling increasingly complex groundwater problems and nurturing PINN
into a dependable modeling tool in industry and academia.
2
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
x′ φ′(x′, t′) t′ D′
x = ′, φ(x, t) = , and t= , (2) f = |MSEPDE + MSEIC + MSEBC | (4)
L φ′ L′
2
where, MSEPDE , MSEIC , and MSEBC indicate the mean squared error of
where, φ(x, t) is the dimensionless groundwater head, at the dimen
the solution at the internal space and time of PDE (i.e., x ∈ (0, 1) and
sionless position, x, and time, t, and φ′ is the characteristic value of a t > 0), IC, and BC, respectively. To calculate these terms for problems in
dependent variable. Combining Eqs. (1) and (2), the non-dimensional Fig. 1, the information provided by the governing equation, Eq. (3), IC,
form of Eq. (1) can be written as: and BC is used as:
∂φ(x, t) ∂2 φ(x, t) N ⃒ ⃒2
(3) 1 ∑ ⃒∂ φ 2 ⃒
∂t
−
∂x2
− w = 0, x ∈ (0, 1),
MSEPDE = ⃒ ̂ (xi , ti ) − ∂ φ̂ (xi , ti )
− w⃒⃒ , (5)
N i=1 ⃒ ∂t ∂x 2
where, w = w′L′/D′φ′ (Jazaei et al., 2017). Eq. (3) was studied under four
classic initial (IC) and boundary (BC) conditions, as depicted in Fig. 1. 1 ∑N
MSEIC = ̂ (xi , 0)|2 , and
|φ(xi , 0) − φ (6)
All problems include a uniform IC produced by BCs. In Fig. 1(a), the N i=1
head at the BCs increases instantly without any recharge occurring. The
BCs in Fig. 1(b) are fixed, while a uniform recharge occurs throughout 1 ∑N
the system. The problem depicted in Fig. 1(c) has fixed BCs and a MSEBC = ̂ (0, ti )|2 + |φ(1, ti ) − φ
|φ(0, ti ) − φ ̂ (1, ti )|2 (7)
N i=1
non-uniformly (linearly) varying recharge. Fig. 1(d) includes fixed and
no-flow BCs, while uniform recharge occurs over the entire area. The where, xi ∈ (0, 1) , and ti > 0, φ ̂ denotes the solution predicted by the
dotted red line is representative of the general transient head distribu PINN in each iteration at collocation points until the value of f is less
tion under each condition. These problems were solved using a PINN than a threshold value, ε, (f→0), and φ denotes known IC and BCs. As
model and verified by the industrial-grade MODFLOW 2005 code. shown in Eqs. (5)–(7) and represented in Fig. 2, there are three types of
collocation points within the time-space domains of the solution — in
3. Physics- informed neural network (PINN) model ternal PDE collocation points, (xi , ti ), where xi ∈ (0, 1) and ti > 0, IC
collocation points, (xi ,0), and BC collocation points, (0,ti ) and (1,ti ). The
The PINN model solves PDEs by combining deep neural networks subscript i denotes the ith collocation point. Fig. 2 schematically shows
with an AD algorithm (Faroughi et al., 2022; Raissi et al., 2019). The AD the randomly distributed collocation points within the transient space-
method is based on chain rules, as opposed to FD-based numerical de time domains, once the system is yet in transient condition before
rivatives used, e.g., in MODFLOW (Hou et al., 2022; Mao et al., 2020). effectively asymptote to steady-state condition at t ≈ 0.5 [ − ], that are
AD allows encoding a PDE, e.g., Eq. (3), within a deep learning network used to train the PINN model.
algorithm to find nonlinear relations between input parameters (e.g., x
PINN determines the derivative values of ∂ φ ̂ /∂t and ∂2 φ
̂ /∂x2 in Eq.
and t) and output quantities (e.g., the derivatives in Eq. (3)), by lowering
(3) through an AD approach (Baydin et al., 2018; Huang et al., 2021;
a loss function (e.g., Eq. (4)) (Meng et al., 2020). These processes are
Rall and Corliss, 1996) and aims to find the best spatial and temporal
illustrated in Fig. 3. Interested readers are referred to the cited refer
distributions of φ
̂ (xi , ti ) at the collocation points by minimizing the loss
ences for a detailed description of the PINN method (Raissi et al., 2017,
function, f, (Eq. (4)).
2019).
In this study, the PINN model was used with a fully connected deep
The main advantage of PINN models is that, unlike other neural
neural network and the hyperbolic tangent (tanh) operation between its
network models, the loss function can be calculated independently of the
layers (Ding et al., 2018; Lau and Lim, 2018). The basis of the fully
exact training or collocation point values owing to the additional in
connected deep neural network was explained broadly by (Goodfellow
formation provided by the PDE, BC, and IC conditions. The loss function
et al., 2016; Nabian et al., 2021). All PINN models used in this study
of the PINN includes three terms that can be written as,
employ eight hidden layers with 20 neurons in each layer. The learning
Fig. 1. Four groundwater problems solved by PINN and MODFLOW 2005 with different forcing conditions as, a) the head at the left and right BCs increases instantly
without any recharge occurring, b) BCs are fixed, while a uniform recharge occurs throughout the system, c) BCs are fixed and a non-uniformly (linearly) varying
recharge occurs, and d) left BC is fixed and the right BC is no-flux with uniform recharge term. Dotted red lines and solid arrows represent transient groundwater head
distribution and aquifer recharge, respectively.
3
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
Fig. 2. Illustration of three types of collocation points, including internal PDE, IC, and BC points, distributed randomly throughout the space and time domains of the
PINN model.
Fig. 3. General computational scheme of a PINN model that combines a deep learning algorithm with an automatic differentiation feature to solve Eq. (3), the
governing equation of 1D non-dimensional groundwater flow (Cai et al., 2021).
rate was set to 0.01, and the weights and biases of the neural networks 4. Results
were determined and updated utilizing the Adam Optimizer (Bock and
Weiβ, 2019; Kingma and Ba, 2014). This section compares PINN solutions of the four groundwater flow
Table 1
Summary of collocation points, epochs, and forcing conditions used in various test problems in Fig. 1.
Problem in Fig. 1 Randomly distributed Collocation Points Epochs Recharge Term, w IC (x, 0) BC1 φ(0, t) BC2
Internal PDE BC IC
4
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
problems, shown in Fig. 1, with MODFLOW 2005 results. Table 1 sum Table 2
marizes the number of internal PDE, IC, and BC collocation points and Mean squared error between PINN and MODFLOW 2005 solutions for the four
epochs that control the number of passes of the entire dataset within test problems in Fig. 1.
each PINN for each problem (Brownlee, 2018). The governing equation Problem in Time, t MSE [− ] Problem in Time, t MSE [− ]
of all problems is Eq. (3), which has been solved by the different Fig. 1 [− ] Fig. 1 [− ]
recharge and BCs, as summarized in Table 1. These problems include (a) 0.07 1.68 × (c) 0.07 8.32 ×
uniform initial conditions and different forcing conditions, such as 10− 4 10− 8
uniform and nonuniform recharge with suddenly changing, fixed, or 0.15 3.15 × 0.15 5.58 ×
10− 6 10− 8
no-flow BCs.
0.50 3.47 × 0.50 1.20 ×
After training PINN models according to Table 1, both PINN and 10− 6 10− 8
MODFLOW 2005 were formulated to compute the solutions at 10,000 × (b) 0.07 2.19 × (d) 0.07 6.55 ×
10,000 uniformly distributed points within the non-dimensional space, 10− 7 10− 7
x ∈ [0, 1] and transient time domains, t ∈ [0, 0.5], before effectively 0.15 2.86 × 0.25 1.42 ×
10− 7 10− 6
reaching steady-state conditions. Fig. 4 illustrates the results at three 0.50 1.93 × 0.50 2.69 ×
different times: 0.07, 0.15, and 0.50, corresponding to the early, inter 10− 7 10− 6
mediate, and late (steady-state) stages of transition. Table 2 also com
pares the solutions using mean squared error (MSE) values.
Fig. 4. Comparison of solutions performed by PINN and MODFLOW 2005 for four groundwater flow problems shown in Fig. 1 at various time steps (i.e., early,
intermediate, and late transition stages).
5
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
5. Discussion and future directions traditional time-methods such as the forward Euler and the Crank-
Nicolson schemes exhibit a notable escalation in computational costs
Scientists, engineers, and policymakers agree that recent AI advances (Zhang et al., 2022). The PINN models developed in this study were
have significantly impacted their respective fields. Hence, they all strive executed by MATLAB, which is known to be slower than Fortran and
to challenge AI’s ability to provide novel solutions to their problems by C++ compilers used by numerical modeling tools such as MODFLOW
pushing the boundaries of AI capabilities. In surface hydrology, AI tools (Andrews, 2012; Zhang, 1998). MATLAB is an interpreted language that
have been used to study several problems since the late 1970s, including executes a code line by line through an interpreter. In contrast, Fortran is
rainfall-runoff modeling, streamflow modeling, and water quality compiled, with the entire code translated into machine code before
modeling (Czyczula Rudjord et al., 2022; Talei, 2022). AI tools inspire execution, contributing to its faster performance (De Rose and Padua,
surface hydrologists to improve AI applications in their problems. In 1996).
contrast, groundwater hydrologists have not yet viewed AI as a prom In this study, we trained all four PINN models using MATLAB on a
ising method for solving problems related to flow and contaminant personal computer with an Intel Core i7-9750H CPU with 2.60 GHz and
transport issues. The main reason is that the black-box nature of AI a 64-bit Windows 11 operating system. We were able to train each model
models could not capture the groundwater flow physics. So far, the with fewer than five trials, and each try took less than 3.5 h. The speed of
application of AI in the groundwater field has been mostly limited to the developed PINN models was compared with MODFLOW 2005 and
time series analysis of groundwater head fluctuations at individual MODFLOW 6 using PCG Solver. Table 3 summarizes the computational
monitoring points (Bahmani and Ouarda, 2021; Momeneh and Nourani, performance data for all models that employed 10,000 spatial and
2022; Mozaffari et al., 2022; Rajaee et al., 2019; Vadiati et al., 2022). 10,000 time steps before the flow relaxes into a steady-state condition.
These scalar applications could not develop vector-based flux informa PINN models run by MATLAB Compiler produced transient solutions
tion, which is heavily relied upon by groundwater modelers in various slightly slower than MODFLOW 2005 executed in Fortran. However,
investigations. However, with the recent developments in the PINN MODFLOW 6 and the finite-difference model developed within MATLAB
model, a new window of opportunity has opened for using AI to solve were significantly slower. In the future, it should be possible to
groundwater flow PDEs with different initial and boundary conditions. dramatically improve the runtime of the PINN models by using Fortran
Table 4 presents a detailed comparison between the PINN and the or C++ codes instead of the MATLAB coding environment.
widely used MODFLOW model in groundwater science. By assessing The fifth advantage is that the PINN models are capable of providing
various criteria of both models, the table offers insights into PINN’s solutions at any particular time with a single calculation (like analytical
limitations, advantages over MODFLOW, and its unexplored potential, solutions), as opposed to MODFLOW models that require a series of
which is further elaborated upon below. calculations starting from the initial condition and marching forward in
Potential and advantages of PINN: There are six main reasons why time until reaching the desired time or location. With effective and
PINN models have the potential to advance significantly in the appropriate use of this capability of PINN models, it is possible to reduce
groundwater modeling field (Table 4). Firstly, PINN is not a mesh-based the runtime significantly. Moreover, this capability allows for focused
solver (Zhang et al., 2022). In contrast to mesh-based models, such as analysis on specific temporal and spatial domains as needed, stream
MODFLOW and FEFLOW, which only provide solutions at specific nodes lining the modeling process and enhancing flexibility in addressing
(that depend on grid discretization) and at particular time points (that targeted scenarios.
rely on time step), PINN models can provide the solution at any arbitrary Finally, since AI tools are based on the principles of biological neu
and continuous point and time (like analytical solutions). This charac rons, as pointed out by recent investigations, it has a fascinating
teristic can help better represent groundwater dynamics when evolutionary capability known as Curriculum Learning (Wang et al.,
high-resolution spatial and temporal information is required at specific 2021). AI was conceived as a model of the human brain. Therefore, it
spatio-temporal scales, such as in the simulation of surface-groundwater makes sense that the learning process can be patterned after how
interactions in hyporheic zones. However, it should be noted that the humans (babies) learn, from simple to complex problems (Soviany et al.,
accuracy of the PINN model in capturing the physics of groundwater 2022). This easy-to-hard training paradigm would allow the develop
flow is contingent upon training it using an optimal number of collo ment of simple AI groundwater models and later improve (or grow)
cation points in both time and space domains. Typically, the complexity them to solve complex systems. Using this approach, an AI-based
of a problem, including factors such as initial conditions (e.g., nonuni groundwater model trained to solve simple problems has the potential
formity) and boundary conditions (e.g., time-varying), dictates the to be progressively re-trained to solve more complex problems.
suitable number of collocation points. Like other deep learning models, Challenges and limitations of PINN: Despite the promising attri
this determination is made using iterative testing and refinement steps. butes of PINN, it is important to acknowledge its current limitations and
Thus, understanding the significance of each collocation point (i.e., in challenges, specifically compared with conventional packages such as
ternal PDE, IC, and BC collocation points) in solving the groundwater MODFLOW (Table 4). PINN models still suffer from the limitations
flow problem can enhance the allocation of computational resources, inherent in all neural network models. In neural networks, overfitting
potentially leading to improved efficiency in PINN models. This aspect and underfitting are common challenges, and PINN models are no
certainly warrants further investigation. exception. Additionally, PINN solutions must be tuned according to
The second advantage is that it is possible that PINN models might several hyperparameters (e.g., learning rate, number of layers, and
not have the instability or drying cell issues that conventional ground number of neurons per layer). A poorly chosen set of hyperparameters
water models have under certain conditions, such as a numerical layer can adversely affect the performance of the model. Furthermore, The
becoming thin or dry. Although the stability of PINN models in
groundwater problems has yet to be thoroughly investigated, the
Table 3
absence of timestps and incremental space constraints suggests that they
Comparing the PINN model runtime for four test problems with MODLFOW
could be free from conventional instability problems.
2005, MODFLOW-6, and MATLAB-based FD models.
The third advantage is that the PINN models have the potential to
Models Running time to solve the problem in Fig. 1 (seconds)
find solutions faster than numerical codes such as MODFLOW. Although
training PINN models may be more time-consuming than developing a (a) (b) (c) (d)
well-designed MODFLOW model, it is crucial to consider that once a PINN 163 192 189 173
PINN model is trained, forecasting simulations can be more computa MODFLOW 2005 133 139 141 141
tionally efficient. Differences become more apparent when high spatial MODFLOW 6 4030 4030 4015 3975
MATLAB FD 6747 6421 7210 6870
and temporal resolution is necessary. With increasing time iterations,
6
A.S.A. Ali et al. Groundwater for Sustainable Development 25 (2024) 101172
training process for PINNs can become exceedingly time-consuming and Data availability
computationally demanding when dealing with large and intricate ar
chitectures, such as those involving numerous layers and neurons. In Data will be made available on request.
order to accomplish this, it is necessary to utilize specialized computa
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