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      <title-group>
        <article-title>Ontology-based explanation of classifiers</article-title>
      </title-group>
      <contrib-group>
        <aff id="aff0">
          <label>0</label>
          <institution>Federico Croce Gianluca Cima Maurizio Lenzerini Tiziana Catarci Sapienza - University of Rome</institution>
        </aff>
      </contrib-group>
      <abstract>
        <p>The rise of data mining and machine learning use in many applications has brought new challenges related to classification. Here, we deal with the following challenge: how to interpret and understand the reason behind a classifier's prediction. Indeed, understanding the behaviour of a classifier is widely recognized as a very important task for wide and safe adoption of machine learning and data mining technologies, especially in high-risk domains, and in dealing with bias. We present a preliminary work on a proposal of using the Ontology-Based Data Management paradigm for explaining the behavior of a classifier in terms of the concepts and the relations that are meaningful in the domain that is relevant for the classifier.</p>
      </abstract>
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  <body>
    <sec id="sec-1">
      <title>INTRODUCTION</title>
      <p>One of the problems in processing information ethically is the
perpetuation and amplification of unfair biases existing in
training data and in the outcome of classifiers.</p>
      <p>
        It is well known that many learning algorithms (data analytics,
data mining, machine learning, ML) base their predictions on
training data and improve them with the growth of such data.
In a typical project, the creation and curation of training data
sets is largely a human-based activity and involve several people:
domain experts, data scientists, machine learning experts, etc. In
other words, data-related human design decisions afect learning
outcomes throughout the entire process pipeline, even if at a
certain point these decisions seem to disappear in the black-box
“magic” approach of ML algorithms. On the other hand, it is now
gaining attention the fact that humans typically sufer from
conscious and unconscious biases and current historical data used in
training set very often incorporate such biases, so perpetuating
and amplifying existing inequalities and unfair choices. While
researchers of diferent areas (from philosophy to computer
science passing through social sciences and law) have begun a rich
discourse on this problem, concrete solutions on how to address
it by discovering and eliminating unintended unfair biases are
still missing. A critical aspect in assessing and addressing bias
is represented by the lack of transparency, accountability and
human-interpretability of the ML algorithms that make overly
dificult to fully understand the expected outcomes. A famous
example is the COMPAS algorithm used by the Department of
Corrections in Wisconsin, New York and Florida that has led to
harsher sentencing toward African Americans [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ].
      </p>
      <p>In this paper we address the problem of providing
explanations for supervised classification. Supervised learning is the task
of learning a function that maps an input to an output based on
input-output pairs provided as examples. When applied to
classiifcation, the ultimate goal of supervised learning is to construct
algorithms that are able to predict the target output (i.e., the class)
of the proposed inputs. To achieve this, the learning algorithm
is provided with some training examples that demonstrate the
intended relation of input and output values. Then the learner is
supposed to approximate the correct output, so as to be able to
classify instances that have not been shown during training.</p>
      <p>The rise of machine learning use in many applications has
brought new challenges related to classification. Here, we deal
with the following challenge: how to interpret and understand
the reason behind a classifier’s prediction. Indeed, understanding
the behaviour of a classifier is recognized as a very important
task for wide and safe adoption of machine learning and data
mining technologies, especially in high-risk domains, and, as we
discussed above, in dealing with bias.</p>
      <p>
        In this paper we present a preliminary work on this subject,
based on the use of semantic technologies. In particular, we
assume that the classification task is performed in an organization
that adopts an Ontology-Based Data Management (OBDM)
approach [
        <xref ref-type="bibr" rid="ref15 ref16">15, 16</xref>
        ]. OBDM is a paradigm for accessing data using a
conceptual representation of the domain of interest expressed as
an ontology. The OBDM paradigm relies on a three-level
architecture, consisting of the data layer, the ontology, and the mapping
between the two.
      </p>
      <p>
        • The ontology is a declarative and explicit representation
of the domain of interest for the organization, formulated
in a Description Logic (DL) [
        <xref ref-type="bibr" rid="ref2 ref7">2, 7</xref>
        ], so as to take advantage
of various reasoning capabilities in accessing data.
• The data layer is constituted by the existing data sources
that are relevant for the organization.
• The mapping is a set of declarative assertions specifying
how the sources in the data layer relate to the ontology.
      </p>
      <p>Consequently, an OBDM specification is a triple J = ⟨O, S, M⟩
which, together with an S-database , form a so-called OBDM
system Σ = ⟨J , ⟩. Given such a system Σ, suppose that  is
the result of a classification task carried out by any actor, e.g., a
human or a machine, and that the objects involved in the
classification task are represented as tuples in the S-database , which
we assume relational.</p>
      <p>In particular, in this work we consider a binary classifier, and
therefore we regard  as a partial function  : dom() →
{+1, −1}, where  ≥ 1 is an integer. We denote by + (resp.,
−) the set of tuples that have been classified positively (resp.,
negatively), i.e., + = {® ∈ dom() |  (®) = +1} (resp., − =
{® ∈ dom() |  (®) = −1}).</p>
      <p>We observe that another view of the partial function  is that
of a training set. In this case, + represents the tuples tagged
positively during the classifier training, while − represents the
tuples tagged negatively.</p>
      <p>Intuitively, our goal is to derive an expression over O that
semantically describes the partial function  in the best way w.r.t.
Σ. In other words, the main task in our framework is searching
for a “good” definition of  using the concepts and the roles of
the ontology. Without loss of generality, we consider such an
expression to be a query  over O, and we formalize the notion of
“semantically describing”  by requiring that the certain answers
to  w.r.t. Σ include all the tuples in + (or, as many tuples in +
as possible), and none of the tuples in − (or, as few tuples in −
as possible).</p>
      <p>
        Following the terminology of some recent papers, the goal
of our framework can be generally described as the reverse
engineering task of finding a describing query, from a set of
examples in a database. The roots of this task can be found in
the Query By Example (QBE) approach for classical relational
databases [
        <xref ref-type="bibr" rid="ref18 ref19 ref3 ref4">3, 4, 18, 19</xref>
        ]. In a nutshell, such an approach allows a
user to explore the database by providing a set of positive and
negative examples to the system, implicitly referring to the query
whose answers are all the positive examples and none of the
negatives. This idea has also been studied by the Description
Logics (DLs) community, with a particular attention to the line
of research of the so-called concept learning. In particular, the
work in [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ] has an interesting characterization of the
complexity of learning an ontology concept, formulated in expressive
DLs, from positive and negative examples. We also mention the
concept learning tools in [
        <xref ref-type="bibr" rid="ref12 ref17 ref5">5, 12, 17</xref>
        ], that include several learning
algorithms and support an extensive range of DLs, even
expressive ones such as ALC and ALCQ. Finally, we consider the
work in [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ] to be related to our work. The authors study the
problem of deriving (unions of) conjunctive queries, with
ontologies formulated in Horn-ALCI, deriving algorithms and tight
complexity bounds.
      </p>
      <p>
        Our work is focused on the Ontology-Based Data
Management (OBDM) paradigm [
        <xref ref-type="bibr" rid="ref11 ref6">6, 11</xref>
        ]. Having the layer for linking the
data to the ontology is a non trivial extension of the problem,
that has important consequences, as we will show in a
following section of this paper. The goal of this paper is to present a
general framework for explaining a classifier by means of an
ontology, that can be adapted to several diferent contexts. For
this reason, an important aspect of our framework, is the
possibility of defining a number of criteria one wants the output
query to be optimized on. This flexibility, makes it possible to
derive completely diferent solutions, depending on the specific
criteria in use. Specifically, given an OBDM system and a set of
positive and negative examples, the goal of the framework could
be to find a query over the ontology whose answers include all
the positive examples and none of the negatives. However, we
consider reasonable for some applications that one may want
to relax this requirement, and allow the framework to find a
query whose answers are as similar as possible to the positive
examples, includes only a small fraction of the negatives, and
enjoys additional predefined criteria.
2
      </p>
    </sec>
    <sec id="sec-2">
      <title>PRELIMINARIES</title>
      <p>Given a schema S, an S-database  is a finite set of atoms  (®),
where  is an -ary predicate symbol of S, and ® = (1, . . . , ) is
an -tuple of constants.</p>
      <p>As mentioned earlier, we distinguish between the specicfiation
of an OBDM system, and the OBDM system itself (cf. Figure 1).
An OBDM specification J determines the intensional level of
the system, and is expressed as a triple ⟨O, S, M⟩, where O is
an ontology, S is the schema of the data source, and M is the
mapping between S and O. Specifically, M consists of a set of
mapping assertions, each one relating a query over the source
schema to a query over the ontology. An OBDM system Σ =
⟨J , ⟩ is obtained by adding to J an extensional level, which is
given in terms of an S-database , which represents the data at
the source, and is structured according to the schema S.</p>
      <p>The formal semantics of ⟨J , ⟩ is specified by the set Mod ( J )
of its models, which is the set of (logical) interpretations I for O
such that I is a model of O, i.e., it satisfies all axioms in O, and
⟨, I⟩ satisfies all the assertions in M. The satisfaction of a
mapping assertion depends on its form, which is meant to represent
semantic assumptions about the completeness of the source data
with respect to the intended ontology models. Specifically, sound
(resp., complete, exact) mappings capture sources containing a
subset (resp., a superset, exactly the set) of the expected data.</p>
      <p>In OBDM, the main service to be provided by the system is
query answering. The user poses queries by referring only to
the ontology, and is therefore masked from the implementation
details and the idiosyncrasies of the data source. The fact that the
semantics of ⟨J , ⟩ is defined in terms of a set of models makes
the task of query answering involved. Indeed, query answering
cannot be simply based on evaluating the query expression over
a single interpretation, like in traditional databases. Rather, it
amounts to compute the so-called certain answers, i.e., the tuples
that satisfy the query in all interpretations in Mod ( J ), and
has therefore the characteristic of a logical inference task. More
formally, given a OBDM specification J = ⟨O, S, M⟩, a query
 O over O, and an S-database , we define the certain answers
of  O w.r.t. J and , denoted by certO, J , as the set of tuples ®
of S-constants such that ® ∈  , for every  ∈ Mod ( J ).
Obviously, the computation of certaOin answers must take into account
the semantics of the ontology, the knowledge expressed in the
mapping, and the content of the data source. Designing eficient
query processing algorithms is one of the main challenges of
OBDM. Indeed, an OBDM framework is characterized by three
formalisms:
(1) the language used to express the ontology;
(2) the language used for queries;
(3) the language used to specify the mapping.
and the choices made for each of the three formalisms afect
semantic and computational properties of the system.</p>
      <p>The axioms of the ontology allow one to enrich the
information coming from the source with domain knowledge, and hence
to infer additional answers to queries. The language used for
the ontology deeply afects the computational characteristics
of query answering. For this reason, instead of expressing the
ontology in first-order logic (FOL), one adopts tailored languages,
typically based on Description Logics (DLs), which ensure
decidability and possibly eficiency of reasoning.</p>
      <p>Also, the use of FOL (i.e., SQL) as a query language,
immediately leads to undecidability of query answering, even when the
ontology consists only of an alphabet (i.e., it is a flat schema), and
when the mapping is of the simplest possible form, i.e., it
specifies a one-to-one correspondence between ontology elements
and database tables. The language typically adopted is Union
of Conjunctive Queries (UCQs), i.e., FOL queries expressed as a
union of select-project-join SQL queries.</p>
      <p>With respect to mapping specification, the incompleteness of
the source data is captured correctly by mappings that are sound.
Moreover, allowing to mix sound mapping assertions with
complete or exact ones leads to undecidability of query answering,
even when only CQs are used in queries and mapping assertions,
and the ontology is simply a flat schema. As a consequence, all
proposals for OBDM frameworks so far, including the one in this
paper, assume that mappings are sound. In addition, the concern
above on the use of FOL applies also for the ontology queries in
the mapping. Note instead, that the source queries in the mapping
are directly evaluated over the source database, and hence are
typically allowed to be arbitrary (eficiently) computable queries.
3</p>
    </sec>
    <sec id="sec-3">
      <title>THE FRAMEWORK</title>
      <p>As we said in the introduction, we consider the result of a binary
classification task or the characterization of a training set for a
classifier as a partial function  : dom() → {+1, −1}, where
 ≥ 1 is an integer. We remind the reader that we denote by +
(resp., −) the set of tuples that have been classified positively
(resp., negatively), i.e., + = {® ∈ dom() |  (®) = +1} (resp.,
− = {® ∈ dom() |  (®) = −1}).</p>
      <p>Before formally defining when a query over O semantically
describes , we introduce some preliminary notions.</p>
      <p>Definition 3.1. Let W be a set of atoms. We say that an atom
 is reachable from W if there exists an atom  ∈ W such that
there is a constant  ∈ dom() that appears in both  and . □</p>
      <p>We now define which are the relevant atoms of an S-database
 w.r.t. a tuple ® ∈ dom() . To be as general as possible, we
introduce a parametric notion of border of radius  , where the
parameter  is a natural number whose intended meaning is to
indicate how far one is interested in going for identifying an
atom as relevant.</p>
      <p>Definition 3.2. Let  be an S-database, and let ® be a tuple in
dom() . Consider the following definition:
• W®,0 () = { ∈  |  has a constant  appearing in ®}
• W®,+1 () = { ∈  |  is reachable from W®, }
Then, for a natural number  , the border of radius  of ® in ,
denoted by B®, (), is:</p>
      <p>B®, () =</p>
      <p>W®, ().
Ø
0≤ ≤
□
We illustrate the notion of border of radius with an example.</p>
      <p>Example 3.3. Let the source database be  = {R(a,b), S(a,c),
Z(c,d), W(d,e), W(e,h), R(f,g)}, and let ® = ⟨a⟩. We have that:
• W®,0 () = { (, ),  (, )}
• W®,1 () = { (, )}
• W®,2 () = { (, )}
Finally, the border of radius 2 of ® in  is B®,2 ()
{ (, ),  (, ),  (, ),  (, )}.
=
□</p>
      <p>With the above notion at hand, we now define when a query
 O over the ontology O matches (w.r.t. an OBDM specification
J ) a border B®, () for a radius  , a tuple ®, and a source database
.</p>
      <p>Definition 3.4.</p>
      <p>A query  O J -matches a border B®, () of
B®, () . □
radius  of a tuple ® in a source database , if ® ∈ certO, J</p>
      <p>The next proposition establishes how FOL queries behave
when the radius  of a border B®, () increments.</p>
      <p>Proposition 3.5. Let J = ⟨O, S, M⟩ be an OBDM
specification, B®, () be a border of radius  of a tuple ® in an S-database
, and  O be a FOL query over O. If  O J -matches B®, (), then
 O J -matches B®, +1 ().
tions: () certO, J</p>
      <p>Proof. The proof is based on the following two
observa⊆ certO′ , J , for any OBDM specification
J = ⟨O, S, M⟩, FOL query  O , and pair of S-databases ,  ′
such that  ⊆  ′. (ii) B®, () ⊆ B®, +1 (), for any  ≥ 0 and
tuple ® of a database . □</p>
      <p>
        Similarly to what described in [
        <xref ref-type="bibr" rid="ref13 ref14 ref3">3, 13, 14</xref>
        ], one may be interested
in finding a query  O over O expressed in a certain language
L O that perfectly separates the set of tuples in + from the set
of tuples in −, that is, a query  O ∈ L O such that, for a given a
radius  , the following two conditions hold:
(1) for all ® ∈ +,  O J -matches B®, (),
(2) for all ® ∈ −,  O does not J -match B®, ().
      </p>
      <p>However, the following example shows that, even in very
simple cases, such query is not guaranteed to exists.</p>
      <sec id="sec-3-1">
        <title>Example 3.6. Consider the following database :</title>
        <p>+
−</p>
      </sec>
      <sec id="sec-3-2">
        <title>STUD A10 B80 C12</title>
        <p>D50
E25
Moreover, let O = {studies ⊑ likes}, and M be:</p>
      </sec>
      <sec id="sec-3-3">
        <title>ENR(x, y, z) ⇝ studies(x,y)</title>
      </sec>
      <sec id="sec-3-4">
        <title>ENR(x, y, z) ⇝ taughtIn(y,z)</title>
      </sec>
      <sec id="sec-3-5">
        <title>LOC(x, y) ⇝ locatedIn(x,y)</title>
        <p>Let L O be the class of conjunctive queries (CQ). It is possible
to show that there is no CQ-query over the ontology that
perfectly separates the set of tuples in + from the set of tuples in
−. Nonetheless, observe that there are several CQ-queries that
reasonably describe . For example:
1 ( ) ← studies(x,y) ∧ taughtIn(y,z) ∧ locatedIn(z, ‘Rome’)
2 ( ) ← studies(x, ‘Math’)
3 ( ) ← likes(x, ‘Science’)</p>
      </sec>
      <sec id="sec-3-6">
        <title>It is easy to verify that:</title>
        <p>• 1 Σ-matches B®,1 (), for all ® ∈ {A10, B80, D50}
• 2 Σ-matches B®,1 (), for all ® ∈ {A10, B80, E25}
• 3 Σ-matches B®,1 (), for all ® ∈ {C12, D50}
Looking at the above queries, one could ask which query is the
best. The answer to this question, however, is not trivial, since 2
Σ-matches 24 of B®,1 () for ® in +, and all B®,1 () for ® in −,
whilst 1 Σ-matches 34 of B®,1 () for ® in +, and no B®,1 () for
® in −. Besides, 3 Σ-matches 24 of B®,1 () for ® in +, and no
B®,1 () for ® in −. Finally, 2 and 3 have less atoms than 1.
□</p>
        <p>The above example suggests that searching for a query aiming
at semantically describing  with the only constraint of satisfying
conditions (1) and (2) may turn out to be unsatisfactory. For this
reason, we propose a diferent approach by complicating the
framework, so as to be potentially appealing in many diferent
contexts.</p>
        <p>In general, one is interested in a query  O over O expressed
in a certain language L O that accomplishes in the best way a
set Δ of criteria. We formalize the idea by introducing a set of
functions F , one for each criteria  ∈ Δ, and a mathematical
expression Z having a variable  for each criteria  ∈ Δ.</p>
        <p>Specifically, for a certain criteria  ∈ Δ, the value of the
function J,, ( O ) represents how much the query  O meets criteria
 for  w.r.t. the OBDM system Σ = ⟨J , ⟩ and the considered
radius  . Without loss of generality, we can obviously consider
all such functions to have the same range of values as their
codomain. Then, after instantiating each variable  in Z with
the corresponding value J,, ( O ), the total value of the obtained
expression, denoted by ZF ( O ), represents the Z-score of the
query  O under F .</p>
        <p>Among the various possible queries in a certain query
language L O , it is reasonable to look for the ones that give us the
highest possible score. This naturally led to the following main
definition of our framework:</p>
        <p>B®, ()?”
1 = “Are there many tuples ® ∈ + such that  O J -matches</p>
        <p>B®, ()?”
2 = “Are there few tuples ® ∈ + such that  O does not J
match B®, ()?”
3 = “Are there many tuples ® ∈ − such that  O does not</p>
        <p>J -match B®, ()?”
4 = “Are there few tuples ® ∈ − such that  O J -matches</p>
        <p>Furthermore, depending on the query language L O
considered, there may be many other meaningful criteria. For instance,
when L O = , one may be interested in 5 = “Are there few
atoms used by the query  O ?”, and when L O =   one may
be further interested in 6 = “Are there few disjuncts used by the
query  O ?”.</p>
        <p>We conclude this section by applying such newly introduced
framework to Example 3.6.</p>
        <p>Example 3.8. We refer to J ,  , , and the queries 1, 2, 3 as
in Example 3.6. Suppose one is interested in the set of criteria
Δ = {1, 4, 5}, with the following associated set of functions
F :
• 1 ( O ) = | {® ∈ + | O Σ-matches B®, () } |</p>
        <p>|+ |
| {® ∈ − | O Σ-matches B®, () } |
• 4 ( O ) = 1 − |− |</p>
        <p>1
• 5 ( O ) = |atoms appearing in O |
Now, consider the expression Z = 1 × 4 ×5 , i.e. the
aver +  +
age of the evaluations of each function of F , weighted over three
parameters  , , and  . One can verify that the following queries
best describe  w.r.t. J ,  , Δ, F , and Z, for each instantiation of
Z:
(1) ( =  =  = 1) → 3
(2) ( = 3,  = 1,  = 1) → 1
In fact, let Z1 be the instantiation of the parameters of the
expression Z corresponding to (1), then Z1 (1) = 0.693, Z1 (2) =
0.333, Z1 (3) = 0.833. Similarly, let Z2 be the instantiation of
the parameters of the expression Z corresponding to (2), then
Z2 (1) = 0.716, Z2 (2) = 0.5, Z2 (3) = 0.7. □
4</p>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>CONCLUSIONS</title>
      <p>
        We have presented a framework for using the Ontology-Based
Data Management paradigm in order to provide an explanation
of the behavior of a classifier. Our short term goal in this research
is to provide techniques for deriving useful explanations in terms
of queries over the ontology. Interestingly, the work in [
        <xref ref-type="bibr" rid="ref8 ref9">8, 9</xref>
        ]
provides a ground basis for the reverse engineering process described
in this paper, from the data sources to the ontology. Moreover,
the work in [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ] ofers an interesting set of techniques for
explaining query answers in the context of an OBDM. Our future
work will also include an evaluation of both the framework and
the techniques presented in this paper to real world settings.
      </p>
    </sec>
    <sec id="sec-5">
      <title>ACKNOWLEDGEMENTS</title>
      <p>This work has been partially supported by Sapienza under the
PRIN 2017 project “HOPE” (prot. 2017MMJJRE), and by European
Research Council under the European Union’s Horizon 2020
Programme through the ERC Advanced Grant WhiteMech (No.
834228).</p>
    </sec>
  </body>
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