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Artificial Intelligence (AI) & Machine Learning (ML)

Technical Report · November 2023

DOI: 10.13140/RG.2.2.20926.05444

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a
Artificial Intelligence (AI)
&
Machine Learning (ML)

Edited & Adapted by: Ideen Sadrehaghighi

Artificial
Intelegence

Machine
Learning

Artificial
Neutrual
Networks
(ANNs)

ANNAPOLIS, MD
 2

Contents

1 Artificial Intelligence ................................................................................................................. 5

1.1 Definitions ................................................................................................................................................................. 5
1.2 Categories of AI ....................................................................................................................................................... 5
1.2.1 References ........................................................................................................................... 7

2 Machine Learning (ML) ............................................................................................................. 9

2.1 Definition ................................................................................................................................................................... 9
2.2 Difference Between Artificial Intelligence and Machine Learning .................................................... 9
2.2.1 Reference........................................................................................................................... 10
2.3 Creating Your First Machine Learning Model (Apples & Oranges) ................................................ 10
2.3.1 Supervised Learning........................................................................................................... 11
2.3.2 Collect Training Data ......................................................................................................... 11
2.3.3 Training the Classifier ........................................................................................................ 11
2.3.4 Make Predictions ............................................................................................................... 12
2.3.5 Warming Up: Quadratic Equation ..................................................................................... 12
2.3.6 References ......................................................................................................................... 13
2.4 Deep Learning ...................................................................................................................................................... 13
2.4.1 References ......................................................................................................................... 14
2.5 Algorithms and Types of Problems ............................................................................................................. 14
2.5.1 Supervised Learning........................................................................................................... 14
2.5.2 Unsupervised Learning ...................................................................................................... 15
2.5.3 Semi-supervised Learning.................................................................................................. 15
2.5.4 Reinforcement Learning .................................................................................................... 15
 3

2.5.5 References ......................................................................................................................... 15

2.6 List of Common Machine Learning Algorithms ...................................................................................... 16
2.6.1 Linear Regression ............................................................................................................. 16
2.6.2 Logistic Regression ............................................................................................................ 17
2.6.3 Decision Tree ..................................................................................................................... 17
2.6.4 References ......................................................................................................................... 18

3 Artificial Neutral Networks (ANNs) .................................................................................... 19

3.1 Preliminaries......................................................................................................................................................... 19
3.2 Types of Neutral Networks ............................................................................................................................. 20
3.2.1 Perceptron ......................................................................................................................... 20
3.2.2 Feed Forward Network ...................................................................................................... 20
3.2.3 Multi-Layer Perceptron ..................................................................................................... 20
3.2.4 Radial Basis Networks........................................................................................................ 20
3.2.5 Convolutional Neural Networks ........................................................................................ 21
3.2.6 Recurrent Neural Networks ............................................................................................... 22
3.2.7 Physics-Informed Neural Networks (PINN) ....................................................................... 22
3.2.8 Case Study - Prediction & Comparison of the Maximal Wall Shear Stress (MWSS) for
Carotid Artery Bifurcation................................................................................................................. 23
3.3 Machine Learning & Fluid Dynamics .......................................................................................................... 24
3.4 Field Inversion and Machine Learning in Support of Data Driven Environment ..................... 24
3.5 Kernel of the Artificial Neural Networks (ANNs) .................................................................................. 24
3.5.1 The POD as Linear Artificial Neural Network (LANN) ........................................................ 25
3.5.1.1 POD and Nonlinear ANN.......................................................................................... 26
3.6 Overview of ANNs in Turbulence Applications ...................................................................................... 27
3.7 The Future of ANNs for Fluids Modelling ................................................................................................. 28

List of Tables
Table 2.3.1 Data Considered ......................................................................................................................................... 11
Table 2.6.1 Machine learning algorithms may be categorized into supervised, unsupervised, and
semi-supervised, depending on the extent and type of information available............................................ 16
Table 3.2.1 Results of Different Methods ................................................................................................................ 23

List of Figures
Figure 1.1.1 Scope of Artificial Intelligence - Courtesy of Hackerearth Blog.............................................. 5
Figure 1.2.1 Research in artificial intelligence [1] .................................................................................................... 6
Figure 1.2.2 Schematics of Deep Learning ................................................................................................................. 7
Figure 2.3.1 Machine Learning Programming ....................................................................................................... 10
Figure 2.3.2 Decision Tree Classifier .......................................................................................................................... 11
Figure 2.4.1 Schematics of AI, Machine Learning and Deep Learning........................................................ 14
Figure 2.5.1 A Learning Machine Uses Inputs From a Sample Generator and Observations from a
System to Generate an Approximation of its Output (Credit: Cherkassky & Mulier (2007)) ................ 15
Figure 2.6.1 Linear Regression .................................................................................................................................... 16
Figure 2.6.2 Decision Tree ............................................................................................................................................. 17
Figure 3.1.1 Artificial Neural Network (ANN) ....................................................................................................... 19
Figure 3.2.1 Perceptron .................................................................................................................................................. 20
Figure 3.2.2 Multi-Layer Perceptron Architecture .............................................................................................. 20
Figure 3.2.3 Radial Basis Function ............................................................................................................................. 21
 4

Figure 3.2.4 Convolutional Neural Networks ........................................................................................................ 21

Figure 3.2.5 Recurrent Neural Networks (RNN) .................................................................................................. 22
Figure 3.2.6 Physics-informed neural networks for solving Navier–Stokes equations ....................... 22
Figure 3.2.7 Maximal Wall Shear Stress (MWSS) Value for Carotid Artery Bifurcation ...................... 23
Figure 3.4.1 Calibration Cases for off Line Data ................................................................................................... 24
Figure 3.5.1 Network Diagram for a feed-forward NN with three inputs and one output ................ 24
Figure 3.5.2 Comparison of linear POD (top) and Neural Networks (bottom) ....................................... 26
Figure 3.6.1 Skin Friction Coefficient for Onera M6 match to within 2% ................................................. 27
Figure 3.6.2 Contour plots for a backward facing step. Note that the training of the ML surrogate
did not include data for the shown step height......................................................................................................... 28
 5

1 Artificial Intelligence
1.1 Definitions
Artificial Intelligence (AI) can be outlined as the analysis of mental and psychological abilities by
using various computational
patterns and sequences [1,2].
The term “intelligence” in this (a) Machine
field can be very deceptive. For Learning
instance, we usually apply this
word when we want to
describe someone displaying
unusual inventiveness and
mind-blowing skills. This (b) Neural
results in giving the impression Networks
that artificial intelligence is a
reliable method for generating
loads of clever ideas and
insights but in reality, it
Artificial (c) Deep
Learning
revolves around the basic idea Intelegence
of duplicating the physiological
and mental abilities of the
“ordinary” people. It can also Figure 1.1.1 Scope of Artificial Intelligence - Courtesy of
be defined as the science of Hackerearth Blog
creating sophisticated
machines and devices as well as various computerized programs to analyze human intelligence [3]
for solving the practical problems that the world presents us with. The ultimate aim of artificial
intelligence is to create devices that have human-level intelligence, as some might think that this
practice is immoral and indecent [2]. In broadest way, Artificial Intelligence (AI) can be think of
about advanced, computer intelligence. In 1956 at the Dartmouth Artificial Intelligence Conference,
the technology was described as such: "Every aspect of learning or any other feature of
intelligence can in principle be so precisely described that a machine can be made to simulate
it." A.I. can refer to anything from a computer program playing a game of chess, to a voice-recognition
system like Amazon's Alexa interpreting and responding to speech. IBM's Deep Blue, which beat chess
grand master Garry Kasparov at the game in 1996, or Google DeepMind's Alpha Go, are examples of
A.I. It also used to classify machines that mimic human intelligence and human cognitive functions,
like problem-solving and learning. AI uses predictions and automation to optimize and solve complex
tasks that humans have historically done, such as facial and speech recognition, decision making and
translation (IBM Blog, 2023).

1.2 Categories of AI
Three main categories of AI are:
• Artificial Narrow Intelligence (ANI)
• Artificial General Intelligence (AGI)
• Artificial Super Intelligence (ASI)
ANI is considered “weak” AI, whereas the other two types are classified as “strong” AI. We define
weak AI by its ability to complete a specific task, like winning a chess game or identifying a particular
individual in a series of photos. Natural language processing (NLP) and computer vision, which let
companies automate tasks and underpin chatbots and virtual assistants such as Siri and Alexa, are
 6

Figure 1.2.1 Research in artificial intelligence [1]

examples of ANI. Computer vision is a factor in the development of self-driving cars. Stronger forms
of AI, like AGI and ASI, incorporate human behaviors more prominently, such as the ability to
interpret tone and emotion. Strong AI is defined by its ability compared to humans. Artificial General
Intelligence (AGI) would perform on par with another human, while Artificial Super Intelligence
(ASI), also known as superintelligence, would surpass a human’s intelligence and ability. Neither
form of Strong AI exists yet, but research in this field is ongoing (IBM newsletter). According to
HackerEarth Blog, AI can be classified into the following (see Figure 1.1.1):
• Machine Learning (ML)
• Deep Learning (DL)
• Neural Networks (NNs)
Other definitions provided by Kontos [4], which defines A.I. as a single and consolidated discipline it
might be better to consider as a set of different technologies that are easier to define individually.
This set can include data mining, question answering, self-aware systems, pattern recognition,
knowledge representation, automatic reasoning, deep learning, expert systems, information
extraction, text mining, natural language processing, problem solving, intelligent agents, logic
programming, machine learning, artificial neural networks, artificial vision, computational discovery,
computational creativity. Therefore artificial ``Self-aware'' or ``conscious'' systems are the products
of one of these technologies. Figure 1.2.1 indicates the various area of Artificial Intelligence with
attentive subject contoured shown in red ellipse.
While for artificial intelligence (AI), machine learning (ML), deep learning (DL) and neural networks
(NN) are related technologies, the terms are often used interchangeably, which frequently leads to
confusion about their differences. Vargas et al. [5] describes the Deep Learning (DL) as an emerging
 7

Figure 1.2.2 Schematics of Deep Learning

Representations
area of Machine Learning (ML) research (Figure of1.2.2).
Deep Learning
It comprises multiple hidden layers of
Artificial Neural Networks (ANNs). The deep learning methodology applies nonlinear
transformations and model abstractions of high level in large databases.
1.2.1 References
[1] Charniak, E. (1985). Introduction to artificial intelligence. Pearson Education India
[2] Ananya Priyadarshini, “Artificial Intelligence: The Inescapable”, B.Tech. Computer Science, 2022.
[3] McCarthy, J. (2007). What is artificial intelligence?
[4] John Kontos, “Artificial Intelligence, Machine Consciousness and Explanation”, Academia Letters
preprint, 2012.
[5] Vargas, R., Mosavi, A., & Ruiz, R. (2017). Deep learning: a review.
8
 9

2 Machine Learning (ML)

2.1 Definition
Before we pay tribute to the field of machine learning, it best to go briefly of what is machine learning
itself is. Machine learning is a type of Artificial Intelligence (AI) that provides computers with
the ability to learn without being explicitly programmed. Machine learning focuses on the
development of computer programs that can change when exposed to new data. In the past decade,
machine learning has given us self-driving cars, practical speech recognition, effective web search,
and a vastly improved understanding of the human genome. Machine learning is so pervasive today
that you probably use it dozens of times a day without knowing it. The process of machine learning
is similar to that of data mining. Both systems search through data to look for patterns. However,
instead of extracting data for human comprehension as is the case in data mining applications,
machine learning uses that data to detect patterns in data and adjust program actions
accordingly. Machine learning algorithms are often categorized as being
➢ Supervised,
➢ Un-supervised,
➢ Semi-supervised Learning, and
➢ Reinforcement learning
Supervised algorithms can apply what has been learned in the past to new data. Un-supervised
algorithms can draw inferences from datasets. Facebook's News Feed uses machine learning to
personalize each member's feed. If a member frequently stops scrolling in order to read or "like" a
particular friend's posts, the News Feed will start to show more of that friend's activity earlier in the
feed. Behind the scenes, the software is simply using statistical analysis and predictive analytics to
identify patterns in the user's data and use to patterns to populate the News will be included in the
data set and the News Feed will adjust accordingly. Google and Amazon are other heavy users of
Machine Learning. In essence, Machine learning (ML) is an algorithms that process and extract
information from data. They facilitate automation of tasks and augment human domain
knowledge. They are linked to learning processes and are categorized as supervised, semi-
supervised, or unsupervised (Brunton, Noack, & Koumoutsakos, 2020). Reinforcement learning is
a third, large branch of machine learning research, in which an agent learns to make control decisions
to interact with an environment for some high level objection [1]. Examples include learning how to
play games [2], such as chess. (Brunton, 2021)[3].

2.2 Difference Between Artificial Intelligence and Machine Learning

Artificial Intelligence (AI) is a computer program that does something smart. It can be a pile of
statements or a complex statistical model. Usually, when a computer program designed by AI
researchers actually succeeds at something; like winning at chess many people say it's "not really
intelligent", because the algorithms internals are well understood. So you could say that true AI is
whatever computers can't do yet. Machine learning, as others here have said, is a subset of AI. In
short, Machine learning is a science that involves development of self-learning algorithms.
These algorithms are more generic in nature that it can be applied to various domain related
problems. Machine learning uses statistics (mostly inferential statistics) to develop self-learning
algorithms. Artificial Intelligence is a science to develop a system or software to mimic human
to respond and behave in a circumstance. As field with extremely broad scope, AI has defined its
goal into multiple chunks. Later each chuck has become a separate field of study to solve its problem.
The "learning" part of Machine Learning means that ML algorithms attempt to optimize along a
certain dimension; i.e. they usually try to minimize error or maximize the likelihood of their
predictions being true. How does one minimize error? Well, one way is to build a framework that
 10

multiplies inputs in order to make guesses as to the inputs' nature. Different outputs/guesses are the
product of the inputs and the algorithm. Usually, the initial guesses are quite wrong, and if you are
lucky enough to have ground-truth labels pertaining to the input, you can measure how wrong your
guesses are by contrasting them with the truth, and then use that error to modify your algorithm.
That's what Artificial Neural Networks (ANN) do. They keep on measuring the error and modifying
their parameters until they can't achieve any less error. They are, in short, an optimization algorithm.
If you tune them right, they minimize their error by guessing and guessing and guessing again.
Another point of view expressed by (Pandey, Schumacher, & Sreenivasan, 2020) [4] is that while ML
is sometimes regarded as a subset of AI, there are some differences in usage. AI mimics
natural intelligence to solve complex problems and enables decision making; efficiency is not
its main driver, and it is an intelligence capability which we want to build into all machines.
Machine learning, on the other hand, is about improving and maximizing performance by
means of self-learning algorithms. Both of them require large databases from which to learn: the
more the high-quality data that becomes available, the better the results, hence the close connection
of AI and ML to Big Data.
2.2.1 Reference
[1] Sutton, R.S., Barto, A.G.: Reinforcement Learning: An Introduction, vol. 1. MIT Press, Cambridge
(1998)
[2] Mnih, V., Kavukcuoglu, K., Silver, D., et al.: Human-level control through deep reinforcement
learning. Nature 518, 529 (2015)
[3] arXiv:2110.02083 [physics. flu-dyn]
[4] Pandey, S., Schumacher, J., & Sreenivasan, K. R. (2020). A perspective on machine learning in
turbulent flows. Journal of Turbulence.

2.3 Creating Your First Machine Learning Model (Apples & Oranges)
Source : Newark.com
In ML, instead of defining the rules and expressing them in a programming language, answers
(typically called labels) are provided with the data (see Figure 2.3.1). The machine will conclude
the rules that determine the relationship between the labels and the data. The data and labels are
used to create ML Algorithms,
typically called models. Using this
model, when the machine gets new
data, it predicts or correctly labels
them. If we train the model to
distinguish between apples and
oranges, the model can predict
whether it is an apple or an orange Figure 2.3.1 Machine Learning Programming
when new data is presented. The
problem sounds easy, but it is impossible to solve without ML. You'd need to write tons of rules to
tell the difference between apples and oranges. With a new problem, you need to restart the process.
There are many aspects of the fruit that we can collect data on, including color, weight, texture, and
shape. For our purposes, we'll pick only two simple ones as data: weight and texture. In this article,

Collect Train Make

Training Data Classifier Prediction
 11

we will explain how to create a simple ML algorithm that discerns between an apple and an orange.
To discern between an apple and an orange, we create an algorithm that can figure out the rules so
we don't have to write them by hand. And for that, we're going to train what's called a classifier. You
can think of a classified as a function. It takes some data as input and assigns a label to it as output.
The technique of automatically writing the classifier is called supervised learning.
2.3.1 Supervised Learning
In supervised learning, the training data will have expert labels that should be predicted or modeled
with the machine learning algorithm (Brunton, 2021)4. These output labels may be discrete, such as
a categorical label of a “dog” or a “cat” given an input image, in which case the task is one of
classification. If the labels are continuous, such as the average value of lift or drag given a specified
airfoil geometry, then the task is one of regression. To use supervised learning, we follow a simple
procedure with a few standard steps. The first step is to collect training data. These are essentially
examples of the problem we want to solve. Step two is to use these examples to train a classifier.
Once we have a trained classifier, the next step is to make predictions and classify a new fruit.
2.3.2 Collect Training Data
To collect training data, assume we head out to an orchard and Weight Texture Label
collect some data. We look at different apples and oranges and 155 rough Orange
write down their descriptive measurements in a table. In ML, 180 rough Orange
these measurements are called features. To keep things simple, 135 smooth apple
we've used only two types of data – how much each fruit weighs 110 smooth apple
in grams and its texture, which can be bumpy or smooth. Each
row in our training data depicts an example. It describes one Table 2.3.1 Data Considered
piece of fruit. The last column is known as the label. It identifies
what type of fruit is in each row, and in this case, there are only
two possibilities – apples or
oranges. The more training data
you have, the better a classifier
you create. (see Table 2.3.1).
2.3.3 Training the Classifier
With the dataset prepared, the
next step is to set up our training
data and code it. Before we set
up our training data, ensure the
scikit-learn package is loaded.
Scikit-learn provides a range of
supervised and unsupervised
learning algorithms via a
consistent interface in Python.
Now let's write down our Figure 2.3.2 Decision Tree Classifier
training data in code. We will use
two variables – features and labels.
features = [[155, “rough”], [180, “rough”],[135, “smooth”],[110, “smooth”]]
labels = ["orange", "orange", "apple", "apple"]
In the preceding code, the features contain the first two columns, and labels contain the last. Since
scikit-learn works best with integers, we're going to change the variable types of all features to
integers instead of strings – using 0 for rough and 1 for smooth. We will do the same for our labels –
using 0 for apple and 1 for orange. The next step involves using these example features to train a
 12

classifier. The type of classifier we will use is called a decision tree. There are many different
classifiers, but for simplicity, you think of a classified as a box of rules. Before we use our classifier,
we must import the decision tree into the environment. Then on the next line in our script, we will
create the classifier. (
Figure 2.3.2).
2.3.4 Make Predictions
We have a trained classifier. Let's test it and use it to classify a new fruit. The input to the classifier is
the feature for a new example. Let's say the fruit we want to classify is 150 grams and bumpy. Let's
see if our ML algorithm can make such a prediction:
print (clf.predict(X = [[150, 0]]))
(1)
It works! The output is what we expected: 1 (orange). If everything worked for you, then
congratulations! You have completed your first ML project in Python. You can create a new classifier
for a new problem just by changing the training data. Fortunately, with the abundance of open source
libraries and resources available today, programming with ML has become more comfortable and
accessible to a rising number of users every day. Once you have a basic understanding of ML software
programs and algorithms, you can scale your project using AI-based development boards. Decide on
a hardware platform based on your application, and you are ready to go for real-world deployment.
2.3.5 Warming Up: Quadratic Equation
Consider a prototypical problem of finding roots of quadratic equation, ax2 + bx + c = 0,

−b ± √b 2 − 4ac
rL , rR =
2a
Eq. 2.3.1
We would like to learn the Eq. 2.3.1
(a, b, c) → (rL , r R )
Eq. 2.3.2
without relying on the knowledge of the underlying processes (Gyrya, Shashkov, Skurikhin, &
Tokareva, 2019)[4]. For example, the relationship Eq. 2.3.2 may represent a physical process for
which some observations are available but the analytical relation Eq. 2.3.1 has not yet been
established. The prototypical problem of finding roots of a quadratic equation was selected as a proxy
for the following reasons that are relevant to many complex practical problems:
• It is a fairly simple problem that is familiar to everyone who would be reading this paper. Yet,
it is good representative a wide class of approximation problem in scientific computing.
• Finding solution involves different arithmetic operations some of which could be difficult to
model by machine learning techniques. For example, division and taking of a square root
represent a challenge for neural networks to capture exactly using activation functions.
• There are situations when a particular form of analytic expression/algorithm may exhibit
loss of accuracy. For example, the analytic expression Eq. 2.3.1 for the larger root is
numerically inaccurate when b is much larger than 4ac.
• The roots of quadratic equation under certain condition exhibit some non-trivial behavior.
There are several branches in the solution: if a = 0, the quadratic equation becomes a linear
equation, which has one root – this is a qualitative change from one regime to a different one;
depending on the discriminant the number of roots as well as the nature of the roots changes
(real vs. complex).
 13

• Probably, the most significant challenge from the standpoint of ML is that there is a small
range of input parameters for which output values are increasingly large (corresponding to
small values of a).
We will now explain what we mean by learning the relation Eq. 2.3.2. Assume we are provided a
number of observations (training set):

(ai , bi , c i ) → (rLi , rRi ) , i = 1, 2, , , , , , , N

Eq. 2.3.3
where (riL; riR) satisfy Eq. 2.3.1 exactly. From the training data Eq. 2.3.3 we will try to predict the
relation Eq. 2.3.2 on a new previously unseen data (aj; bj; cj):

j j j j
(aj , b j , c j ) → (r̅L , r̅R ) ≈ (rL , rR ) , j = N + 1, , , , , , , , N + K
Eq. 2.3.4
The goal is to minimize mismatches between the estimates (˜rjL; ˜rjR) and the testing data (rjL; rjR)

j j 2 j j 2
Cost = ∑(rL − r̅L ) + ∑(rR − r̅R )
j j
Eq. 2.3.5
Since the testing data is not available during the training process the minimization is performed on
the training set with the idea that the training and the testing set are selected from the same pool.
The above setup is the typical ML setup. In this work our goal was to compare the performance of
several existing ML approaches for the case of a quadratic equation.
2.3.6 References
[1] Sutton, R.S., Barto, A.G.: Reinforcement Learning: An Introduction, vol. 1. MIT Press, Cambridge
(1998)
[2] Mnih, V., Kavukcuoglu, K., Silver, D., et al.: Human-level control through deep reinforcement
learning. Nature 518, 529 (2015)
[3] arXiv:2110.02083 [physics. flu-dyn]
[4] Gyrya, V., Shashkov, M., Skurikhin, A., & Tokareva, S. (2019). Machine learning approaches for the
solution of the Riemann problem in fluid dynamics: a case study. Journal of Computational Physics.
[5] Pandey, S., Schumacher, J., & Sreenivasan, K. R. (2020). A perspective on machine learning in
turbulent flows. Journal of Turbulence.

2.4 Deep Learning

Using Machine Learning to build data-driven models in fluid mechanics is usually achieved by
Artificial Neural Networks (ANN). The situation is commonly refer to as Deep learning. It is also
important to realize that machine learning is not an automatic or turn-key procedure for extracting
models from data. Instead, it requires expert human guidance at every stage of the process, from
deciding on the problem, to collecting and curating data that might inform the model, (Brunton,
2021)[1]. The ANNs are inspired by our understanding of the biology of our brains all those
interconnections between the neurons (Copeland, 2010)[2]. But, unlike a biological brain where any
neuron can connect to any other neuron within a certain physical distance, these artificial neural
networks have discrete layers, connections, and directions of data propagation. You might, for
example, take an image, chop it up into a bunch of tiles that are inputted into the first layer of the
neural network. In the first layer individual neurons, then passes the data to a second layer. The
second layer of neurons does its task, and so on, until the final layer and the final output is produced.
Each neuron assigns a weighting to its input; how correct or incorrect it is relative to the task being
 14

performed. The final output is then

determined by the total of those
weightings. So think of our stop sign
example. Attributes of a stop sign Deep
image are chopped up and “examined” Learning
by the neurons its octagonal shape, its
fire-engine red color, its distinctive
letters, its traffic-sign size, and its
motion or lack thereof. The neural Machine
Lerning
network’s task is to conclude whether
this is a stop sign or not. It comes up
with a “probability vector,” really a Artifical
highly educated guess, based on the Inteligence
weighting. In our example the system
might be 86% confident the image is a
stop sign, 7% confident it’s a speed
limit sign, and 5% it’s a kite stuck in a
Figure 2.4.1 Schematics of AI, Machine Learning and Deep
tree ,and so on and the network Learning
architecture then tells the neural
network whether it is right or not. In
short, Deep Learning is a technique for implementing Machine Learning. Deep Learning has
enabled many practical applications of Machine Learning and by extension the overall field of AI as
perceived in Figure 2.4.1. Deep Learning breaks down tasks in ways that makes all kinds of
machine assists seem possible, even likely. Driverless cars, better preventive healthcare, even better
movie recommendations, are all here today or on the horizon. Today, image recognition by machines
trained via deep learning in some scenarios is better than humans, and that ranges from cats to
identifying indicators for cancer in blood and tumors in MRI scans. Google’s AlphaGo learned the
game, and trained for its Go match it tuned its neural network by playing against itself over and over
and over. As a starting point, users are encouraged to the applicability of a Deep Neural Network
(DNN) approach to simulate one-dimensional non-relativistic fluid dynamics, as presented by
(Taradiy et al.)[3]. A prime example of deep learning would be ChatGPT from Open AI, which is a
conversational AI-powered chatbot designed to answer questions and respond to queries in text
form in a way that sounds natural and human.
2.4.1 References
[1] arXiv:2110.02083 [physics. flu-dyn]
[2] Copeland, M. (2010). What’s the Difference Between Artificial Intelligence, Machine Learning, and
Deep Learning?
[3] Kirill Taradiy, Kai Zhou, Jan Steinheimer, Roman V. Poberezhnyuk, Volodymyr Vovchenko, and
Horst Stoecker, “Machine learning based approach to fluid dynamics”, arXiv:2106.02841v1 [physics
.comp-ph], 2021.

2.5 Algorithms and Types of Problems

Machine learning tasks are typically classified into three broad categories, depending on the nature
of the learning "signal" or "feedback" available to a learning system. As identified before, these are:
2.5.1 Supervised Learning
This algorithm consist of a target/outcome variable (or dependent variable) which is to be predicted
from a given set of predictors (independent variables). Using these set of variables, we generate a
function that map inputs to desired outputs. The training process continues until the model achieves
a desired level of accuracy on the training data. Examples of Supervised Learning: Regression,
 15

Decision Tree, Random Forest, KNN, Logistic Regression etc. [1]

Supervised learning implies the availability of corrective information to the learning machine. In its
simplest and most common form, this implies labeled training data, with labels corresponding to the
output of the ML. Minimization of the cost function, which implicitly depends on the training data,
will determine the unknown parameters of the LM. In this context, supervised learning dates back
to the regression and interpolation methods proposed centuries ago (Figure 2.5.1). A commonly
employed loss function is :
L(y, φ(x, y, w) = ‖y − φ(x, y, w)‖2
Eq. 2.5.1
Alternative loss functions may reflect
different constraints on the learning
machine such as sparsity. The choice of
the approximation function reflects
prior knowledge about the data and the
choice between linear and nonlinear
methods directly bears on the
computational cost associated with the
learning methods [2].
2.5.2 Unsupervised Learning
In this algorithm, we do not have any
target or outcome variable to
predict/estimate. It is used for Figure 2.5.1 A Learning Machine Uses Inputs From a
clustering population in different Sample Generator and Observations from a System to
groups, which is widely used for Generate an Approximation of its Output (Credit:
Cherkassky & Mulier (2007))
segmenting customers in different
groups for specific intervention.
Examples of Unsupervised Learning: A priori algorithm, K-means.
2.5.3 Semi-supervised Learning
Semi-supervised learning is a hybrid machine learning approach that combines labeled and
unlabeled data for training. It leverages the limited labeled data and a larger set of unlabeled data to
improve the learning process. The idea is that the unlabeled data provide additional information and
context to enhance the model's understanding and performance. By utilizing the unlabeled data
effectively, semi-supervised learning can overcome the limitations of relying solely on labeled data.
This approach is particularly useful when acquiring labeled data is expensive or time-consuming.
Semi-supervised learning techniques can be applied to various tasks, such as classification,
regression, and anomaly detection, allowing models to make more accurate predictions and
generalize better in real-world scenarios (Simon Tavasoli)1.
2.5.4 Reinforcement Learning
Using this algorithm, the machine is trained to make specific decisions. It works this way: the machine
is exposed to an environment where it trains itself continually using trial and error. This machine
learns from past experience and tries to capture the best possible knowledge to make accurate
business decisions. Example of Reinforcement Learning: Markov Decision Process [3].
2.5.5 References
[1] Sunil, Ray, “Essentials of Machine learning Algorithms (with Python and R codes)”, August 2015.
[2] Steven L. Brunton, Bernd R. Noack, and Petros Koumoutsakos, “Machine Learning for Fluid
Mechanics”, Annual Review of Fluid Mechanics , January 2020.

1 Top 10 Machine Learning Algorithms For Beginners: Supervised, and More

 16

[3] Same as Previous

2.6 List of Common Machine Learning Algorithms

Here is the list of commonly used machine learning algorithms. These algorithms can be applied to
almost any data problem where we explain a little bit of the first four. (see Table 2.6.1).

Algorithms Machine Learning

Linear Regression supervised
Logistic Regression supervised
Decision Tree supervised
Artificial Neural Networks (ANNs) supervised
Support Vector Machine (SVM) supervised
K-Nearest Neighbors (KNN) supervised
K-Means Un-supervised
Random Forest supervised
Dimensionality Reduction Algorithms (POD/PCA) Un-supervised
Genetic algorithms supervised
Q-learning Semi-supervised
Markov Decision Process reinforcement
Table 2.6.1 Machine learning algorithms may be categorized into supervised,
unsupervised, and semi-supervised, depending on the extent and type of information
available

2.6.1 Linear Regression

It is used to estimate real values (cost of houses, number of calls, total sales etc.) based on continuous
variable(s). Here, we establish relationship between independent and dependent variables by fitting
a best line. This best fit line is known as regression line and represented by a linear equation Y = a ⋆
X + b. The best way to understand linear regression is to relive this experience of childhood. Let us
say, you ask a child in fifth grade to arrange people in his class by increasing order of weight, without
asking them their weights! What do
you think the child will do? He / she
would likely look (visually analyze)
at the height and build of people and
arrange them using a combination of
these visible parameters. This is
linear regression in real life! The
child has actually figured out that
height and build would be correlated
to the weight by a relationship,
which looks like the equation above.
In this equation, Y-Dependent
Variable, a-Slope, X-Independent
variable and b-Intercept. These
coefficients a and b are derived based
on minimizing the sum of squared
difference of distance between data
points and regression line. Look at Figure 2.6.1 Linear Regression
the below example. Here we have
 17

identified the best fit line having linear equation y = 0.2811 x +13.9 (see Figure 2.6.1). Now using
this equation, we can find the weight, knowing the height of a person. Linear Regression is of mainly
two types: Simple Linear Regression and Multiple Linear Regression. Simple Linear Regression is
characterized by one independent variable. And, Multiple Linear Regression(as the name suggests)
is characterized by multiple (more than 1) independent variables. While finding best fit line, you can
fit a polynomial or curvilinear regression. And these are known as polynomial or curvilinear
regression [1].
2.6.2 Logistic Regression
Don’t get confused by its name! It is a classification not a regression algorithm. It is used to estimate
discrete values ( Binary values like 0/1, yes/no, true/false ) based on given set of independent
variable(s). In simple words, it predicts the probability of occurrence of an event by fitting data to a
logit function. Hence, it is also known as logistic regression. Since, it predicts the probability,
its output values lies between 0 and 1 (as expected). Again, let us try and understand this through a
simple example. Let’s say your friend gives you a puzzle to solve. There are only 2 outcome scenarios
; either you solve it or you don’t. Now imagine, that you are being given wide range of puzzles/
quizzes in an attempt to understand which subjects you are good at. The outcome to this study would
be something like this ; if you are given a trigonometry based tenth grade problem, you are 70%
likely to solve it. On the other hand, if it is grade fifth history question, the probability of getting an
answer is only 30%. This is what Logistic Regression provides you. Coming to the math, the log odds
of the outcome is modeled as a linear combination of the predictor variables odds = p/(1 - p) =
probability of event occurrence / probability of not event occurrence. ln(odds) = ln(p/(1 - p)),
logit(p) = ln(p/(1 - p)). Above, p is the probability of presence of the characteristic of interest. It
chooses parameters that maximize the likelihood of observing the sample values rather than
that minimize the sum of squared errors (like in ordinary regression). Now, you may ask, why take a
log? For the sake of simplicity, let’s just say that this is one of the best mathematical way to replicate
a step function. It can go in more details, but that will beat the purpose of this article.
2.6.3 Decision Tree
This is favorite algorithm and used
it quite frequently. It is a type of
supervised learning algorithm that
is mostly set for classification
problems [2]. Surprisingly, it
works for both categorical and
continuous dependent variables.
In this algorithm, we split the
population into two or more
homogeneous sets. This is done
based on most significant
attributes/ independent variables
to make as distinct groups as
possible. In the image above, you
can see that population is
classified into four different
groups based on
multiple attributes to identify
Figure 2.6.2 Decision Tree
‘if they will play or not’. To split
the population into different
heterogeneous groups, it uses various techniques (Figure 2.6.2).
 18

2.6.4 References
[1] Sunil, Ray, “Essentials of Machine learning Algorithms (with Python and R codes)”, August 2015.
[2] Same as Above
 19

3 Artificial Neutral Networks (ANNs)

3.1 Preliminaries
Computational model used in machine learning,
computer science and other research
disciplines, which is based on a large collection
of connected simple units called artificial
neurons, loosely analogous to axons in a
biological brain. Connections between neurons
carry an activation signal of varying strength. If
the combined incoming signals are strong
enough, the neuron becomes activated and the
signal travels to other neurons connected to it.
Such systems can be trained from examples,
rather than explicitly programmed, and excel in
areas where the solution or feature detection is
difficult to express in a traditional computer
program. Like other machine learning Figure 3.1.1 Artificial Neural Network (ANN)
methods, neural networks have been used to
solve a wide variety of tasks, like computer vision and speech recognition, that are difficult to solve
using ordinary rule-based programming. Typically, neurons are connected in layers, and signals
travel from the first (input), to the last (output) layer. Modern neural network projects typically have
a few thousand to a few million neural units and millions of connections; their computing power is
similar to a worm brain, several orders of magnitude simpler than a human brain. The signals and
state of artificial neurons are real numbers, typically between 0 and 1. There may be a threshold
function or limiting function on each connection and on the unit itself, such that the signal must
surpass the limit before propagating. Back propagation is the use of forward stimulation to modify
connection weights, and is sometimes done to train the network using known correct outputs.
However, the success is unpredictable: after training, some systems are good at solving problems
while others are not. Training typically requires several thousand cycles of interaction, (see Figure
3.1.1).
The goal of the neural network is to solve problems in the same way that a human would, although
several neural network categories are more abstract. New brain research often stimulates new
patterns in neural networks. One new approach is use of connections which span further to connect
processing layers rather than adjacent neurons. Other research being explored with the different
types of signal over time that axons propagate, such as deep learning, interpolates greater complexity
than a set of Boolean variables being simply on or off. Newer types of network are more free flowing
in terms of stimulation and inhibition, with connections interacting in more chaotic and complex
ways. Dynamic neural networks are the most advanced, in that they dynamically can, based on rules,
form new connections and even new neural units while disabling others. Historically, the use of
neural network models marked a directional shift in the late 1980s from high-level (symbolic)
artificial intelligence, characterized by expert systems with knowledge embodied in if-then rules, to
low-level (sub-symbolic) machine learning, characterized by knowledge embodied in the parameters
of a cognitive model with some dynamical system. A simple example provided below demonstrates
a better explanation.
 20

3.2 Types of Neutral Networks

3.2.1 Perceptron
The Perceptron is the most basic and oldest
form of neural networks (Pavan Vadapalli)2. It
consists of just 1 neuron which takes the input
and applies activation function on it to produce
a binary output. It doesn’t contain any hidden
layers and can only be used for binary
classification tasks. The neuron does the
processing of addition of input values with their
weights. The resulted sum is then passed to the
activation function to produce a binary output.
(see Figure 3.2.1).
3.2.2 Feed Forward Network Figure 3.2.1 Perceptron
The Feed Forward (FF) networks consist of
multiple neurons and hidden layers which are connected to each other. These are called “feed-
forward” because the data flow in the forward direction only, and there is no backward propagation
(Figure 3.1.1). Hidden layers might not be necessarily present in the network depending upon the
application. More the number of layers more can be the customization of the weights. And hence,
more will be the ability of the network to learn. Weights are not updated as there is no
backpropagation. The output of multiplication of weights with the inputs is fed to the activation
function which acts as a threshold value.
3.2.3 Multi-Layer Perceptron
The main shortcoming of the Feed Forward networks was its inability to learn with backpropagation.
Multi-layer Perceptron’s are
the neural networks which
incorporate multiple hidden
layers and activation functions
(Figure 3.2.2). The learning
takes place in a Supervised
manner where the weights are
updated by the means of
Gradient Descent. Multi-layer
Perceptron is bi-directional, i.e.,
Forward propagation of the
inputs, and the backward
propagation of the weight
updates. The activation
functions can be changes with
respect to the type of target. Figure 3.2.2 Multi-Layer Perceptron Architecture
These are also called dense
networks because all the
neurons in a layer are connected to all the neurons in the next layer. They are used in Deep Learning
based applications but are generally slow due to their complex structure.
3.2.4 Radial Basis Networks
Radial Basis Networks (RBN) use a completely different way to predict the targets. It consists of

2 Pavan Vadapalli Director of Engineering @ upGrad, 2020.

 21

an input layer, a layer with RBF neurons and an output. The RBF neurons store the actual classes for
each of the training data instances. The RBN are different from the usual Multilayer perceptron
because of the Radial Function used as an
activation function.
When the new data is fed into the neural
network, the RBF neurons compare the
Euclidian distance of the feature values
with the actual classes stored in the
neurons. This is similar to finding which
cluster to does the particular instance
belong. The class where the distance is
minimum is assigned as the predicted class.
The RBNs are used mostly in function
approximation applications like Power
Restoration systems. (Figure 3.2.3).
3.2.5 Convolutional Neural Networks
When it comes to image classification, the
most used neural networks are
Convolution Neural Networks (CNN). Figure 3.2.3 Radial Basis Function
CNN contain multiple convolution layers
which are responsible for the extraction of important features from the image (Figure 3.2.4). The
earlier layers are responsible for low-level details and the later layers are responsible for more high-
level features. The Convolution operation uses a custom matrix, also called as filters, to convolute
over the input image and produce maps. These filters are initialized randomly and then are updated
via backpropagation. One example of such a filter is the Canny Edge Detector, which is used to find
the edges in any image.

Figure 3.2.4 Convolutional Neural Networks

After the convolution layer, there is a pooling layer which is responsible for the aggregation of the
maps produced from the convolutional layer. It can be Max Pooling, Min Pooling, etc. For
regularization, CNNs also include an option for adding dropout layers which drop or make certain
neurons inactive to reduce overfitting and quicker convergence. CNNs use ReLU (Rectified Linear
Unit) as activation functions in the hidden layers. As the last layer, the CNNs have a fully connected
dense layer and the activation function mostly as Softmax for classification, and mostly ReLU for
regression.
 22

3.2.6 Recurrent Neural Networks

Recurrent Neural Networks (RNN) come into picture
when there’s a need for predictions using sequential data
(Figure 3.2.5). Sequential data can be a sequence of
images, words, etc. The RNN have a similar structure to
that of a Feed-Forward Network, except that the layers
also receive a time-delayed input of the previous
instance prediction. This instance prediction is stored in
the RNN cell which is a second input for every prediction.
However, the main disadvantage of RNN is the Vanishing
Gradient problem which makes it very difficult to
remember earlier layers’ weights.
3.2.7 Physics-Informed Neural Networks (PINN)
Physics-informed neural networks (PINNs) are a type
of universal function approximators that can embed the Figure 3.2.5 Recurrent Neural
knowledge of any physical laws that govern a given data- Networks (RNN)
set in the learning process, and can be described by
(PDEs)3 (Figure 3.2.6). They overcome the low data availability of some biological and engineering
systems that makes most state-of-the-art machine learning techniques lack robustness, rendering
them ineffective in these scenarios. The prior knowledge of general physical laws acts in the training
of neural networks (NNs) as a regularization agent that limits the space of admissible solutions,
increasing the correctness of the function approximation. This way, embedding this prior
information into a neural network results in enhancing the information content of the available data,
facilitating the learning algorithm to capture the right solution and to generalize well even with a low
amount of training

Figure 3.2.6 Physics-informed neural networks for solving Navier–Stokes equations

3 Wikipedia
 23

3.2.8 Case Study - Prediction & Comparison of the Maximal Wall Shear Stress (MWSS) for Carotid
Artery Bifurcation
Steady state simulations for 1886 geometries were undertaken and MWSS values were calculated for
each of them. This dataset was used for training and testing following data mining algorithms; k-
nearest neighbors, linear regression, neural network: multilayer perceptron, random forest and
support vector machine. The results are based on Relative Root Mean Square (RMSE):

fi = desired value (target)

∑ni=1(fi − f̂i )2
RMSE = n , { f̂i = predicted value (predicted using dataminig algorithm)
∑i=1(fi − f̄i )2
f̄i = average value (average value of MWS for all 1886 samples)

0 ≤ RMSE ≤ 1 Model RMSE

Eq. 3.2.1 K-Nearest Neighbors 0.760
Visualization of the global importance of features
used for modeling MWSS. The horizontal axis of Linear Regression 0.748
each diagram denotes the values of particular Neural Network 0.140
feature and the vertical axis denotes the Random Forest 1.127
respective average contribution value for that
Support Vector Machin 0.612
particular feature value. The application of the
model explanation methodology results in
quantitatively describing how much features and Table 3.2.1 Results of Different Methods
their individual values, on average, influence the
target prediction values of the model. Visualization of the global importance of features used for
modeling MWSS. The horizontal axis of each diagram denotes the values of particular feature and the
vertical axis denotes the respective average contribution value for that particular feature value. The
application of the model explanation methodology results in quantitatively describing how much
features and their individual values, on average, influence the target prediction values of the model.
(See

Figure 3.2.7 Maximal Wall Shear Stress (MWSS) Value for Carotid Artery Bifurcation

Table 3.2.1 and Figure 3.2.7).

 24

3.3 Machine Learning & Fluid Dynamics

According to editorial by (Brunton et al.)[8], machine learning (i.e., modern data-driven optimization
and applied regression) is a rapidly growing field of research that is having a profound impact across
many fields of science and engineering. In the past decade, machine learning.

3.4 Field Inversion and Machine Learning in Support of Data Driven Environment
A machine learning technique such as an
Artificial Neural Network (ANN) can
adequately describe by its field inversion on
data driven context. The Calibration Cases
(offline data) where few configuration data
(DNS or Experimental data) such as the one
showing in Figure 3.4.1. The Prediction
cases (Machine Learning with no data) has
similar configuration with different; (1) Twist,
(2) Sweep angles, and (3) Airfoil shape4. The
challenge in predictive modeling, however, is
to extract an optimal model form that is Figure 3.4.1 Calibration Cases for off Line Data
sufficiently accurate. Constructing such a
model and demonstrating its predictive
capabilities for a class of problems is the objective.

3.5 Kernel of the Artificial Neural Networks (ANNs)

The functional relationship b(η), where η = [η1, η2, , , , ηM]T are input features derived from mean-
field variables that will be available during the predictive solution process. The functional
relationship must be developed by considering the output of a number of inverse problems
representative of the modeling deficiencies relevant to the predictive problem. Further, as explained

Figure 3.5.1 Network Diagram for a feed-forward NN with three inputs and one output

4Heng Xiao, “Physics-Informed Machine Learning for Predictive Turbulence Modeling: Status, Perspectives,
and Case Studies”, Machine Learning Technologies and Their Applications to Scientific and Engineering
Domains Workshop, August 17, 2016.
 25

below, elements of the feature vector η are chosen to be locally non-dimensional quantities. The
standard NN algorithm operates by constructing linear combinations of inputs and transforming
them through nonlinear activation functions5. The process is repeated once for each hidden layer
(marked blue in Figure 3.5.1) in the network, until the output layer is reached. Figure 3.5.1
presents a sample ANN where a Network diagram for a feed-forward NN with three inputs, two
hidden layers, and one output. For this sample network, the values of the hidden nodes z1,1 through
z1,H1 would be constructed as
3
1
z1,i = a1 (∑ wi,j ηi )
i=1
Eq. 3.5.1
where a1 and w1i,j are the activation function and weights associated with the first hidden layer,
respectively. Similarly, the second layer of hidden nodes is constructed a

H1

z2,j = a2 (∑ wi,j2 z1,i )

i=1
Eq. 3.5.2
Finally, the output is
H2

y ≈ f(η) = a3 (∑ wi,j3 z2,i )

i=1
Eq. 3.5.3
Given training data, error back-propagation algorithms6 are used to find wnij . Once the weights are
found, computing the output depends only on the number of hidden nodes, and not on the volume of
the training data. Hyper-parameters of the NN method include the number of hidden layers, the
number of nodes in each hidden layer, and the forms of the activation functions. Typically, 3 layers
and about 100 nodes were employed with a sigmoid activation function.
3.5.1 The POD as Linear Artificial Neural Network (LANN)
A model reduction can be accomplished by projecting the model equations, i.e. the Navier-Stokes
equations, on a properly selected lower dimensional phase subspace. A reasonable choice for a
proper selection criterion for the base of this manifold is the maximization of the energy content of
the projection7. This can be done by applying the Karhunen-Loeve decomposition to a data set that
is representative of the dynamics of the system that we wish to approximate. This operation is called
Proper Orthogonal Decomposition (POD)8. The linear POD is an approximation of the flow vector
v by a finite expansion of orthonormal functions φn such that:

5 Singh, A. P., Medida, S., & Duraisamy, K. (2016). Machine Learning-augmented Predictive Modeling of
Turbulent Separated. arXiv:1608.03990v3 [cs.CE].
6 Zhang, Z. J. and Duraisamy, K., “Machine Learning Methods for Data-Driven Turbulence Modeling,” 22nd AIAA

Computational Fluid Dynamics Conference, AIAA Aviation, (AIAA 2015-2460), Dallas, TX, Jun 2015.
7 S. Muller , M. Milano and P. Koumoutsakos, “Application of machine learning algorithms to flow modeling and

optimization”, Center for Turbulence Research Annual Research Briefs 1999.

8 Berkooz, G., Holmes, P. & Lumley, J. L. “The proper orthogonal decomposition in the analysis of turbulent

flows”,Ann. Rev. Fluid Mech. 25, 539-575, 1993.

 26

v = V + ∑ an (t)φn (x)
i=1
Eq. 3.5.4
where V is the time averaged flow, φn is the set of the first n eigenvectors of the covariance matrix C
= E [(vi−V )(vj −V )]; when this representation for v is substituted in the Navier Stokes equations, the
original PDE model is transformed in an ODE model, composed by n equations. The POD can be
expressed as a multi-layer feed-forward neural network. Such a network is defined by the number of
layers, the specification of the output function for the neurons in each layer, and the weight matrices
for each layer. [Baldi and Hornik]9 have shown that training a linear neural network structure to
perform an identity mapping on a set of vectors is equivalent to obtaining the POD of this set of
vectors. A neural network performing the linear POD can be specified as a 2 layer linear network:

x = W1 v
v̂ = W2 x
Eq. 3.5.5
where ^v is the reconstructed field, v is the original flow field, having N components, x is the reduced
order representation of the field, having n components, and W1 and W2 are the network weight
matrices, of sizes N x n and n x N respectively. Non-linearity can be introduced by a simple extension
to this basic network:

x = W2 tanh(W1 v)
v̂ = W4 tanh(W3 x)
Eq. 3.5.6
This corresponds to a neural network
model with 4 layers: the first one,
with an m x N weight matrix W1,
nonlinear; the second one, with an n x
m weight matrix W2, linear; the third
one, also nonlinear, with an m x n
weight matrix W3, and the last one,
linear with an N x m weight matrix
W4. However, the resulting system of
ODEs is more involved as compared
to the one resulting from the
application of the linear POD.
3.5.1.1 POD and Nonlinear ANN
A simple comparison of POD and
nonlinear ANN is provided by the
reconstruction of the velocity field in
the stochastically forced Burger's
Figure 3.5.2 Comparison of linear POD (top) and Neural
equation a classical 1D model for
Networks (bottom)
turbulent flow [Chambers]10. The

9 Baldi, P. & Hornik, K., “ Neural networks and principal component analysis: Learning from examples without
local minima”. Neural Networks. 2, 53-58, 1989.
10 Chambers, D. H., Adrian R. J., Moin, P. & Stewart, S.,”Karhunen-Loeve expansion of Burgers model of turbulence”.

Phys Fluids. 31, 2573-2582, 1998.

 27

linear POD was used to obtain a set of 256 linear Eigen functions using 10000 snapshots extracted
from a simulation. Using the first 7 Eigen functions it is possible to reconstruct the original flow field,
keeping the 90 percent of the energy. A nonlinear neural network was trained on the same data set
to perform the identity mapping: this network is composed by 256 inputs and 4 layers having
respectively 64 nonlinear neurons, 7 linear neurons, 64 nonlinear neurons, and 256 linear neurons.
For validation purposes, a data set of 1000 snapshots, not used in the training phase, was used. In
Figure 3.5.2 it is possible to appreciate the reconstruction performances of both the approaches;
the proposed nonlinear ANN clearly outperforms the linear POD (top) using a velocity field in Burgers
equation.

3.6 Overview of ANNs in Turbulence Applications

Turbulent flows generally exhibit multi-scale (spatial and temporal) physics that are high
dimensional with rotational and translational intermittent structures also present. Such data provide
an opportunity for ANN to make an impact in the modelling and analysis of turbulent flow fields.
(Ling, J., Kurzawski, A. & Templeton, J., 2016)11 have proposed using ANNs for Reynolds Averaged
Navier Stokes (RANS) models which are widely used because of their computational tractability in
modelling the rich set of dynamics induced by turbulent flows. In this highlighted body of work, the
specific aim is to use ANNs to build an improved representation of the Reynolds stress anisotropy
tensor from high-fidelity simulation data. Remarkably, despite the widespread success of ANNs at
providing high-quality predictions in complex problems, there have been only limited attempts to
apply deep learning techniques to turbulence. Thus far, these attempts have been limited to a couple
hidden layers. Figure 3.6.1 shows Skin Friction Coefficient for Onera M6 wing to be matched within
2%12.

True Machine Learning

Figure 3.6.1 Skin Friction Coefficient for Onera M6 match to within 2%

Other researchers such as (Romit Maulik et al.)13, tried using an open source module (TensorFlow),
within the OpenFOAM. It outline the development of a data science module within OpenFOAM which
allows for the in-situ deployment of trained deep learning architectures for general-purpose

11 Ling, J., Kurzawski, A. & Templeton, J. “Reynolds averaged turbulence modelling using deep neural networks
with embedded invariance”, J. Fluid Mech 807, 155–166, 2016.
12 Karthik Duraisamy, “A Framework for Turbulence Modeling using Big Data”, NASA Aeronautics Research

Mission Directorate (ARMD) LEARN/Seedling Technical Seminar January 13-15, 2015.

13 Maulik, R., Sharma, H., Patel, S., Lusch, B., & Jennings, E. (2020). Deploying deep learning in OpenFOAM with

TensorFlow. ArXiv, abs/2012.00900.

 28

Figure 3.6.2 Contour plots for a backward facing step. Note that the training of the ML surrogate did
not include data for the shown step height.

predictive tasks. This is constructed with the TensorFlow C API and is integrated into OpenFOAM as
an application that may be linked at run time. In this experiment, the different geometries are all
backward facing steps with varying step heights (ℎ). Once trained, the steady-state eddy-viscosity
emulator may be used at the start of the simulation (by observing the initial conditions) following
which solely the pressure and velocity equations need to be solved to convergence. We outline
results from one such experiment (backward steps), where the geometry is ‘unseen’, in Figure 3.6.2.

3.7 The Future of ANNs for Fluids Modelling

ANNs will almost certainly have a transformative impact on modelling high dimensional complex
systems such as turbulent flows. The successes with many complex data sets will compel researchers
to utilize this rapidly emerging data analysis tool for improving predictive capabilities. ANNs
represent a paradigm shift for the community. Whereas many innovations have often been inspired
from expert-in-the-loop intuition and physically interpretable models, ANNs have challenged these
traditional notions by building prediction engines that simply outperform competing methods
without providing clear evidence of why they are doing so. To some extent, the application of ANNs
to turbulent flows will bring awareness to the fluids community of the two cultures of statistics and
data science. These two outlooks are centered around the concepts of machine learning and
statistical learning. The former focuses on prediction (ANNs) while the latter is concerned with
inference of interpretable models from data (POD/DMD reductions). Although both methodologies
have achieved significant success across many areas of big data analytics, the physical and
engineering sciences have primarily focused on interpretable methods. Despite its successes,
significant challenges remain for ANNs. Simple questions remains:
1. How many layers are necessary for a given data set?
2. How many nodes at each layer are needed?
3. How big must my data set be to properly train the network?
4. What guarantees exist that the mathematical architecture can produce a good predictor of
the data?
5. What is my uncertainty and/or statistical confidence in the ANN output?
 29

6. Can I actually predict data well outside of my training data?

7. Can I guarantee that I am not overfitting my data with such a large network?
And the list goes on. These questions remain central to addressing the long-term viability of ANNs.
The good news is that such topics are currently being intensely investigated by academic researchers
and industry (Google, Facebook, etc.) alike. Undoubtedly, the next decade will witness significant
progress in addressing these issues. From a practical standpoint, the work of determine the number
of layers and nodes based upon prediction success, i.e. more layers and more nodes do not improve
performance. Additionally, cross-validation is imperative to suppress overfitting. As a general rule,
one should never trust results of a ANN unless rigorous cross-validation has been performed. Cross-
validation plays the same critical role as a convergence study of a numerical scheme. Given the
computational maturity of ANNs and how readily available they are, it is perhaps time for part of the
turbulence modelling community to adopt what has become an important and highly successful part
of the machine learning culture: challenge data sets.

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