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Machine Learning for Fluid Mechanics

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Machine Learning for Fluid
Mechanics
Steven L. Brunton,1 Bernd R. Noack,2 and
Petros Koumoutsakos3
1
Mechanical Engineering, University of Washington, Seattle, WA, USA, 98115;
2
Laboratoire d’Informatique pour la Mécanique et les Sciences de l’Ingénieur,
LIMSI-CNRS, Rue John von Neumann, Campus Universitaire d’Orsay, Bât 508,
F-91403 Orsay, France
3
Computational Science and Engineering Laboratory, ETH Zurich, CH-8092,
Switzerland,email: [email protected]

Xxxx. Xxx. Xxx. Xxx. YYYY. AA:1–31 Keywords


https://doi.org/10.1146/((please add machine learning, data-driven modeling, optimization, control
article doi))

Copyright c YYYY by Annual Reviews. Abstract


All rights reserved
The field of fluid mechanics is rapidly advancing, driven by unprece-
dented volumes of data from experiments, field measurements, and
large-scale simulations at multiple spatiotemporal scales. Machine
learning presents us with a wealth of techniques to extract information
from data that can be translated into knowledge about the underlying
fluid mechanics. Moreover, machine learning algorithms can augment
domain knowledge and automate tasks related to flow control and op-
timization. This article presents an overview of past history, current
developments, and emerging opportunities of machine learning for fluid
mechanics. We outline fundamental machine learning methodologies
and discuss their uses for understanding, modeling, optimizing, and
controlling fluid flows. The strengths and limitations of these methods
are addressed from the perspective of scientific inquiry that links data
with modeling, experiments, and simulations. Machine learning pro-
vides a powerful information processing framework that can augment,
and possibly even transform, current lines of fluid mechanics research
and industrial applications.

1
Supervised Semi-supervised Un-supervised

Optimization Reinforcement Generative Dimensionality


Classification Regression Clustering
& Control Learning Models Reduction
• SVM, • Linear, • Linear control, • Q-learning, • Generative • K-means, 
 •POD/PCA,
• Decision trees, • Generalized linear, • Genetic algorithms, • Markov decision adversarial K nearest neighb., •Autoencoder,
• Random forests, • Gaussian process, • Deep MPC, processes, networks (GANs) • Spectral •Self-organiz. maps,
• Neural Networks … … • Deep RL … clustering, •Diffusion maps
… … ... …

Figure 1
Organizational overview of various machine learning methods.

1. INTRODUCTION
Fluid mechanics has traditionally dealt with massive amounts of data from experiments,
field measurements, and large-scale numerical simulations. Indeed, in the past few decades
big data has been a reality in fluid mechanics research (Pollard et al. 2016), due to high-
performance computing architectures and advances in experimental measurement capa-
bilities. Over the past 50 years many techniques were developed to handle such data,
ranging from advanced algorithms for data processing and compression, to fluid mechanics
databases (Perlman et al. 2007; Wu & Moin 2008). However, the analysis of fluid mechanics
data has largely relied on domain expertise, statistical analysis, and heuristic algorithms.
The growth of data today is widespread across scientific disciplines, and gaining insight
and actionable information from data has become a new mode of scientific inquiry as well
as a commercial opportunity. Our generation is experiencing an unprecedented confluence
of 1) vast and increasing volumes of data, 2) advances in computational hardware and
reduced costs for computation, data storage and transfer, 3) sophisticated algorithms, 4)
an abundance of open source software and benchmark problems, and 5) significant and
ongoing investment by industry. These advances have, in turn, fueled renewed interest and
Machine learning:
Algorithms that progress in the field of machine learning (ML) to extra information from this data. Machine
process and extract learning is now rapidly making inroads in fluid mechanics. These learning algorithms may
information from be categorized into supervised, semi-supervised, and unsupervised learning (see Fig. 1),
data. They facilitate depending on the information available about the data to the learning machine.
automation of tasks Machine learning provides a modular and agile modeling framework that can be tailored
and augment human
domain knowledge. to address many challenges in fluid mechanics, such as reduced-order modeling, experimental
They are linked to data processing, shape optimization, turbulence closure modeling, and control. As scientific
learning processes inquiry shifts from first principles to data-driven approaches, we may draw a parallel with
and are categorized the development of numerical methods in the 1940’s and 1950’s to solve the equations of
as supervised, fluid dynamics. With the increasing prevalence of data-driven methods, fluid mechanics
semi-supervised, or
unsupervised. will both benefit from learning algorithms and present challenges that may further advance
these algorithms to complement human understanding and engineering intuition.
In addition to outlining successes, we must note the importance of understanding how
learning algorithms work and when these methods succeed or fail. It is important to balance
excitement about the capabilities of machine learning with the reality that its application
to fluid mechanics is an open and challenging field. In this context, we also emphasize the
benefit of incorporating domain knowledge about fluid mechanics into learning algorithms.
We envision that the fluid mechanics community can contribute to advances in machine
learning reminiscent of advances in numerical methods in the last century.

2 Brunton, Noack, and Koumoutsakos


Figure 2
First example of learning and automation in experimental fluid mechanics: Rechenberg’s experiments for optimally
corrugated plates for drag reduction using the Galtonbrett (Galton board) as an analog random number generator.
Presented in the joint meeting of the WGLR and DGRR on September 16, 1964 in the Berlin Kongresshalle with the title:
“Kybernetische Lösungsansteuerung einer experimentellen Forschungsaufgabe” (Rechenberg 1964).

1.1. Historical Overview


Machine learning and fluid dynamics share a long and possibly surprising history of inter-
faces. In the early 1940’s Kolmogorov, a founder of statistical learning theory, considered
turbulence as one of its prime application domains (Kolmogorov 1941). Advances in ma-
chine learning in the 1950’s and 1960’s were characterized by two distinct developments.
On one side we may distinguish cybernetics (Wiener 1965) and expert systems designed to
emulate the thinking process of the human brain, and on the other side, “machines” like the
perceptron (Rosenblatt 1958) aimed to automate processes such as classification and regres- Perceptron: The first
sion. The use of perceptrons for classification created significant excitement. However, this learning machine: A
excitement was quenched by findings that their capabilities had severe limitations (Minsky network of binary
& Papert 1969). Minsky and Papert attributed this deficiency to the fact that percep- decision units used
trons contained one layer and conjectured (without proof!) that the same limitations apply for classifica-
tion (Rosenblatt
to more layers. The reduced interest in perceptrons was soon accompanied by a reduced 1958).
interest in artificial intelligence in general.
An alternative branch of machine learning, closely related to budding ideas of cyber-
netics in the early 1960’s, was pioneered by two graduate students: Ingo Rechenberg and
Hans-Paul Schwefel at TU Berlin. They performed experiments in a wind tunnel on a
corrugated structure composed of 5 linked plates with the goal of finding the optimal an-
gles to reduce drag (see Fig. 2). Their breakthrough involved adding random variations to
these angles, where the randomness was generated using a Galton board “analog” random
number generator. The size of the variance was learned (increased/decreased) based on
the success rate (positive/negative) of the experiments. Despite its brilliance, the work of
Rechenberg and Schwefel has received little recognition in the fluid mechanics community,
even though a significant number of applications in fluid mechanics and aerodynamics use
ideas that can be traced back to their work. Renewed interest in the potential of AI for
aerodynamics applications materialized almost simultaneously with the early developments
in computational fluid dynamics in the early 1980’s. Attention was given to expert systems
to assist in aerodynamic design and development processes (Mehta & Kutler 1984).
An indirect link between fluid mechanics and machine learning was the so-called
“Lighthill report” in 1974 that criticized artificial intelligence programs in the UK, as not
delivering on their grand claims. This report played a major role in the reduced fund-
ing and interest in AI in the UK and subsequently in the USA, known as the AI winter.
Lighthill’s main argument was based on his perception that AI would never be able to
address the challenge of the combinatorial explosion between possible configurations in the
parameter space. He used the limitations of language processing systems of that time as
a key demonstration of the failures for AI. In Lighthill’s defense, 40 years ago the powers

www.annualreviews.org • Machine Learning for Fluid Dynamics 3


of modern computers as we know them today may have been difficult to fathom. Indeed
today one may watch Lighthill’s speech on the internet while a machine learning algorithm
automatically provides the captions.
The reawakening of interest in machine learning, and in neural networks in particular,
came in the late 1980’s with the development of the back-propagation algorithm (Rumelhart
et al. 1986). This enabled the training of neural networks with multiple layers, even though
in the early days at most two layers were the norm. Another source of stimulus were the
works by Hopfield (1982); Gardner (1988); Hinton & Sejnowski (1986) who developed links
between machine learning algorithms and statistical mechanics. However, these develop-
ments did not attract many researchers from fluid mechanics. In the early 1990’s a number
of applications of neural networks in flow-related problems were developed in the context of
trajectory analysis and classification for particle tracking velocimetry (PTV) and particle
image velocimetry (PIV) (Teo et al. 1991; Grant & Pan 1995) as well as for identifying the
phase configurations in multi-phase flows (Bishop & James 1993). The link between POD
and linear neural networks (Baldi & Hornik 1989) was exploited in order to reconstruct
turbulence flow fields and the flow in the near wall region of a channel flow using wall only
information (Milano & Koumoutsakos 2002). This application was one of the first to use
multiple layers of neurons to improve compression results, marking perhaps the first use of
deep learning, as it is known today, in the field of fluid mechanics.
The past few years have experienced a renewed blossoming of machine learning applica-
tions in fluid mechanics. Much of this interest is attributed to the remarkable performance
of deep learning architectures, which hierarchically extract informative features from data.
This has led to several advances in data rich and model limited fields such as social sciences
and in companies for which prediction is a key financial factor. Fluid mechanics is not a
model-limited field, and it is rapidly becoming data rich. We believe that this confluence
of first principles and data-driven approaches is unique and has the potential to transform
both fluid mechanics and machine learning.

LEARNING FLUID MECHANICS: FROM LIVING ORGANISMS TO MACHINES


Birds, bats, insects, fish, whales, and other aquatic and aerial lifeforms, perform remarkable feats of fluid
manipulation, optimizing and controlling their shape and motion to harness unsteady fluid forces for agile
propulsion, efficient migration, and other exquisite maneuvers. The range of fluid flow optimization and
control observed in biology is breath-taking, and has inspired humans for millennia. How do these organisms
learn to manipulate the flow environment?
To date, we know of only one species that manipulates fluids through knowledge of the Navier-Stokes
equations. Humans have been innovating and engineering devices to harness fluids since before the dawn
of recorded history, from dams and irrigation, to mills and sailing. Early efforts were achieved through
intuitive design, although recent quantitative analysis and physics-based design have enabled a revolution
in performance over the past hundred years. Indeed, physics-based engineering of fluid systems is a high-
water mark of human achievement. However, there are serious challenges associated with equation-based
analysis of fluids, including high-dimensionality and nonlinearity, which defy closed-form solutions and limit
real-time optimization and control efforts. At the beginning of a new millennium, with increasingly powerful
tools in machine learning and data-driven optimization, we are again learning how to learn from experience.

4 Brunton, Noack, and Koumoutsakos


1.2. Challenges and Opportunities for Machine Learning in Fluid Dynamics
Interpretability: The
Fluid dynamics presents challenges that differ from those tackled in many applications of degree to which a
machine learning, such as image recognition and advertising. In fluid flows it is often im- model may be
portant to precisely quantify the underlying physical mechanisms in order to analyze them. understood or
interpreted by an
Furthermore, fluids flows exhibit complex, multi-scale phenomena whose understanding and
expert human.
control remain to a large extent unresolved. Unsteady flow fields require algorithms capable Generally, models
of addressing nonlinearities and multiple spatiotemporal scales that may not be present in with fewer terms
popular machine learning algorithms. In addition, many prominent applications of machine that are functions of
learning, such as playing the game of Go, rely on inexpensive system evaluations and an physical quantities
are more
exhaustive categorization of the process that must be learned. This is not the case in flu-
interpretable.
ids, where experiments may be difficult to repeat or automate and where simulations may
Generalizability: The
require large-scale supercomputers operating for extended periods of time.
ability of a model to
Machine learning has also become instrumental in robotics, and algorithms such as generalize to new
reinforcement learning are used routinely in autonomous driving and flight. While these examples including
robots operate in fluid environments, it appears that the subtleties of aerodynamics are unseen data.
not a concern, reminiscent of the pioneering days of flight. We believe that fluid mechanics Newton’s second
law, F = ma is
will become relevant to robotics when issues such as energy consumption and reliability in
highly generalizable.
complex flow environments are a concern.
Because fluid mechanics involve a dynamical system, actively or passively manipulating
flow dynamics for an engineering objective may change the nature of the system, making
predictions based on previous data impossible. Although fluid data is vast in some di-
mensions, such as spatial resolution, it may be sparse in others; e.g., it may be expensive
to perform parametric studies. Furthermore, fluids data can be highly heterogeneous, re-
quiring special care when choosing the type of learning machine. In addition, many fluid
systems are non-stationary, and even for stationary flows it may be prohibitively expensive
to obtain statistically converged results.
Fluid dynamics are central to transportation, health, and defense systems, and it is,
therefore, essential that machine learning solutions are interpretable, explainable, and gen-
eralizable. Moreover, it is often necessary to provide guarantees on performance, which are
presently rare. Indeed, there is a poignant lack of convergence results, analysis, and guar-
antees in many machine learning algorithms. It is also important to consider whether the
model will be used for interpolation within a parameter regime or for extrapolation, which
is considerably more challenging. Finally, we emphasize the importance of cross-validation
on a withheld test dataset to prevent overfitting in machine learning.
We suggest that the previous, non-exhaustive, list of challenges need not be a barrier;
to the contrary, it should provide a strong motivation for the development of more effective
machine learning techniques. These techniques will likely impact a number of disciplines
if they are able to solve fluid mechanics problems. The application of machine learning to
systems with known physics, such as fluid mechanics, may provide deeper theoretical in-
sights into algorithms. We also believe that hybrid methods that combine machine learning
and first principles models will be a fertile ground for development.
The present review is structured as follows: Section 2 outlines the fundamental algo-
rithms of machine learning, followed by discussions of their applications to flow modeling
(Section 3), and optimization and control (Section 4). We provide a summary and outlook
of this field in Section 5.

www.annualreviews.org • Machine Learning for Fluid Dynamics 5


LEARNING PROBLEM


Sample LEARNING
Generator x MACHINE
p(x) φ(x, y, w)

SYSTEM y
p(y | x)

Figure 3
The learning problem: 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)).

2. MACHINE LEARNING FUNDAMENTALS


The learning problem can be formulated as the process of estimating associations be-
tween inputs, outputs, and parameters of a system using a limited number of observa-
tions (Cherkassky & Mulier 2007). We distinguish a generator of samples, the system in
question, and a learning machine (LM), as in Fig. 3. We emphasize that the approxima-
Supervised learning: tions by learning machines are fundamentally stochastic and their learning process can be
Learning from data summarized as the minimization of a risk functional:
labeled with expert Z
knowledge, R(w) = L(y, φ(x, y, w)) p(x, y) dxdy, (1)
providing corrective
information to the
algorithm. where the data x (inputs) and y (outputs) are samples from a probability distribution p,
φ(x, y, w) defines the structure and w the parameters of the learning machine, and the loss
Unsupervised
learning: Learning function L balances the various learning objectives (e.g., accuracy, simplicity, smoothness,
without labeled etc.). We emphasize that the risk functional is weighted by a probability distribution p(x, y)
training data. that also constrains the predictive capabilities of the learning machine. The various types of
Semi-supervised learning algorithms can be grouped into three major categories: Supervised, unsupervised
learning: Learning and semi-supervised, as in Fig. 1. These distinctions signify the degree to which external
with partially supervisory information from an expert is available to the learning machine.
labeled data (GANs)
or by interactions of
the “machine” with 2.1. Supervised Learning
its environment
(Reinforcement Supervised learning implies the availability of corrective information to the learning ma-
learning). chine. In its simplest and most common form, this implies labeled training data, with labels
corresponding to the output of the LM. Minimization of the cost function, which implic-
itly 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 by Gauss (Meijering 2002). A commonly employed loss function is

L(y, φ(x, y, w)) = ||y − φ(x, y, w)||2 . (2)

Alternative loss functions may reflect different constraints on the learning machine such
as sparsity (Hastie et al. 2009; Brunton & Kutz 2019). 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.

6 Brunton, Noack, and Koumoutsakos


ht 1 ht ht+1 ht+1 ht ht+1

ht 1 ht ct 1 ct
+
tanh

RNN tanh
RNN LSTM tanh
LSTM
ht 1 ht

xt 1 xt xt+1 xt 1 xt xt+1

Figure 4
Recurrent neural nets (RRNs) for time-series predictions and the Long Short-Term Memory
(LSTM) regularization (Hochreiter & Schmidhuber (1997)).

2.1.1. Neural networks. Neural networks are arguably the most well known methods in
Neural network: A
supervised learning. They are fundamental nonlinear function approximators, and in recent
computational
years a number of efforts have been dedicated in understanding their effectiveness. The architecture, based
universal approximation theorem (Hornik et al. 1989) states that any function may be loosely on biological
approximated by a sufficiently large and deep network. Recent work has shown that sparsely networks of neurons,
connected, deep neural networks are information theoretic optimal nonlinear approximators for nonlinear
regression. A simple
for a wide range of functions and systems (Bölcskei et al. 2019).
neural network with
The power and flexibility of neural networks emanates from their modular structure input x, output ŷ,
based on the neuron as a central building element, a caricature of the neurons in the hu- activation function σ
man brain. Each neuron receives an input, processes it through an activation function, and and weights w, w0
produces an output. Multiple neurons can be combined into different structures that reflect that are determined
from data y by mini-
knowledge about the problem and the type of data. Feed-forward networks are among the
mizing E = ||y−ŷ||2 .
most common structures, and they are composed of layers of neurons, where a weighted out-
put from one layer is the input to the next layer. NN architectures have an input layer that
receives the data and an output layer that produces a prediction. Nonlinear optimization
methods, such as back-propagation (Rumelhart et al. 1986), are used to identify the net-
work weights to minimize the error between the prediction and labeled training data. Deep
neural networks involve multiple layers and various types of nonlinear activation functions.
When the activation functions are expressed in terms of convolutional kernels, a powerful
class of networks emerges, namely convolutional neural networks (CNN), with great success
in image and pattern recognition (Krizhevsky et al. 2012; Goodfellow et al. 2016).
Recurrent neural networks (RNNs), depicted in Fig. 4, are of particular interest to
fluid mechanics. They operate on sequences of data (e.g., images from a video, time-
series, etc.) and their weights are obtained by back-propagation through time (BPTT).
RNNs have been quite successful for natural language processing and speech recognition.
However, their effectiveness has been hindered by diminishing or exploding gradients that
emerge during their training. The renewed interest in RNNs is largely attributed to the
development of the long short-term memory (LSTM) (Hochreiter & Schmidhuber 1997)
algorithms that deploy cell states and gating mechanisms to store and forget information
about past inputs, thus alleviating the problems with gradients and the transmission of
long-term information that standard RNNs suffer from. An extended architecture, called
the multi-dimensional LSTM network (MD-LSTM) (Graves et al. 2007), was proposed to
efficiently handle high-dimensional spatiotemporal data. A number of potent alternatives
to RNNS have appeared over the years; the echo state network has been used for prediction
in dynamical systems (Pathak et al. 2018).

www.annualreviews.org • Machine Learning for Fluid Dynamics 7


1 N
x̄ = xn
N∑
U V ϕ(x) ψ(z)
n=1

1 N
S= (xn − x̄)(xn − x̄)T
N∑n=1

z z
Sui = λiui

retain M < D
eigenvectors
x x̂ x x̂
Figure 5
W ⋅ z =(dAE,
PCA/POD (left) vs shallow autoencoder (sAE, middle), versus deep autoencoder
T
x̃ right). If the node activation
functions in sAE are linear, then U and V are matrices that minimize the loss function kx̂ − VUxk. The node activation
1 N
x W⋅x= z
may be nonlinear, minimizing the loss function kx − ψ(ϕ(x))k. The input x ∈ RD is reduced to z ∈ RM , with
x̄ =
functions
∑ D.
MN 
xn x̃
Note that the PCA/POD requires the solution of a problem specific eigenvalue equation while the neuron
n=1
modules and can be extended to nonlinear activation functions and multiple nodes and layers. (adapted from C. Bishop)
1 N
S= (xn − x̄)(xn − x̄)T
N∑n=1 2.1.2. Classification: Support vector machines and random forests. Classification is a su-
Sui = λiui
pervised learning task that can determine the label or category of a set of measurements
from a-priori labeled training data. It is perhaps the oldest method for learning, starting
retain M < D
eigenvectors with the perceptron (Rosenblatt 1958), which could classify between two types of linearly
separable data. Two fundamental classification algorithms are support vector machines
(SVM) (Schölkopf & Smola 2002) and random forests (Breiman 2001), which have been
widely adopted in industry until recent progress by deep neural networks. The problem can
be specified by the following loss functional, which is most simply expressed for two classes:
(
 0, if y = φ(x, y, w),
L y, φ(x, y, w) = (3)
1, if y 6= φ(x, y, w).
Deep learning:
Neural networks Here the output of the learning machine is an indicator on the class to which the data
with multiple layers, belong. The risk functional quantifies the probability of misclassification and the task is
used to create to minimize the risk based on the training data by suitable choice of φ(x, y, w). Random
powerful hierarchical forests are based on an ensemble of decision trees that hierarchically split the data using
representations at
simple conditional statements; these decisions are interpretable and fast to evaluate at scale.
varying levels of
abstraction. In the context of classification, an SVM maps the data into a high-dimensional feature space
on which a linear classification is possible.

2.2. Unsupervised Learning


This learning task implies the extraction of features from the data by specifying certain
global criteria and without the need for supervision or a ground-truth label for the results.
The types of problems involved here include dimensionality reduction, quantization, and
clustering. The automated extraction of flow features by unsupervised learning algorithms
can form the basis of flow modeling and control using low-order models.

2.2.1. Dimensionality reduction I : POD, PCA and auto-encoders. The extraction of flow
features from experimental data and large scale simulations is a cornerstone for flow model-
ing. Moreover identifying lower dimensional representations for high-dimensional data can
be used as pre-processing for all tasks in supervised learning algorithms. Dimensionality
reduction can also be viewed as an “information filtering bottleneck” where the data is
processed through a lower dimensional representation before being mapped backed to the

8 Brunton, Noack, and Koumoutsakos


ambient dimension. The classical proper orthogonal decomposition (POD) algorithm be-
longs to this category of learning, and will be discussed more in Sec. 3. The POD, or linear
principal components analysis (PCA) as it is more widely known, can be formulated as a
two layer neural network (an autoencoder) with a linear activation function for its linearly Autoencoder: A
weighted input, that can be trained by stochastic gradient descent (see Fig. 5). This for- neural network
mulation is an algorithmic alternative to linear eigenvalue/eigenvector problems in terms architecture used to
compress and
of neural networks, and it offers a direct route to the nonlinear regime and deep learning decompress
by adding more layers and a nonlinear activation function on the network. Unsupervised high-dimensional
learning algorithms have seen limited use in the fluid mechanics community, and we believe data. They are
that this is an opportunity that deserves further exploration. In recent years, the machine linear and nonlinear
learning community has produced numerous auto-encoders that, when properly matched alternatives to the
proper orthogonal
with the possible features of the flow field, can lead to significant insight for reduced-order decomposition.
modeling of stationary and time-dependent data.

2.2.2. Dimensionality reduction II: Discrete principal curves and self-organizing maps. The
mapping between high-dimensional data and a low-dimensional representation can be struc-
tured through an explicit shaping of the lower dimensional space, possibly reflecting an
a-priori knowledge about this subspace. These techniques can be seen as extensions of the
linear auto-encoders, where the encoder and decoder can be nonlinear functions. This non-
linearity may come however at the expense of losing the inverse relationship between the
encoder and decoder functions that is one of the strengths of linear PCA. An alternative
is to define the decoder as an approximation of the inverse of the encoder, leading to the
method of principal curves. Principal curves are structures on which the data are projected
during the encoding step of the learning algorithm. In turn the decoding step amounts to
an approximation of the inverse of this mapping by adding for example some smoothing
onto the principal curves. An important version of this process is the self-organizing map
(SOM) introduced by Kohonen (1995). In SOMs the projection subspace is described into
a finite set of values with specified connectivity architecture and distance metrics. The
encoder step amounts to identifying for each data point the closest node point on the SOM
and the decoder step is a weighted regression estimate, using for example kernel functions,
that take advantage of the specified distance metric between the map nodes. This modifies
the node centers, and the process can be iterated until the empirical risk of the autoencoder
has been minimized. The SOM capabilities can be exemplified by comparing it to linear
PCA for two dimensional set of points. The linear PCA will provide as an approximation
the least squares straight line between the points whereas the SOM will map the points
onto a curved line that better approximates the data. We note that SOMs can be extended
to areas beyond floating point data and they offer an interesting way for creating data bases
based on features of flow fields.

2.2.3. Clustering and vector quantization. Clustering is an unsupervised learning technique


that identifies similar groups in the data. The most common algorithm is k-means cluster-
ing, which partitions data into k clusters; an observation belongs to the cluster with the
nearest centroid, resulting in a partition of data space into Voronoi cells.
Vector quantizers identify representative points for data that can be partitioned into a
predetermined number of clusters. These points can then be used instead of the full data

set so that future samples can be approximated by them. The vector quantizer φ x, w
provides a mapping between the data x and the coordinates of the cluster centers. The loss

www.annualreviews.org • Machine Learning for Fluid Dynamics 9


function is usually the squared distortion of the data from the cluster centers, which must
be minimized to identify the parameters of the quantizer:

L(φ(x, w)) = ||x − φ(x, w)||2 . (4)

We note that vector quantization is a data reduction method, not necessarily employed for
dimensionality reduction. In the latter the learning problem seeks to identify low dimen-
sional features in high dimensional data, whereas quantization amounts to finding represen-
tative clusters of the data. Vector quantization must also be distinguished from clustering
as in the former the number of desired centers is determined a-priori whereas clustering
aims to identify meaningful groupings in the data. When these groupings are represented
by some prototypes then clustering and quantization have strong similarities.

2.3. Semi-Supervised Learning


Semi-supervised learning algorithms operate under partial supervision, either with limited
labeled training data, or with other corrective information from the environment. Two
algorithms in this category are generative adversarial networks (GAN) and reinforcement
learning (RL). In both cases the learning machine is (self-)trained through a game like
process as discussed below.

2.3.1. Generative adversarial networks (GAN). GANs are learning algorithms that result in
a generative model, i.e. a model that produces data according to a probability distribution,
which mimics that of the data used for its training. The learning machine is composed
of two networks that compete with each other in a zero sum game (Goodfellow et al.
2014). The generative network produces candidate data examples that are evaluated by the
discriminative, or critic, network to optimize a certain task. The generative (G) network’s
training objective is to synthesize novel examples of data to fool the discriminative network
into misclassifying them as belonging to the true data distribution. The weights of these
networks (N) are obtained through a process, inspired by game theory, called adversarial (A)
learning. The final objective of the GAN training process is to identify the generative model
that produces an output that reflects the underlying system. Labeled data are provided by
the discriminator network and the function to be minimized is the KL divergence between
the two distributions. In the ensuing “game”, the discriminator aims to maximize the
probability of it discriminating between true data and data produced by the generator,
while the generator aims to minimize the same probability. Because the generative and
discriminative networks essentially train themselves, after initialization with labeled training
data, this procedure is often referred to as self-supervised. This self-training process adds to
the appeal of GANs but at the same time one must be cautious on whether an equilibrium
will ever be reached in the above mentioned game. As with other training algorithms, large
amounts of data help the process but, at the moment, there is no guarantee of convergence.

2.3.2. Reinforcement learning. Reinforcement learning (RL) is a mathematical framework


for problem solving (Sutton & Barto 2018) that implies goal-directed interactions of an
agent with its environment. In RL the agent has a repertoire of actions and perceives
states. Unlike in supervised learning, the agent does not have labeled information about
the correct actions, but instead learns from its own experiences, in the form of rewards
that may be infrequent and partial; thus, this is referred to as semi-supervised learning.

10 Brunton, Noack, and Koumoutsakos


Moreover, the agent is not concerned only with uncovering patterns in its actions or in the
environment, but also with maximizing its long term rewards. Reinforcement learning is
closely linked to dynamic programming (Bellman 1952) as it also models interactions with
the environment as a Markov decision process. Unlike dynamic programming, RL does
not require a model of the dynamics, such as a Markov transition model, but proceeds
by repeated interaction with the environment through trial-and-error. It is precisely this
approximation that makes it highly suitable for complex problems in fluid dynamics. The
two central elements of RL are the agent’s policy, a mapping a = π(s) between the state
s of the system and the optimal action a, and the value function V (s) that represents the
utility of reaching the state s for maximizing the agent’s long-term rewards.
Games are one of the key applications of RL that exemplify its strengths and limitations.
One of the early successes of RL is the backgammon learner of Tesauro (1992). The program
started out from scratch as a novice player, trained by playing a couple of million times
against itself, won the computer backgammon olympiad, and eventually became comparable
to the three best human players in the world. In recent years, advances in high-performance
computing and deep neural-network architectures have produced agents that are capable
of performing at or above human performance at video games and strategy games that
are much more complicated than backgammon, such as Go (Mnih et al. 2015) and the AI
gym (Mnih et al. 2015; Silver et al. 2016). It is important to emphasize that RL requires
significant computational resources due to the large numbers of episodes required to properly
account for the interaction of the agent and the environment. This cost may be trivial for
games but it may be prohibitive in experiments and flow simulations, a situation that is
rapidly changing (Verma et al. 2018).
A core remaining challenge for RL is the long-term credit assignment (LTCA) problem,
especially when rewards are sparse or very delayed in time. LTCA implies inference, from
a long sequence of states and actions, of causal relations between individual decisions and
rewards. A number of efforts address these issues by augmenting the original sparsely-
rewarded objective with densely-rewarded subgoals (Schaul et al. 2015) or by replicating
previously visited but hard-to-reach states (Andrychowicz et al. 2017). A related issue is
the proper accounting of past experience by the agent as it actively forms a new policy.

2.4. Stochastic Optimization: A Learning Algorithms Perspective


Optimization is an inherent part of learning, as a risk functional is minimized in order to
identify the parameters of the learning machine. There is, however, one more link that we
wish to highlight in this review: that optimization (and search) algorithms can be cast in
the context of learning algorithms and more specifically as the process of learning a proba-
bility distribution that contains the design points that maximize a certain objective. This
connection was pioneered by Rechenberg (1973); Schwefel (1977), who adapted the variance
of their search space based on the success rate of their experiments. This process is also
reminiscent of the operations of selection and mutation that are key ingredients of genetic
algorithms (Holland 1975) and genetic programming (Koza 1992). Genetic algorithms can
be considered as a hybrid between gradient search strategies, which may effectively march
downhill towards a minimum, and Latin-Hypercube or Monte-Carlo sampling methods,
which maximally explore the search space. Genetic programming was developed in the late
1980s by J. R. Koza, a PhD student of Holland. Genetic programming generalized param-
eter optimization to function optimization, initially coded as a tree of operations (Koza

www.annualreviews.org • Machine Learning for Fluid Dynamics 11


1992). A critical aspect of these algorithms is that they rely on an iterative construction of
the probability distribution, based on data values of the objective function.
Over the past twenty years, evolutionary strategies and genetic algorithms have begun
to converge into estimation of distribution algorithms (EDAs). Hansen and Ostermeier (Os-
termeier et al. 1994; Hansen et al. 2003) introduced the CMA-ES algorithm by formulating
evolution strategies as an adaptive estimation of the covariance matrix of a Gaussian prob-
ability distribution, guiding the search for optimal parameters. This covariance matrix is
adapted iteratively using the best points in each iteration. The CMA-ES is closely related
to a number of other algorithms, such as the estimation of distribution algorithms (EDAs)
and mixed Bayesian optimization algorithms (MBOAs) (Pelikan et al. 2004), and the reader
is referred to Kern et al. (2004) for a comparative review. In recent years, this line of work
has evolved into the more generalized information-geometric optimization (IGO) frame-
work (Ollivier et al. 2017). IGO algorithms allow for families of probability distributions
whose parameters are learned during the optimization process and maintain the cost func-
tion invariance as a major design principle. The resulting algorithm makes no assumption
on the objective function to be optimized and its flow is equivalent to a stochastic gradi-
ent descent. These techniques have been proven to be effective on a number of simplified
benchmark problems; however, their scaling remains unclear and there are few guarantees
for convergence in cost function landscapes such as those encountered in complex fluid dy-
namics problems. We note also that there is an interest in deploying these optimization
methods in order to minimize the cost functions that are often associated with classical
machine learning tasks (Salimans et al. 2017).

2.5. Important Topics We Have Not Covered: Bayesian Inference, Gaussian


Processes, ...
There are a number of learning algorithms that this review does not address, but which
demand particular attention from the fluid mechanics community. First and foremost we
wish to mention Bayesian inference, which aims to inform the model structure and its
parameters from data in a probabilistic framework. Bayesian inference is fundamental
for uncertainty quantification, and it is also fundamentally a learning method, as data
are used to adapt the models. In fact, the alternative view is also possible, where every
machine learning framework can be cast in a Bayesian framework (Theodoridis 2015; Barber
2012). The optimization algorithms presented in this work provide a direct link. Whereas
optimization algorithms aim to provide the best parameters of a model for given data in a
stochastic manner, Bayesian inference aims to provide the full probability distribution. It
may be argued that Bayesian inference may be even more powerful than machine learning,
as it provides probability distributions for all parameters, leading to robust predictions,
rather than single values, as is usually the case with classical machine learning algorithms.
However, a key drawback for Bayesian inference is its computational cost, as it involves
sampling and integration in high-dimensional spaces, which can be prohibitive for expensive
function evaluations (e.g. wind tunnel experiments or large scale DNS). Along the same
lines one must mention Gaussian processes (GP), which resemble kernel-based methods
for regression. However, GP develop these kernels adaptively based on the available data.
They also provide probability distributions for the respective model parameters. GPs have
been used extensively in problems related to time-dependent problems and they may be
considered competitors, albeit more costly, to RNNs and echo state networks.

12 Brunton, Noack, and Koumoutsakos


3. FLOW MODELING WITH MACHINE LEARNING
First principles, such as conservation laws, have been the dominant building blocks for flow
modeling over the past centuries. However, for high Reynolds numbers, scale resolving sim-
ulations using the most prominent model in fluid mechanics, the Navier-Stokes equations, is
beyond our current computational resources. An alternative is to perform simulations based
on approximations of these equations (as it is often practiced in turbulence modeling), or
laboratory experiments for a specific configuration. However, simulations and experiments
Reduced-order model
are expensive for iterative optimization, and simulations are often too slow for real-time (ROM):
control (Brunton & Noack 2015). Consequently, considerable effort has been placed on ob- Representation of a
taining accurate and efficient reduced-order models that capture essential flow mechanisms high-dimensional
at a fraction of the cost (Rowley & Dawson 2016). Machine learning provides new avenues system in terms of a
for dimensionality reduction and reduced order modeling in fluid mechanics. As we discuss low-dimensional one,
balancing accuracy
here machine learning provides a systematic modeling framework that complements and and efficiency.
extends existing methodologies in flow modeling.
We distinguish here two complementary efforts: dimensionality reduction and reduced-
order modeling. Dimensionality reduction involves extracting key features and dominant
patterns that may be used as reduced coordinates where the fluid is compactly and effi-
ciently described (Taira et al. 2017). Reduced-order modeling describes the spatiotemporal
evolution of the flow as a parametrized dynamical system, although it may also involve
developing a statistical map from parameters to averaged quantities, such as drag.
There have been significant efforts to identify coordinate transformations and reductions
that simplify dynamics and capture essential flow physics: the proper orthogonal decom-
position (POD) is a notable example (Lumley 1970). Model reduction, such as Galerkin
projection of the Navier-Stokes equations onto an orthogonal basis of POD modes, benefits
from a close connection to the governing equations; however, it is intrusive, requiring hu-
man expertise to develop models from a working simulation. Machine learning constitutes a
rapidly growing body of modular algorithms that may be used for data-driven system iden-
tification and modeling. Unique aspects of data-driven modeling of fluid flows include the
availability of partial prior knowledge of the governing equations, constraints, and symme-
tries. With advances in simulation capabilities and experimental techniques, fluid dynamics
is becoming a data rich field, thus becoming amenable to machine learning algorithms.
In this review, we distinguish machine learning algorithms to model flow 1) kinematics
through the extraction flow features and 2) dynamics through the adoption of various
learning architectures.

3.1. Flow Feature Extraction


Pattern recognition and data mining are core strengths of machine learning. Many tech-
niques have been developed by the ML community that are readily applicable to spatiotem-
poral fluid data. Here, we discuss linear and nonlinear dimensionality reduction techniques,
followed by clustering and classification. We also consider accelerated measurement and
computation strategies, as well as methods to process experimental flow field data.

3.1.1. Dimensionality reduction: Linear and nonlinear embeddings. A common approach


in fluid dynamics simulation and modeling is to define an orthogonal linear transformation
from physical coordinates into a modal basis. The POD provides such an orthogonal basis
for complex geometries based on empirical measurements. Sirovich (1987) introduced the

www.annualreviews.org • Machine Learning for Fluid Dynamics 13


snapshot POD, which reduces the computation to a simple data-driven procedure involving
a singular value decomposition. Interestingly, in the same year, Sirovich used POD to
generate a low-dimensional feature space for the classification of human faces, which is a
foundation for much of modern computer vision (Sirovich & Kirby 1987).
POD is closely related to the algorithm of principal component analysis (PCA), one
of the fundamental algorithms of applied statistics and machine learning, to describe cor-
relations in high-dimensional data. We remark that the PCA can be expressed as a two
layer neural network, called an autoencoder, to compress high-dimensional data for a com-
pact representation as shown in Fig. 5. This network embeds high-dimensional data into a
low-dimensional latent space, and then decodes from the latent space back to the original
high-dimensional space. When the network nodes are linear and the encoder and decoder
are constrained to be transposes of one another, the autoencoder is closely related to the
standard POD/PCA decomposition ( (Baldi & Hornik 1989), please see also Fig. 6). How-
ever, the structure of the neural network autoencoder is modular, and by using nonlinear
activation units for the nodes, it is possible to develop nonlinear embeddings, potentially
providing more compact coordinates. This observation led to the development of one of
the first applications of deep neural networks to reconstruct the near wall velocity field
in a turbulent channel flow using wall pressure and shear (Milano & Koumoutsakos 2002).
More powerful autoencoders are today available in the ML community and this link deserves
further exploration.
On the basis of the universal approximation theorem (Hornik et al. 1989), stating that a
sufficiently large neural network can represent an arbitrarily complex input–output function,
deep neural networks are increasingly used to obtain more effective nonlinear coordinates
for complex flows. However, deep learning often implies the availability of large volumes
of training data that far exceed the parameters of the network. The resulting models are
usually good for interpolation but may not be suitable for extrapolation when the new input
data have different probability distributions than the training data (see Eq. (1)). In many
modern machine learning applications, such as image classification, the training data are
so vast that it is natural to expect that most future classification tasks will fall within an
interpolation of the training data. For example, the ImageNet data set in 2012 (Krizhevsky
et al. 2012) contained over 15 million labeled images, which sparked the current movement
in deep learning (LeCun et al. 2015). Despite the abundance of data from experiments and
simulations the fluid mechanics community is still distanced from this working paradigm.
However, it may be possible in the coming years to curate large, labeled and complete
enough fluid databases to facilitate the deployment of such deep learning algorithms.

3.1.2. Clustering and classification. Clustering and classification are cornerstones of ma-
chine learning. There are dozens of mature algorithms to choose from, depending on the
size of the data and the desired number of categories. The k-means algorithm has been
successfully employed by Kaiser et al. (2014) to develop a data-driven discretization of a
high-dimensional phase space for the fluid mixing layer. This low-dimensional representa-
tion, in terms of a small number of clusters, enabled tractable Markov transition models
for how the flow evolves in time from one state to another. Because the cluster centroids
exist in the data space, it is possible to associate each cluster centroid with a physical flow
field, lending additional interpretability. In Amsallem et al. (2012) k-means clustering was
used to partition phase space into separate regions, in which local reduced-order bases were
constructed, resulting in improved stability and robustness to parameter variations.

14 Brunton, Noack, and Koumoutsakos


Flow snapshots

POD modes

Autoencoder modes

Figure 6
Unsupervised learning example: Merging of two vortices (top), POD modes (middle) and respective modes from a linear
auto-encoder (bottom). Note that unlike POD modes, the autoencoder modes are not orthogonal and are not ordered.

Classification is also widely used in fluid dynamics to distinguish between various canon-
ical behaviors and dynamic regimes. Classification is a supervised learning approach where
labeled data is used to develop a model to sort new data into one of several categories.
Recently, Colvert et al. (2018) investigated the classification of wake topology (e.g., 2S,
2P+2S, 2P+4S) behind a pitching airfoil from local vorticity measurements using neural
networks; extensions have compared performance for various types of sensors (Alsalman
et al. 2018). In Wang & Hemati (2017) the k nearest neighbors (KNN) algorithm was used
to detect exotic wakes. Similarly, neural networks have been combined with dynamical sys-
tems models to detect flow disturbances and estimate their parameters (Hou et al. 2019).
Related graph and network approaches in fluids by Nair & Taira (2015) have been used
for community detection in wake flows (Meena et al. 2018). Finally, one of the earliest
examples of machine learning classification in fluid dynamics by Bright et al. (2013) was
based on sparse representation (Wright et al. 2009).

3.1.3. Sparse and randomized methods. In parallel to machine learning, there have been
great strides in sparse optimization and randomized linear algebra. Machine learning and
sparse algorithms are synergistic, in that underlying low-dimensional representations facili-
tate sparse measurements (Manohar et al. 2018) and fast randomized computations (Halko
et al. 2011). Decreasing the amount of data to train and execute a model is important when
a fast decision is required, as in control. Compressed sensing has already been leveraged
for compact representations of wall-bounded turbulence (Bourguignon et al. 2014) and for
POD based flow reconstruction (Bai et al. 2014).
Low-dimensional structure in data also facilitates dramatically accelerated computations
via randomized linear algebra (Mahoney 2011; Halko et al. 2011). If a matrix has low-rank
structure, then there are extremely efficient matrix decomposition algorithms based on
random sampling; this is closely related to the idea of sparsity and the high-dimensional
geometry of sparse vectors. The basic idea is that if a large matrix has low-dimensional
structure, then with high probability this structure will be preserved after projecting the
columns or rows onto a random low-dimensional subspace, facilitating efficient downstream
computations. These so-called randomized numerical methods have the potential to trans-
form computational linear algebra, providing accurate matrix decompositions at a fraction

www.annualreviews.org • Machine Learning for Fluid Dynamics 15


of the cost of deterministic methods. For example, randomized linear algebra may be
used to efficiently compute the singular value decomposition, which is used to compute
PCA (Rokhlin et al. 2009; Halko et al. 2011).

3.1.4. Super resolution and flow cleansing. Much of machine learning is focused on imaging
science, providing robust approaches to improve resolution and remove noise and corruption
based on statistical inference. These super resolution and de-noising algorithms have the
potential to improve the quality of both simulations and experiments in fluids.
Super resolution involves the inference of a high-resolution image from low-resolution
measurements, leveraging the statistical structure of high-resolution training data. Several
approaches have been developed for super resolution, for example based on a library of
examples (Freeman et al. 2002), sparse representation in a library (Yang et al. 2010), and
most recently based on convolutional neural networks (Dong et al. 2014). Experimental flow
field measurements from particle image velocimetry (PIV) (Willert & Gharib 1991; Adrian
1991) provide a compelling application where there is a tension between local flow resolution
and the size of the imaging domain. Super resolution could leverage expensive and high-
resolution data on smaller domains to improve the resolution on a larger imaging domain.
Large eddy simulations (LES) (Germano et al. 1991; Meneveau & Katz 2000) may also
benefit from super resolution to infer the high-resolution structure inside a low-resolution
cell that is required to compute boundary conditions. Recently Fukami et al. (2018) have
developed a CNN-based super-resolution algorithm and demonstrated its effectiveness on
turbulent flow reconstruction, showing that the energy spectrum is accurately preserved.
One drawback of super-resolution is that it is often extremely costly computationally, mak-
ing it useful for applications where high-resolution imaging may be prohibitively expensive;
however, improved neural-network based approaches may drive the cost down significantly.
We note also that Xie et al. (2018) recently employed GANs for super-resolution.
The processing of experimental PIV and particle tracking has been also one of the first
applications of machine learning. Neural networks have been used for fast PIV (Knaak et al.
1997) and particle tracking velocimetry (Labonté 1999), with impressive demonstrations for
three-dimensional Lagrangian particle tracking (Ouellette et al. 2006). More recently, deep
convolutional neural networks have been used to construct velocity fields from PIV image
pairs (Lee et al. 2017). Related approaches have also been used to detect spurious vectors
in PIV data (Liang et al. 2003) to remove outliers and fill in corrupt pixels.

3.2. Modeling Flow Dynamics


A central goal of modeling is to balance efficiency and accuracy. When modeling physical
systems, interpretability and generalizability are also critical considerations.

3.2.1. Linear models through nonlinear embeddings: DMD and Koopman analysis. Many
classical techniques in system identification may be considered machine learning, as they
are data-driven models that generalize beyond the training data. The dynamic mode de-
composition (DMD) (Schmid 2010; Kutz et al. 2016) is a modern approach, to extract
spatiotemporal coherent structures from time-series data of fluid flows, resulting in a low-
dimensional linear model for the evolution of these dominant coherent structures. DMD is
based on data-driven regression and is equally valid for time-resolved experimental and nu-
merical data. DMD is closely related to the Koopman operator (Rowley et al. 2009; Mezic

16 Brunton, Noack, and Koumoutsakos


2013), which is an infinite dimensional linear operator that describes how all measurement
functions of the system evolve in time. Because the DMD algorithm is based on linear flow
field measurements (i.e., direct measurements of the fluid velocity or vorticity field), the
resulting models may not be able to capture nonlinear transients.
Recently, there has been a concerted effort to identify nonlinear measurements that
evolve linearly in time, establishing a coordinate system where the nonlinear dynamics
appear linear. The extended DMD (Williams et al. 2015) and variational approach of
conformation dynamics (VAC) (Noé & Nuske 2013; Nüske et al. 2016) enrich the model with
nonlinear measurements, leveraging kernel methods (Williams et al. 2015) and dictionary
learning (Li et al. 2017). These special nonlinear measurements are generally challenging
to represent, and deep learning architectures are now used to identify nonlinear Koopman
coordinate systems where the dynamics appear linear (Wehmeyer & Noé 2018; Mardt et al.
2018; Takeishi et al. 2017; Lusch et al. 2018). The VAMPnet architecture (Wehmeyer &
Noé 2018; Mardt et al. 2018) uses a time-lagged auto-encoder and a custom variational
score to identify Koopman coordinates on an impressive protein folding example. Based
on the performance of VAMPnet, fluid dynamics may benefit from neighboring fields, such
as molecular dynamics, which have similar modeling issues, including stochasticity, coarse-
grained dynamics, and massive separation of time scales.

3.2.2. Neural network modeling. Over the last three decades neural networks have been
used to model dynamical systems and fluid mechanics problems. Early examples include
the use of NNs to learn the solutions of ordinary and partial differential equations (Dis-
sanayake & Phan-Thien 1994; Gonzalez-Garcia et al. 1998; Lagaris et al. 1998). We note
that the potential of this work has not been fully explored and in recent years there is further
advances (Chen et al. 2018; Raissi & Karniadakis 2018) including discrete and continuous
in time networks. We note also the possibility of using these methods to uncover latent vari-
ables and reduce the number of parametric studies often associated with partial differential
equations Raissi et al. (2019). Neural networks are also frequently employed in nonlinear
system identification techniques, such as NARMAX, which are often used to model fluid
systems (Semeraro et al. 2016; Glaz et al. 2010). In fluid mechanics, neural networks were
widely used to model heat transfer (Jambunathan et al. 1996), turbomachinery (Pierret &
Van den Braembussche 1998), turbulent flows (Milano & Koumoutsakos 2002), and other
problems in aeronautics (Faller & Schreck 1996).
Recurrent Neural Netwosk with LSTMs (Hochreiter & Schmidhuber (1997) have been
revolutionary for speech recognition, and they are considered one of the landmark successes
of artificial intellignece. The are currently being used to model dynamical systems and
for data driven predictions of extreme events (Wan et al. 2018; Vlachas et al. 2018). An
interesting finding of these studies is that combining data driven and reduced order models
is a potent method that outperforms each of its components on a number of studies. Gener-
ative adversarial networks (GANs) (Goodfellow et al. 2014) are also being used to capture
physics (Wu et al. 2018). GANs have potential to aid in the modeling and simulation of
turbulence (Kim et al. 2018), although this field is nascent.
Despite the promise and widespread use of neural networks in dynamical systems, a
number of challenges remains. Neural networks are fundamentally interpolative, and so the
function is only well approximated in the span (or under the probability distribution) of
the sampled data used to train them. Thus, caution should be exercised when using neural
network models for an extrapolation task. In many computer vision and speech recognition

www.annualreviews.org • Machine Learning for Fluid Dynamics 17


examples, the training data are so vast that nearly all future tasks may be viewed as an
interpolation on the training data, although this scale of training has not been achieve to
date in fluid mechanics. Similarly, neural network models are prone to overfitting, and
care must be taken to cross-validate models on a sufficiently chosen test set; best practices
are discussed in Goodfellow et al. (2016). Finally, it is important to explicitly incorporate
partially known physics, such as symmetries, constraints, and conserved quantities.

3.2.3. Parsimonious nonlinear models. Parsimony is a recurring theme in mathematical


physics, from Hamilton’s principle of least action to the apparent simplicity of many gov-
erning equations. In contrast to the raw representational power of neural networks, machine
learning algorithms are also being employed to identify minimal models that balance predic-
tive accuracy with model complexity, preventing overfitting and promoting interpretability
and generalizability. Genetic programming has recently been used to discover conserva-
tion laws and governing equations (Schmidt & Lipson 2009). Sparse regression in a library
of candidate models has also been proposed to identify dynamical systems (Brunton et al.
2016) and partial differential equations (Rudy et al. 2017; Schaeffer 2017). Loiseau & Brun-
ton (2018) identified sparse reduced-order models of several flow systems, enforcing energy
conservation as a constraint. In both genetic programming and sparse identification, a
Pareto analysis is used to identify models that have the best tradeoff between model com-
plexity, measured in number of terms, and predictive accuracy. In cases where the physics
is known, this approach typically discovers the correct governing equations, providing ex-
ceptional generalizability compared with other leading algorithms in machine learning.

3.2.4. Closure models with machine learning. The use of machine learning to develop turbu-
lence closures is an active area of research (Duraisamy et al. 2019). The extreme separation
of spatiotemporal scales in turbulent flows makes it exceedingly costly to resolve all scales in
simulation, and even with Moore’s law, we are decades away from resolving all scales in rel-
evant configurations (e.g., aircraft, submarines, etc.). It is common to truncate small scales
and model their effect on the large scales with a closure model. Common approaches include
Reynolds averaged Navier Stokes (RANS) and large eddy simulation (LES). However, these
models may require careful tuning to match fully resolved simulations or experiments.
Machine learning has been used to identify and model discrepancies in the Reynolds
stress tensor between a RANS model and high-fidelity simulations (Ling & Templeton
2015; Parish & Duraisamy 2016; Ling et al. 2016b; Xiao et al. 2016; Singh et al. 2017; Wang
et al. 2017). Ling & Templeton (2015) compare support vector machines, Adaboost decision
trees, and random forests to classify and predict regions of high uncertainty in the Reynolds
stress tensor. Wang et al. (2017) use random forests to built a supervised model for the
discrepancy in the Reynolds stress tensor. Xiao et al. (2016) leveraged sparse online velocity
measurements in a Bayesian framework to infer these discrepancies. In related work, Parish
& Duraisamy (2016) develop the field inversion and machine learning modeling framework,
that builds corrective models based on inverse modeling. This framework was later used by
Singh et al. (2017) to develop a neural network enhanced correction to the Spalart-Allmaras
RANS model, with excellent performance. A key result by Ling et al. (2016b) employed the
first deep network architecture with many hidden layers to model the anisotropic Reynolds
stress tensor, as shown in Fig. 7. Their novel architecture incorporates a multiplicative layer
to embed Galilean invariance into the tensor predictions. This provides an innovative and
simple approach to embed known physical symmetries and invariances into the learning

18 Brunton, Noack, and Koumoutsakos


Figure 7
Comparison of standard neural network architecture (a) with modified neural network for
identifying Galilean invariant Reynolds stress models (b), reproduced from Ling et al. (2016b)
with permission from The Journal of Fluid Mechanics.

architecture (Ling et al. 2016a), which we believe will be essential in future efforts that
combine learning for physics. For large eddy simulation closures, Maulik et al. (2019) have
employed artificial neural networks to predict the turbulence source term from coarsely
resolved quantities.

3.2.5. Challenges of machine learning for dynamical systems. Applying machine learning to
model physical dynamical systems poses a number of unique challenges and opportunities.
Model interpretability and generalizability are essential cornerstones in physics. A well
crafted model will yield hypotheses for new phenomena that have not been observed before.
This principle is clearly exhibited in the parsimonious formulation of classical mechanics in
Newton’s second law.
High-dimensional systems, such as those encountered in unsteady fluid dynamics, have
the challenges of multi-scale dynamics, sensitivity to noise and disturbances, latent variables
and transients, all of which require careful attention when applying machine learning tech-
niques. In machine learning for dynamics, we distinguish two tasks: discovering unknown
physics and improving models by incorporating known physics. Many learning architec-
tures, cannot readily incorporate physical constraints in the form of symmetries, boundary
conditions, and global conservation laws. This is a critical area for continued development
and a number of recent works have presented generalizable physics models (Battaglia et al.
2018).

4. FLOW OPTIMIZATION AND CONTROL USING MACHINE LEARNING


Learning algorithms are well suited to flow optimization and control problems involving
“black-box” or multimodal cost functions. These algorithms are iterative and often require
several orders of magnitude more cost function evaluations than gradient based algorithms
(Bewley et al. 2001). Moreover they do not offer guarantees of convergence and we suggest
that they are avoided when techniques such as adjoint methods are applicable. At the
same time, techniques such as reinforcement learning have been shown to outperform even
optimal flow control strategies (Novati et al. 2019). Indeed there are several classes of flow
control and optimization problems where learning algorithms may be the method of choice
as described below.

www.annualreviews.org • Machine Learning for Fluid Dynamics 19


In contrast to flow modeling, learning algorithms for optimization and control interact
with the data sampling process in several ways. First, in line with the modeling efforts
described in earlier sections, machine learning can be applied to develop explicit surrogate
models that relate the cost function and the control/optimization parameters. Surrogate
models such as neural networks can then be amenable even to gradient based methods,
although they often get stuck in local minima. Multi-fidelity algorithms (Perdikaris et al.
2016) can also be employed to combine surrogates with the cost function of the complete
problem. As the learning progresses, new data are requested as guided by the results of
the optimization. Alternatively, the optimization or control problem may be described in
terms of learning probability distributions of parameters that minimize the cost function.
These probability distributions are constructed from cost function samples obtained during
the optimization process. Furthermore, the high-dimensional and non-convex optimization
procedures that are currently employed to train nonlinear learning machines are well-suited
to the high-dimensional, nonlinear optimization problems in flow control.
We remark that the lines between optimization and control are becoming blurred by the
availability of powerful computers (see focus box). However, the range of critical spatiotem-
poral scales and the non-linearity of the underlying processes will likely render real-time
optimization for flow control a challenge for decades to come.

4.1. Stochastic Flow Optimization: Learning Probability Distributions


Stochastic optimization includes evolutionary strategies and genetic algorithms, which were
originally developed based on bio-inspired principles. However, in recent years these algo-
rithms have been placed in a learning framework (Kern et al. 2004).
Stochastic optimization has found widespread use in engineering design, in particular as
many engineering problems involve “black-box” type of cost functions. A much abbreviated
list of applications include aerodynamic shape optimization (Giannakoglou et al. 2006),
uninhabited aerial vehicles (UAVs) (Hamdaoui et al. 2010), shape and motion optimization
in artificial swimmers (Gazzola et al. 2012; Van Rees et al. 2015), and improved power
extraction in crossflow turbines (Strom et al. 2017). We refer to the review article by

OPTIMIZATION AND CONTROL: BOUNDARIES ERASED BY FAST COMPUTERS


Optimization and control are intimately related, and the boundaries are becoming even less distinct with
increasingly fast computers, as summarized in Tsiotras & Mesbahi (2017):
“Interestingly, the distinction between optimization and control is largely semantic and (alas!)
implementation-dependent. If one has the capability of solving optimization problems fast enough on the
fly to close the loop, then one has (in principle) a feedback control law... Not surprisingly then, the same
algorithm can be viewed as solving an optimization or a control problem, based solely on the capabilities of the
available hardware.With the continued advent of faster and more capable computer hardware architectures,
the boundary between optimization and control will become even more blurred. However, when optimization
is embedded in the implementation of feedback control, the classical problems of control such as robustness
to model uncertainty, time delays, and process and measurement noise become of paramount importance,
particularly for high-performance aerospace systems.”

20 Brunton, Noack, and Koumoutsakos


Skinner & Zare-Behtash (2018) for an extensive comparison of gradient-based and stochastic
optimization algorithms for aerodynamics.
These algorithm involve large numbers of iterations, and they can benefit from mas-
sively parallel computer architectures. Advances in automation have also facilitated their
application in experimental (Strom et al. 2017; Martin & Gharib 2018) and industrial set-
tings (Bueche et al. 2002). We note that stochastic optimization algorithms are well-suited
to address the experimental and industrial challenges associated with uncertainty, such as
unexpected system behavior, partial descriptions of the system and its environment, and
exogenous disturbances. Hansen et al. (2009) proposed an approach to enhance the capa-
bilities of evolutionary algorithms for online optimization of a combustor test-rig.
Stochastic flow optimization will continue to benefit from advances in computer hard-
ware and experimental techniques. At the same time, convergence proofs, explainability,
and reliability are outstanding issues that need to be taken into consideration when de-
ploying such algorithms in fluid mechanics problems. Hybrid algorithms, combining in a
problem specific manner stochastic techniques and gradient-based methods may offer the
best strategy for flow control problems.

4.2. Flow Control with Machine Learning


Feedback flow control modifies the behavior of a fluid dynamic system through actuation
that is informed by sensor measurements. Feedback is necessary to stabilize an unstable
system, attenuate sensor noise, and compensate for external disturbances and model un-
certainty. Challenges of flow control include a high-dimensional state, nonlinearity, latent
variables, and time delays. Machine learning algorithms have been used extensively in
control, system identification, and sensor placement.

4.2.1. Neural networks for control. Neural networks have received significant attention for
system identification (see Sec. 3) and control, including applications in aerodynamics (Phan
et al. 1995). The application of NNs to turbulence flow control was pioneered in Lee
et al. (1997). The skin-friction drag of a turbulent boundary layer was reduced using
local wall-normal blowing and suction based on few skin friction sensors. A sensor-based
control law was learned from a known optimal full-information controller, with little loss
in overall performance. Furthermore, a single-layer network was optimized for skin-friction
drag reduction without incorporating any prior knowledge of the actuation commands.
Both strategies led to a conceptually simple local opposition control. Several other studies
employ neural networks, e.g. for phasor control (Rabault et al. 2019) or even frequency cross
talk. The price for the theoretical advantage of approximating arbitrary nonlinear control
laws is the need for many parameters to be optimized. Neural network control may require
exorbitant computational or experimental resources for configurations with complex high-
dimensional nonlinearities and many sensors and actuators. At the same time, the training
time of neural networks has been improved by several orders of magnitude since these early
applications, which warrants further investigation into their potential for flow control.

4.2.2. Genetic algorithms for control. Genetic algorithms have been deployed to solve a
number of flow control problems. They require that the structure of the control law is
pre-specified and contains only a few adjustable parameters. An example of GA for con-
trol design in fluids was used for experimental mixing optimization of the backward-facing

www.annualreviews.org • Machine Learning for Fluid Dynamics 21


Figure 8
Deep reinforcement learning schematic (left), and application to autonomous flight (middle; Reddy et al. (2018)) and to
study the collective motion of fish via the Navier-Stokes equations (right; Verma et al. (2018)).

step (Benard et al. 2016). As with neural network control, the learning time increases with
the number of parameters, making it challenging or even prohibitive for controllers with
nonlinearities, e.g. a constant-linear-quadratic law, with signal history, e.g. a Kalman filter,
or with multiple sensors and actuators.
Genetic programming has been used extensively in active control for engineering ap-
plications (Dracopoulos 1997; Fleming & Purshouse 2002) and in recent years in several
flow control plants. This includes the learning of multi-frequency open-loop actuation,
Reinforcement multi-input sensor feedback, and distributed control. We refer to Duriez et al. (2016) for
Learning: An agentan in-depth description of the method and to Noack (2018) for an overview of the plants.
learns a policy toWe remark that most control laws have been obtained within 1000 test evalutations, each
maximize its longrequiring only few seconds in a wind-tunnel.
term rewards by
interacting with its
environment. 4.3. Flow Control via Reinforcement Learning
In recent years RL has advanced beyond the realm of games and has become a funda-
mental mode of problem solving in a growing number of domains, including to reproduce
the dynamics of hydrological systems (Loucks et al. 2005), actively control the oscillatory
laminar flow around bluff bodies (Guéniat et al. 2016), study the individual (Gazzola et al.
2014) or the collective motion of fish (Gazzola et al. 2016; Novati et al. 2017; Verma et al.
2018), maximize the range of simulated (Reddy et al. 2016) and robotic (Reddy et al. 2018)
gliders, optimize the kinematic motion of UAVs (Kim et al. 2004; Tedrake et al. 2009), and
optimize the motion of microswimmers (Colabrese et al. 2017, 2018). Figure 8 provides a
schematic of reinforcement learning with compelling examples related to fluid mechanics.
Fluid mechanics knowledge is essential for applications of RL, as success or failure hinges
on properly selecting states, actions, and rewards that reflect the governing mechanisms of
the flow problem. Natural organisms and their sensors, such as the visual system in a bird
or the lateral line in a fish, can guide the choice of states. As sensor technologies progress at
a rapid pace, the algorithmic challenge may be that of optimal sensor placement (Papadim-
itriou & Papadimitriou 2015; Manohar et al. 2018). The actions reflect the flow actuation
device and may involve body deformation or wing flapping. Rewards may include energetic
factors, such as the cost of transport, or proximity to the center of a fish school to avoid pre-
dation. The computational cost of RL remains a challenge to its widespread adoption, but
we believe this deficiency can be mediated by the parallelism inherent to RL. There is grow-
ing interest in methods designed to be transferable from low-accuracy (e.g. 2-dimensional)
to high-accuracy (e.g. 3-dimensional) simulations (Verma et al. 2018), or from simulations
to related real-world applications (Richter et al. 2016; Bousmalis et al. 2017).

22 Brunton, Noack, and Koumoutsakos


5. DISCUSSION AND OUTLOOK
This review presents machine learning algorithms for the perspective of fluid mechanics.
The interface of the two fields has a long history and has attracted a renewed interest in the
last few years. We have reviewed applications of machine learning in problems of flow mod-
eling, optimization, and control in experiments and simulations. We have also highlighted
some successes of machine learning in critical fluid mechanics tasks, such as dimensionality
reduction, feature extraction, PIV processing, super-resolution, reduced-order modeling,
turbulence closure, shape optimization, and flow control. We discuss lessons learned from
these efforts and justify the current interest in light of the technological advances of our
times. Our goal was to provide a deeper understanding of machine learning and its context
in fluid mechanics. We emphasize that machine learning comprises data-driven optimiza-
tion and applied regression techniques that are well-suited for high-dimensional, nonlinear
problems, such as those encountered in fluid dynamics; fluid mechanics expertise will be
necessary to formulate these optimization and regression problems.
We argue that machine learning algorithms present an arsenal of tools, largely un-
explored in fluid mechanics research, that can augment existing modes of inquiry. We
believe that fluid mechanics knowledge and centuries old conservation laws remain relevant
in the era of big data. Such knowledge can help frame more precise questions and assist
in reducing the large computational cost often associated with the application of machine
learning algorithms in flow control and optimization. The exploration and visualization
of high-dimensional search spaces will be dramatically simplified by machine learning and
increasingly capable high-performance computing resources.
We also believe that experience with machine learning algorithms will help frame new
questions in fluid mechanics, extending decades old linearized models and linear approaches
to the nonlinear regime. The transition to the nonlinear realm of machine learning is facil-
itated by the abundance of open source software and methods, and the prevalent openness
of the ML community. In turn we expect a fresh look into old problems of fluid mechan-
ics under the light of data. Interpreting the machine learning solutions, and refining the
problem statement, will again require fluid mechanics expertise.
We also wish to add a word of caution in the current excitement about data-driven
research and the (almost magical) powers of machine learning. Applying machine learning
algorithms to fluid mecahnics is faced with numerous outstanding challenges (and oppor-
tunities!). Although many fields of machine learning are concerned with raw predictive
performance, applications in fluid mechanics often require models that are explainable,
generalizable, and have guarantees.
Although deep learning will undoubtedly become a critical tool in several aspects of
flow modeling, not all machine learning is deep learning. It is important to consider several
factors when choosing methods, including the quality and quantity of data, the desired
inputs and outputs, the cost function to be optimized, whether or not the task involves
interpolation or extrapolation, and how important it is for models to be explainable. We
must emphasize the importance of cross-validating machine learned models, otherwise re-
sults may be prone to overfitting. It is also important to develop and adapt machine
learning algorithms that are not only physics informed but also physics consistent, a major
outstanding challenge in artificial intelligence. We conclude with a call for action in the
fluid mechanics community to further embrace open and reproducible research products
and standards. Reproducibility is a cornerstone of science and a number of frameworks are
currently developed to render this intop a systematic scientifc process (Barber (2015)). It

www.annualreviews.org • Machine Learning for Fluid Dynamics 23


is increasingly possible to document procedures, archive code, and host data so that others
can reproduce results. Data is essential for machine learning; thus, creating and curating
benchmark datasets and software will spur interest among researchers in related fields, driv-
ing progress. These fluid benchmarks are more challenging than the “traditional” image
data sets encountered in machine learning: fluids data is multi-modal and multi-fidelity; it
Reproducibility: The
process of has high-resolution in some dimensions and is sparse in others; many tasks balance multiple
documenting objectives; and foremost, our data comes from a dynamical system, where many tasks do
procedures and not admit post-mortem analysis.
archiving code and We believe that we are entering a new era in fluid mechanics research. Centuries of
data so that others theoretical developments based on first principles are now merging with data-driven analy-
can fully reproduce
scientific results.
sis. We expect that this fusion will provide solutions to many long-sought problems in fluid
dynamics, first and foremost the enhanced understanding of its governing mechanisms.

SUMMARY POINTS
1. Machine learning entails powerful information processing algorithms that are rel-
evant for modeling, optimization, and control of fluids. Effective problem solvers
will have expertise in machine learning and in-depth knowledge of fluid mechanics.
2. Fluid mechanics is a traditional discipline of big data. For decades it has used
machine learning to understand, predict, optimize, and control flows. Currently,
machine learning capabilities are advancing at an incredible rate, and fluid me-
chanics is beginning to tap into the full potential of these powerful methods.
3. Many tasks in fluid mechanics, such as reduced-order modeling, shape optimization,
and feedback control, may be posed as optimization and regression tasks. Machine
learning can dramatically improve optimization performance and reduce conver-
gence time. Machine learning is also used for dimensionality reduction, identifying
low-dimensional manifolds and discrete flow regimes, which benefit understanding.
4. Flow control strategies have been traditionally based on the precise sequence: from
understanding to modeling and then control. The machine-learning paradigm sug-
gests more flexibility and iterates between data driven and first principle approaches.

FUTURE ISSUES
1. Machine learning algorithms often come without guarantees for performance, ro-
bustness, or convergence, even for well-defined tasks. How can interpretability,
generalizability, and explainability of the results be achieved?
2. Incorporating and enforcing known flow physics is a challenge and opportunity
for machine learning algorithms. Can we hybridize data driven and first principle
approaches in fluid mechanics?
3. There are many possibilities to discover new physical mechanisms, symmetries,
constraints, and invariances from fluids data.
4. Data driven modeling may be a potent alternative in revisiting existing empirical
laws in fluid mechanics.
5. Machine learning encourages open sharing of data and software. Can this assist the
development of frameworks for reproducible and open science in fluid mechanics?
6. Fluids researchers will benefit from interfacing with the machine learning commu-
nity, where the latest advances are reported in peer reviewed conferences.

24 Brunton, Noack, and Koumoutsakos


DISCLOSURE STATEMENT
The authors are not aware of any affiliations, memberships, funding, or financial holdings
that might be perceived as affecting the objectivity of this review.

ACKNOWLEDGMENTS
SLB acknowledges funding from the Army Research Office (ARO W911NF-17-1-0306,
W911NF-17-1-0422) and the Air Force Office of Scientific Research (AFOSR FA9550-18-
1-0200). BRN acknowledges funding by LIMSI-CNRS, Université Paris Sud (SMEMaG),
the French National Research Agency (ANR-11-IDEX-0003-02, ANR-17-ASTR-0022) and
the German Research Foundation (CRC880, SE 2504/2-1, SE 2504/3-1). PK acknowledges
funding from the ERC Advanced Investigator Award (FMCoBe, No. 34117), the Swiss
National Science Foundation and the Swiss Supercomputing center (CSCS). We are grate-
ful for discussions with Nathan Kutz (University of Washington), Jean-Christophe Loiseau
(ENSAM ParisTech, Paris), François Lusseyran (LIMSI-CNRS, Paris), Guido Novati (ETH
Zurich), Luc Pastur (ENSTA ParisTech, Paris), and Pantelis Vlachas (ETH Zurich).

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