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    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Understanding Data Science: An Emerging Discipline for Data-Intensive Discovery</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>© Michael L. Brodie CSAIL</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>MIT Cambridge</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Proceedings of the XVII International Conference «Data Analytics and Management in Data Intensive Domains» (DAMDID/RCDL'2015)</institution>
          ,
          <addr-line>Obninsk</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
      </contrib-group>
      <fpage>238</fpage>
      <lpage>245</lpage>
      <abstract>
        <p>Over the past two decades, Data-Intensive Analysis has emerged not only as a basis for the Fourth Paradigm of engineering and scientific discovery but as a basis for discovery in most human endeavors for which data is available. Originating in the 1960s, its recent emergence due to Big Data and massive computing power is leading to widespread deployment, yet it is in its infancy in its application and our understanding of it; hence in its development. Given the potential risks and rewards of Data-Intensive Analysis and its breadth of application, it is imperative that we get this right. The objective of this emerging Fourth Paradigm is more than acquiring data and extracting knowledge. Like its predecessor the scientific method, the objective of the Fourth Paradigm is to investigate phenomena by acquiring new knowledge, and correct and integrate it with previous knowledge. In addition, data science is a body of principles and techniques with which to measure and improve the correctness, completeness, and efficiency of Data-Intensive Analysis. It is now time to identify and understand the fundamentals. In my research, I have analyzed more than 30 very large-scale use cases to understand current practical aspects, to gain insight into the fundamentals, and to address the fourth “V” of Big Data - veracity -- the accuracy of the data and the resulting analytics This development may take decades.</p>
      </abstract>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1 Data Science: A New Discovery Paradigm</title>
    </sec>
    <sec id="sec-2">
      <title>That Will Transform Our World</title>
      <sec id="sec-2-1">
        <title>1.1 Introduction</title>
        <p>
          Over the past two decades, Data-Intensive Analysis
(also called Big Data Analytics) has emerged not only
as a basis for the Fourth Paradigm [
          <xref ref-type="bibr" rid="ref8">8</xref>
          ] of engineering
and scientific discovery but more broadly as a basis for
discovery in most human endeavours for which data is
available. Roots of Data-Intensive Analysis (DIA) that
have led to its recent dramatic growth include Big Data
(c. 2000) that, just emerging, is opening the door to
profound change – to new ways of reasoning, problem
solving, and processing that in turn bring new
opportunities and challenges.
        </p>
        <p>To better understand DIA and its opportunities
and challenges I examined over 30 DIA use cases that
are at very large-scale - in the range where theory and
practice may break. This paper summarizes some key
results of my research related to understanding and
defining Data Science as a body of principles and
techniques with which to measure and improve the
correctness, completeness, and efficiency of
DataIntensive Analysis. As with its predecessor discovery
paradigms, establishing this emerging Fourth Paradigm
and the underlying principles and techniques of Data
Science may take decades.</p>
      </sec>
      <sec id="sec-2-2">
        <title>1.2 Significance of DIA and Data Science</title>
        <p>
          Data Science is transforming discovery in many human
endeavours including healthcare, manufacturing,
education, financial modelling, policing, and marketing
[
          <xref ref-type="bibr" rid="ref10">10</xref>
          ][
          <xref ref-type="bibr" rid="ref13">13</xref>
          ]. It has been used to produce significant results
in areas from particle physics (e.g., Higgs Boson), to
identifying and resolving sleep disorders using Fitbit
data, to recommenders for literature, theatre, and
shopping. More than 50 national governments have
established data-driven strategies as an official policy as
in science and engineering [
          <xref ref-type="bibr" rid="ref2">2</xref>
          ] as well as in healthcare,
e.g., US National Institutes of Health and President
Obama’s Precision Medicine Initiative [
          <xref ref-type="bibr" rid="ref15">15</xref>
          ] for
“Delivering the right treatments, at the right time, every
time to the right person.” The hope, supported by early
results, is that data-driven techniques will accelerate the
discovery of treatments to manage and prevent chronic
diseases with more precision and that are tailored to
specific individuals as well as being at dramatically
lower cost.
        </p>
        <p>
          Data Science is being used to radically transform
entire domains, such as medicine and biomedical
research as stated as the purpose of the newly created
Center for Biomedical Informatics at the Harvard
Medical School. It is also making an impact in
economics [
          <xref ref-type="bibr" rid="ref14">14</xref>
          ], drug discovery [
          <xref ref-type="bibr" rid="ref17">17</xref>
          ], and many other
domains. As a result of its successes and potential Data
Science is rapidly becoming a sub-discipline of most
academic areas. These developments suggest the strong
belief in the potential value of Data Science – but can it
deliver?
        </p>
        <p>Early successes and clearly stated expectations of
Data Science are truly remarkable; however, its actual
deployment, like many hot trends, is far less than it
appears. According to Gartner’s 2015 survey of Big
Data Management and Analytics, 60% of the Fortune
500 claim to have deployed Data Science, less than
20% have implemented consequent significant changes
and less than 1% have optimized its benefits. Gartner
concludes that 85% will be unable to exploit Big Data
in 2015. The vast majority of deployments address
tactical aspects of existing processes and static business
intelligence rather than realizing its power by
identifying strategic advantages through discovering
previously unforeseen value.</p>
      </sec>
      <sec id="sec-2-3">
        <title>1.3 Illustrious Histories: The Origins of Data Science</title>
        <p>Data Science is in its infancy. Few individuals or
organizations understand the potential of and the
paradigm shift associated with Data Science, let alone
understand it conceptually. The high rewards and the
equally high risks and its pervasive application make it
imperative that we better understand Data Science – its
models, methods, processes, and results.</p>
        <p>
          Data Science is inherently multi-disciplinary
drawing on over 30 allied disciplines, according to
some definitions. Its principle components include
mathematics, statistics, and computer science especially
areas such as AI (e.g., machine learning), data
management, and high performance computing. While
these disciplines need to be evaluated in the new
paradigm, they have long illustrious histories. Data
analysis developed over 4,000 years ago with origins in
Babylon (17th-12th C BCE) and India (12th C BCE).
Mathematical analysis originated in the 17th C around
the time of the Scientific Revolution. While statistics
has its roots in 5th C BCE and the 18th C, its application
in Data Science originated in 1962 with John W. Tukey
[20] and George Box[
          <xref ref-type="bibr" rid="ref4">4</xref>
          ]. These long illustrious histories
suggest that Data Science draws on well-established
results that took decades or centuries to develop. To
what extent do they (e.g., statistical significance) apply
in this paradigmatically new context?
        </p>
        <p>
          Data Science constitutes a new paradigm in the
sense of Kuhn’s scientific revolutions [
          <xref ref-type="bibr" rid="ref12">12</xref>
          ]. Data
Science’s predecessor paradigm, the Scientific Method,
has approximately 2,000 years in the development of
empiricism starting with Aristotle (384-322 BCE),
Ptolemy (1st C), and the Bacons (13th, 16th C). Data
Science, a primary basis of eScience [
          <xref ref-type="bibr" rid="ref8">8</xref>
          ], collectively
termed the Fourth Paradigm, is emerging following the
~1,000-year development of its three predecessor
paradigms of scientific and engineering discovery:
theory, experimentation, and simulation [
          <xref ref-type="bibr" rid="ref8">8</xref>
          ]. Data
Science that has developed and been applied for over 50
years qualitatively changed in the late 20th century with
the emergence of Big Data, typically defined as data at
volumes, velocities, and variety that current
technologies, let alone humans, cannot handle
efficiently. This paper addresses another characteristic
that current technologies and theories do not handle
well, veracity.
        </p>
      </sec>
      <sec id="sec-2-4">
        <title>1.4 What Could Possibly Go Wrong?</title>
        <p>
          Do we understand the risks of recommending the wrong
film, the wrong product, the wrong medical diagnoses,
treatments, or drugs? The minimal apparent risk of a
result that fails to achieve its objectives when acted
upon includes losses in time, resources, customer
satisfaction, customers, and potentially a loss of
business. The vast majority of Data Science
applications face such small risks; hence veracity has
received little attention. Far greater risks could be
incurred if incorrect Data Science results are acted upon
in critical contexts, such as those already underway in
drug discovery [
          <xref ref-type="bibr" rid="ref18">18</xref>
          ] and personalized medicine. Most
scientists in these contexts are well aware of the risks of
errors, hence go to extremes to estimate and minimize
them. The wonder of CERN’s ATLAS and CMS
projects “discovery” of the Higgs Boson announced
July 4, 2012 with a confidence of 5 sigma might
suggest that the results were achieved overnight. They
were not. They took 40 years and included Data Science
techniques developed over a decade applied over Big
Data by two independent projects, ATLAS and CMS,
each of which were subsequently peer reviewed and
published [
          <xref ref-type="bibr" rid="ref1">1</xref>
          ][
          <xref ref-type="bibr" rid="ref11">11</xref>
          ] with a further yearlong verification
that established a confidence of 10 sigma. To what
extent do the vast majority of Data Science applications
concern themselves with verification and error bounds
let alone understand the verification methods applied at
CERN? Informal surveys of data scientists conducted in
this study at Data Science conferences suggest that 80%
of customers never ask for error bounds.
        </p>
        <p>
          The existential risks of applying Data Science have
been raised by world leading authorities such as the
Organization for Economic Cooperation and
Development, the AI [
          <xref ref-type="bibr" rid="ref3">3</xref>
          ][
          <xref ref-type="bibr" rid="ref7">7</xref>
          ][
          <xref ref-type="bibr" rid="ref9">9</xref>
          ][19] and legal [
          <xref ref-type="bibr" rid="ref5">5</xref>
          ]
communities with the most extreme concerns stated by
the Future of Life Institute with the objective of
safeguarding life and developing optimistic visions of
the future in order to mitigate existential risks facing
humanity from AI.
        </p>
        <p>Given the potential risks and rewards of DIA
and of its breadth of application across conventional,
empirical scientific and engineering domains as well as
across most human endeavors we better get this right!
The scientific and engineering communities place high
confidence in their existing discovery paradigms with
well-defined measures of likelihood and confidence
within relatively precise error estimates1. Can we say
the same for modern Data Science as a discovery
paradigm and for its results? A simple observation of
the formal development of the processes and methods
of its predecessors suggest that we cannot. Indeed, we
do not know if or under what conditions the constituent
disciplines, like statistics, may break down.</p>
        <p>Do we understand DIA to the extent that we can
assign probabilistic measures of likelihood to its
results? With the scale and emerging nature of
DIA1 Even after 1,000 years serious issues persist, e.g., P values
(significance) and reproducibility.
based discovery, how do we estimate the correctness
and completeness of analytical results relative to a
hypothesized discovery question when the underlying
principles and techniques may not apply in this new
context?</p>
        <p>
          In summary, we do not yet understand DIA
adequately to quantify the probability or likelihood that
a projected outcome will occur within estimated error
bounds. While CERN used Data Science and Big Data
to identify results, verification was ultimately empirical,
as it must be in drug discovery [
          <xref ref-type="bibr" rid="ref18">18</xref>
          ] and other critical
areas, until analytical techniques are developed and
proven robust.
        </p>
      </sec>
      <sec id="sec-2-5">
        <title>1.5 Do We Understand Data Science?</title>
        <p>
          Do we even understand what Data Science methods
compute or how they work? Human thought is limited
by the human mind. According to Miller’s Law [
          <xref ref-type="bibr" rid="ref14">14</xref>
          ],
the human mind (short term working memory) is
capable of conceiving less than ten (7 +/- 2) concepts at
one time. Hence, humans have difficulty understanding
complex models involving more than ten variables. The
conventional process is to imagine a small number of
variables2 then abstract or encapsulate that knowledge
into a model that can subsequently augmented with
more variables. Thus most scientific theories develop
slowly over time into complex models. For example,
Newton’s model of particle physics was extended for
350 years through Bohr, Heisenberg, Einstein, and
others, up to Glashow, Salam, and Weinberg, to form
The Standard Model of Particle Physics. Scientific
discovery in particle physics is wonderful and has taken
over 350 years. Due to its complexity no physicist has
understood the entire Standard Model for decades,
rather it is represented in complex, computational
models.
        </p>
        <p>When humans analyse a problem, they do so with
models with a limited number of variables. As the
number of variables increase, it is increasingly difficult
to understand the model and the potential combinations
and correlations. Hence, humans limit their models and
analyses to those that they can comprehend. These
human-scale models are typically theory-driven thus
limiting their scale (number of variables) to what can be
conceived.</p>
        <p>What if the phenomenon is arbitrarily complex or
beyond immediate human conception? I suspect that
this is addressed iteratively with one model (theory)
becoming abstracted as the base for another more
complex theory, and so on (standing on the shoulders of
those who have gone before), e.g., the development of
quantum physics from elementary particles. That is,
once the human mind understands a model, it can form
the basis of a more complex model. This development
under the scientific method scales at a rate limited by
human conception thus limiting the number of variables
and complexity. This is error-prone since phenomena
may not manifest at a certain level of complexity hence</p>
        <sec id="sec-2-5-1">
          <title>2 Physical science PhDs typically involve &lt; 5 variables.</title>
          <p>models correct at one scale may be wrong at a larger
scale or vice versa, a model wrong at one scale (hence
discarded) may become correct at a higher scale (more
complex model).</p>
          <p>Machine learning algorithms can identify
correlations between thousands, millions, or even
billions of variables. This suggests that it is difficult to
impossible for humans to understand what or how these
algorithms discover. Imagine trying to understand such
a model that results from selecting some subset of the
correlations on the assumption that they may be causal
thus constitute a model of the phenomenon with high
confidence of being correct with respect to some
hypotheses, with or without error bars.</p>
        </sec>
      </sec>
      <sec id="sec-2-6">
        <title>1.6 Cornerstone of A New Discovery Paradigm</title>
        <p>
          The Fourth Paradigm - eScience supported by Data
Science - is paradigmatically different from its
predecessor discovery paradigms. It provides
revolutionary new ways [
          <xref ref-type="bibr" rid="ref12">12</xref>
          ] of thinking, reasoning and
processing - new modes of inquiry, problem solving,
and decision-making. It is not the Third Paradigm
augmented by Big Data, but something profoundly
different. Losing sight of this difference forfeits its
power and benefits and loses the perspective that it is A
Revolution That Will Transform How We Live, Work,
and Think [
          <xref ref-type="bibr" rid="ref13">13</xref>
          ].
        </p>
        <p>Paradigm shifts are difficult to notice as they
emerge, just as the proverbial frog does not notice that
its hot bath is becoming lethal. There are several ways
to describe the shift. There is a shift of resources from
(empirically) discovering causality (Why the
phenomenon occurs) – the heart of the Scientific
Method – to discovering interesting correlations (What
might have occurred). This shift involves moving from
a strategic perspective driven by human generated
hypotheses (theory-driven, top-down) to a tactical
perspective driven by observations (data-driven,
bottom-up).</p>
        <p>Seen at their extremes, the Scientific Method
involves testing hypotheses (theories) posed by
scientists while Data Science can be used to generate
hypotheses to be tested based on significant correlations
amongst variables that are identified algorithmically in
the data. In principle, vast amounts of data and
computing power can be used to accelerate discovery
simply by outpacing human thinking in both power and
complexity. The power of Data Science is growing
rapidly due to the development of ever more powerful
computing resources and algorithms, such as deep
learning. So rather than optimize an existing process,
Data Science can be used to identify patterns that
suggest unforeseen solutions, thus automating
serendipity as it is called when a human observes an
anomaly that stimulated a bright idea to resolve it.</p>
        <p>However, even more compelling is one step beyond
the simple version of this shift, namely a symbiosis of
the both paradigms. For example, Data Science can be
used to offer highly probable hypotheses or correlations
from which we select those with acceptable error
estimates and that are worthy of subsequent empirical
analysis. In turn, empiricism is used to pursue these
hypotheses until some converge and some diverge at
which point Data Science can be applied to refine or
confirm the converging hypotheses, having discarded
the divergent hypotheses, and the cycle starts again.
Ideally, one would optimize the combination of
theorydriven empirical analysis with data-driven analysis to
accelerate discovery faster than either on their own.</p>
        <p>While Data Science is a cornerstone of a new
discovery paradigm, it may be conceptually and
methodologically more challenging than its
predecessors since it involves everything included in its
predecessor paradigms – modelling, methods,
processes, measures of correctness, completeness, and
efficiency – in a much more complex context, namely
that of Big Data. Following well-established
developments, we should try to find the fundamentals of
Data Science – its principles and techniques – to help
manage the complexity and guide its understanding and
application.</p>
      </sec>
    </sec>
    <sec id="sec-3">
      <title>2 Data Science: A Perspective</title>
      <p>Since Data Science is in its infancy and is inherently
multi-disciplinary, there are naturally many definitions
of Data Science that should emerge and evolve with the
discipline. As definitions serve many purposes, it is
reasonable to have multiple definitions each serving
different purposes. Most Data Science definitions
attempt to define Why (it’s purpose), What (constituent
disciplines), and How (constituent actions of discovery
workflows).</p>
      <p>A common definition of Data Science is the
activity of extracting knowledge from data3. While
simple, it does not convey the larger goal of Data
Science or its consequent challenges. A DIA activity is
far more than a collection of actions or the mechanical
processes of acquiring and analyzing data. Like its
predecessor paradigm, the Scientific Method, the
purpose of Data Science and a DIA activity is to
investigate phenomena by acquiring new knowledge,
and correcting and integrating it with previous
knowledge – continually evolving our current
understanding of the phenomena based on newly
available data. We seldom start from scratch, clearly the
simplest case here. Hence, discovering, understanding,
and integrating data must precede extracting knowledge
all at massive scale, i.e., largely by automated means.</p>
      <p>The Scientific Method that underlies the Third
Paradigm is a body of principles and techniques that
provide the formal and practical bases of scientific and
engineering discovery. The principles and techniques
have been developed over hundreds of years originating
with Plato and are still evolving today with significant
unresolved issues such as statistical significance, (i.e., P
values) and reproducibility.</p>
      <p>
        While Data Science had its origins 50 years ago
with Tukey [19] and Box [
        <xref ref-type="bibr" rid="ref4">4</xref>
        ] it started to change
3 Wikipedia.com
qualitatively less than two decades ago with the
emergence of Big Data and the consequent paradigm
shift described above. The focus of this research into
modern Data Science is on veracity – the ability to
estimate the correctness, completeness, and efficiency
of an end-to-end DIA activity and of its results. Hence,
I use the following definition that is in the spirit of [
        <xref ref-type="bibr" rid="ref17">17</xref>
        ].
      </p>
      <p>Data Science is a body of principles and
techniques for applying data-intensive analysis to
investigate phenomena, acquire new knowledge,
and correct and integrate previous knowledge with
measures of correctness, completeness, and
efficiency of the derived results with respect to
some pre-defined (top down) or emergent (bottom
up) specification (scope, question, hypothesis).</p>
    </sec>
    <sec id="sec-4">
      <title>3 Understanding Data Science From</title>
    </sec>
    <sec id="sec-5">
      <title>Practice</title>
      <sec id="sec-5-1">
        <title>3.1 Methodology to Better Understand DIA</title>
        <p>Driven by a passion for understanding Data Science in
practice, my year-long and on-going research study has
investigated over 30 very large scale Big Data
applications most of which have produced or are daily
producing significant value. The use cases include
particle physics; astrophysics and satellite imagery;
oceanography; economics; information services; several
life sciences applications in pharmaceuticals, drug
discovery, and genetics; and various areas of medicine
including precision medicine, hospital studies, clinical
trials, intensive care unit and emergency room
medicine.</p>
        <p>The focus is to investigate relatively
wellunderstood, successful use cases where correctness is
critical and the Big Data context is at massive scale;
such use cases constitute less than 5% of all deployed
Big Data analytics. The focus was on these use cases, as
we do not know where errors may arise outside normal
scientific and analytical errors. There is a greater
likelihood that established disciplines, e.g., statistics
and data management, might break at very large scale
where errors due to failed fundamentals may be more
obvious.</p>
        <p>The breadth and depth of the use cases revealed
strong, significant emerging trends, some of which are
listed below. These confirmed for some use case
owners, and suggested to others, solutions and
directions that they were pursuing but could not have
seen without the perspective of 30+ use cases.</p>
      </sec>
      <sec id="sec-5-2">
        <title>3.2 DIA Processes</title>
        <p>A Data-Intensive-Activity is an analytical process that
consists of applying sophisticated analytical methods to
large data sets that are stored under some analytical
models. While this is the typical view of Data Science
projects or DIA use cases, this analytical component of
the DIA activity constitutes ~20% of an end-to-end DIA
pipeline or workflow. Currently it consumes ~20% of
the resources required to complete a DIA analysis.</p>
        <sec id="sec-5-2-1">
          <title>An end-to-end DIA activity involves two data</title>
          <p>management processes that precede the DIA process,
namely Raw Data Acquisition and Curation, and
Analytical Data Acquisition. Raw Data Acquisition and
Curation starts with discovering and understanding data
in data sources and ends with integrating and storing
curated data in a repository that represents entities in the
domain of interest and metadata about those entities
with which to make a specific interpretations and that is
shared by a community of users. Analytical Data
Acquisition starts with discovering and understanding
data within the shared repository and ends with storing
the resulting information, specific entities and
interpretations, into an analytical model to be used by
the subsequent DIA process.</p>
          <p>Sophisticated algorithms such as machine
learning largely automate DIA processes, as they have
to be automated to process such large volumes of data
using complex algorithms. Currently, Raw Data
Acquisition and Curation, and Analytical Data
Acquisition processes are far less automated typically
requiring 80% or more of the total resources to
complete.</p>
          <p>This understanding leads to the following
definitions.</p>
        </sec>
      </sec>
      <sec id="sec-5-3">
        <title>Data-Intensive Discovery (DID) is the activity of</title>
        <p>using Big Data to investigate phenomena, to
acquire new knowledge, and to correct and
integrate previous knowledge.
“-Intensive” is added when the data is “at scale”.
Theory-driven DID is the investigation of human
generated scientific, engineering, or other hypotheses
over Big Data. Data-Driven DID employs automatic
hypothesis generation.</p>
      </sec>
      <sec id="sec-5-4">
        <title>Data-Intensive Analysis is the process of</title>
        <p>analyzing Big Data with analytical methods and
models.</p>
        <p>DID goes beyond the Third paradigm of
scientific or engineering discovery by investigating
scientific or engineering hypotheses using DIA. A DIA
activity is an experiment over data thus requiring all
aspects of a scientific experiment, e.g., experimental
design, expressed over data, a.k.a. data-based
empiricism.</p>
        <sec id="sec-5-4-1">
          <title>A DIA Process (workflow or pipeline) is a</title>
          <p>sequence of operations that constitute an
end-toend DIA activity from the source data to the
quantified, qualified result.</p>
          <p>Currently, ~80% of the effort and resources required for
the entire DIA activity are due to the two data
management processes – areas where scientists /
analysts are not experts. Emerging technology, such as
for data curation at scale, aims to flip that ratio from
80:20 to 20:80 so as to let scientists do science; analysts
do analysis; etc. This requires an understanding of the
data management processes and their correctness,
completeness, and efficiency in addition to those of the
DIA process. Another obvious consequence is that
proportionally 80% of the errors that could arise in DIA
may arise in the data management processes, prior to
DIA even starting.</p>
        </sec>
      </sec>
      <sec id="sec-5-5">
        <title>3.3 Characteristics of Large-Scale DIA Use Cases</title>
        <p>The focus of my research is successful, very large scale,
multi-year projects with many with 100s to 1,000s, of
ongoing DIA activities. These activities are supported
by a DIA ecosystem consisting of a community of users
(e.g., over 5,000 scientists in the ATLAS and CMS
projects at CERN and similar numbers of scientists
using the worldwide Cancer Genome Atlas) and
technology (e.g., science gateways4, collectively
referred to in some branches of science as networked
science). Some significant trends that have emerged
from the analysis of these use cases are listed, briefly,
below.</p>
        <p>The typical view of Data Science appears to be
based on the vast majority (~95%) of DIA use cases.
While they share some characteristics with those in this
study, there are fundamental differences such as the
concern for and due diligence associated with veracity
as mentioned above.</p>
        <p>Based on this study data analysis appears to fall
into three classes. Conventional data analysis over
“small data” accounts for at least 95% of all data
analysis, often using Microsoft Excel. DIA over Big
Data has two sub-classes, simple DIA, i.e., the vast
majority of DIA use cases mentioned above, and
complex DIA such as the use cases analyzed in this
study that are characterized by complex analytical
models (e.g., sub-models of the Standard Model of
Physics, economic models, an organizational model for
enterprises worldwide, and models for genetics and
epigenetics) and a corresponding plethora of analytical
methods (e.g., the vast method libraries in CERN’s
Root framework). The complexity of the models and
methods are as complex as the phenomena being
analyzed.</p>
        <p>The most widely used DIA tools for simple cases
claim to support analyst self-service in point-and-click
environments, some claiming “point us at the data and
we will find the patterns of interest for you”. This
characteristic is infeasible in the use cases analyzed. A
requirement common to the use cases analyzed is not
only the principle of being machine driven and human
guided, i.e., a man-machine symbiosis, but extensive
attempts to optimize this symbiosis for scale, cost, and
precision (too much human-in-the-loop leads to errors,
too little leads to nonsense).</p>
        <p>DIA ecosystems are inherently multi-disciplinary
(ideally interdisciplinary), collaborative, and iterative.
Not only does DIA (Big Data Analytics) require
multiple disciplines, e.g., genetics, statistics and
machine learning, so too do the data management
processes require multiple disciplines, e.g., data
management, domain and machine learning experts for
4 There are over 60 large-scale scientific gateways, e.g., The
Cancer Genome Atlas and CERN’s Worldwide LHC
Computing Grid.
data curation, statisticians for sampling, etc.</p>
        <p>
          In large-scale DIA ecosystems, a DIA is a virtual
experiment [
          <xref ref-type="bibr" rid="ref6">6</xref>
          ]. Far from claims of simplicity and
point-and-click self-service, most large-scale DIA
activities reflect the complexity of the analysis at hand
and are the result of long-term (months to years)
experimental designs that involve greater complexity
than their empirical counterparts to deal with scale,
significance, hypotheses, null hypotheses, and deeper
challenges such as determining causality from
correlations and identifying and dealing with biases and
often irrational human intervention.
        </p>
        <p>Finally, veracity is one of the most significant
challenges and critical requirements of all DIA
ecosystems studied. While there are many, complex
methods in conventional Data Science to estimate
veracity most owners of use cases studied expressed
concern for adequately estimating veracity in modern
Data Science. Most assume that all data is imprecise;
hence require probabilistic measures and error bars
and likelihood estimates for all results. More basically,
most DIA ecosystem experts recognize that errors can
arise across an end-to-end DIA activity and are
investing substantially in addressing these issues in both
the DIA processes and the data management processes
that currently require significant human guidance.</p>
        <p>An objective of this research is to discover the
extent to which the above characteristics of very large
scale, complex DIAs also apply to simple DIAs. There
is a strong likelihood that they apply directly but are
difficult to detect. That is the principles and techniques
of DIA apply equally to simple and complex DIA.</p>
      </sec>
      <sec id="sec-5-6">
        <title>3.4 Looking Into A Use Case</title>
        <sec id="sec-5-6-1">
          <title>Due to the detail involved, there is not space in this</title>
          <p>chapter or book to describe a single use case considered
in this study. However, let’s look into a single step of a
use case involving a virtual experiment conducted at
CERN in the Atlas project. The heart of empirical
science is experimental design. It starts by identifying,
formulating, and verifying a worthy hypothesis to
pursue. This first complex step typically involves a
multi-disciplinary team, called the collaborators for this
virtual experiment, often from around the world for
more than a year. We consider the second step, the
construction of the control or background model
(executable software and data) that creates the
background (e.g., executable or testable model and a
given data set) required as the basis within which to
search (analyze) for “signals” that would represent the
phenomenon being investigated in the hypothesis. This
is the control that completely excludes the data of
interest. The data of interest (the signal region) is
“blinded” completely so as not to bias the experiment.
The background (control) is designed using software
that simulates relevant parts of the standard model of
particle physics plus data from Atlas selected with the
appropriate signatures with the data of interest blinded.</p>
          <p>Over time Atlas contributors have developed
simulations of many parts of the standard model.</p>
          <p>Hence, constructing the model required for the
background involves selecting and combining relevant
simulations. If there is no simulation for some aspect
that you require, then it must be requested or you may
have to build it yourself. Similarly, if there is no
relevant data of interest in the experimental data
repository, it must be requested from subsequent
capture from the detectors when LHC is next fired up in
the appropriate energy levels. This comes from a
completely separate team running the (non-virtual)
experiment.</p>
          <p>The development of the background is
approximately a one person-year activity as it involves
the experimental design, the design and refinement of
the model (software simulations), the selection of
methods and tuning to achieve the correct signature
(i.e., get the right data), verify the model (observe
expected outcomes when tested), and dealing with
errors (statistical and systematic) that arise from the
hardware or process. The result of the Background
phase is a model approved by the collaborative to
represent the background required by the experiment
with the signal region blinded. The model is an
“application” that runs on the Atlas “platform” using
Atlas resources - libraries, software, simulations, and
data much drawing on the ROOT framework, CERN’s
core modeling and analysis infrastructure. It is verified
by being executed under various testing conditions.</p>
          <p>This is an incremental or iterative process each
step of which is reviewed. The resulting design
document for the Top Quark experiment was
approximately 200 pages of design choices, parameter
settings, and results - both positive and negative! All
experimental data and analytical results are
probabilistic. All results have error bars; in particle
physics they must be at least 5 sigma to be accepted.
This explains the year of iteration in which analytical
models are adjusted, analytical methods are selected
and tuned, and results reviewed by the collaboration.</p>
          <p>The next step is the actual virtual experiment. This
too takes months. You might be surprised to find that
once the data is un-blinded (i.e., synthetic data is
replaced in the region of interest with experimental
data), the experimenter, often a PhD candidate, gets one
and only one execution of the “verified” model over the
experimental data.</p>
          <p>Hopefully this portion of a use case illustrates that
DIA is a complex but critical tool in scientific discovery
used with a well-defined understanding of veracity. It
must stand up to scrutiny that evaluates if the
experiment - consisting of all models, methods, and
data with probabilistic results and error bounds better
than 5 sigma – is adequate to be accepted by Science or
Nature as demonstrating that the hypothesized
correlation is causal.</p>
        </sec>
      </sec>
    </sec>
    <sec id="sec-6">
      <title>4. Research For An Emerging Discipline</title>
      <p>The next step in this research to better understand the
theory and practice of the emerging discipline of Data
Science; to understand and address its opportunities and
challenges; and to guide its development, is given in its
definition. Modern Data Science builds on conventional
Data Science and on all of its constituent disciplines
required to design, verify, and operate end-to-end DIA
activities, including both data management and DIA
processes, in a DIA ecosystem for a shared community
of users. Each discipline must be considered with
respect to which it contributes to
investigating phenomena, acquiring new knowledge,
and correcting and integrating new with previous
knowledge. Each operation must be understood with
respect to which correctness, completeness, and
efficiency can be estimated.</p>
      <p>This research involves identifying relevant
principles and techniques. Principles concern the
theories that are established formally, e.g.,
mathematically, and possibly demonstrated empirically.
Techniques involve the application of wisdom [21], i.e.,
domain knowledge, art, experience, methodologies,
practice, often called best practices. The principles and
techniques, especially those established for
conventional Data Science, must be verified and if
required extended, augmented, or replaced for the new
context of the Fourth Paradigm, especially its volumes,
velocities, and variety. For example, new departments
at MIT, Stanford, and the University of California,
Berkeley, are conducting such research under what
some are calling 21st Century Statistics.</p>
      <p>
        A final, stimulating challenge is what is called
meta-modelling or meta-theory. DIA, and more
generally Data Science, is inherently multi-disciplinary
[
        <xref ref-type="bibr" rid="ref10">10</xref>
        ]. This area emerged in the physical sciences in the
1980s and subsequently in statistics and machine
learning and is now being applied in other areas to
address combining results of multiple disciplines.
Analogously, meta-modelling arises when using
multiple analytical models and multiple analytical
methods to analyze different perspectives or
characteristics of the same phenomena. This extremely
natural and useful methodology, called ensemble
modelling, is required in many physical sciences,
statistics, and AI, and should be explored as a
fundament modelling methodology.
      </p>
      <sec id="sec-6-1">
        <title>Acknowledgement</title>
        <p>I gratefully acknowledge the brilliant insights and
improvements proposed by Prof Jennie Duggan,
Northwestern University and Prof Thilo Stadelmann,
Zurich University of Applied Sciences.
[19] J. Stajic, R. Stone, G. Chin, and B. Wible. 2015.</p>
        <p>Rise of the Machines. Science 349, 6245 (July
2015), 248–249.
[20] J. W. Tukey, “The Future of Data Analysis,” Ann.</p>
        <p>Math. Statist. pp. 1–67, 1962.
[21] Bin Yu, Data Wisdom for Data Science,
ODBMS.org, April 13, 2015.</p>
      </sec>
    </sec>
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