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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Machine Learning Explanations by Surrogate Causal Models (MaLESCaMo)</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Alberto Termine</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Alessandro Antonucci</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Alessandro Facchini</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Dalle Molle Institute for Artificial Intelligence Research (IDSIA USI-SUPSI)</institution>
          ,
          <addr-line>Lugano</addr-line>
          ,
          <country country="CH">Switzerland</country>
        </aff>
      </contrib-group>
      <abstract>
        <p>Inferring causal explanations for machine learning models is a challenging task for eXplainable Artificial Intelligence (XAI). Counterfactual explanations, which are techniques to decide how to modify the model input to achieve a desired outcome, represents a possible first step in this direction. However, existing counterfactual explanation methods do not produce genuinely causal counterfactuals. These methods only exploit the correlations between features and target variables while ignoring the causal mechanisms among them. The project presented in this paper (and called MaLESCaMo) aims to develop a novel local and model-agnostic XAI procedure to generate genuine causal counterfactual explanations. Given a black-box predictor and an instance of the features, the procedure computes a counterfactual query in a surrogate causal model trained from a local neighbourhood of the input instance. To ease the domain expert elicitation of the causal model, we propose to adopt algorithms for partial ancestral graphs as a possible pre-processing step. A specialisation of the expectation maximisation algorithm is used instead to practically compute the causal queries.</p>
      </abstract>
      <kwd-group>
        <kwd>eol&gt;Counterfactual Explanations</kwd>
        <kwd>Model-agnostic Explanations</kwd>
        <kwd>Causal Inference</kwd>
        <kwd>Surrogate Models</kwd>
        <kwd>Ancestral Graphs</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Project Overview</title>
      <p>
        Consider the following example. Peter is a 32-year-old low-wage factory worker. He submits to a
bank a loan request. The bank processes the request with a black-box classifier and eventually
rejects the loan. Peter asks the reasons for the decision and what he can do to get the loan accepted.
For such kinds of scenarios, counterfactual explanations (CEs) are generally considered in the
Explainable AI (XAI) literature [
        <xref ref-type="bibr" rid="ref1 ref2 ref3">1, 2, 3</xref>
        ]. These correspond to synthetic instances suggesting to
the user the minimal modifications of the features to get the desired outcome [
        <xref ref-type="bibr" rid="ref4 ref5">4, 5</xref>
        ]. For example,
a CE might suggest that Peter increase his salary to get loan acceptance.
      </p>
      <p>
        However, CEs have the severe limitation of ignoring the causal relations among features often
present in real scenarios [
        <xref ref-type="bibr" rid="ref6 ref7">6, 7</xref>
        ]. Working in a factory, for instance, may have a direct causal impact
on one’s salary. Therefore, when suggesting to Peter to increase his income, it is important to
consider that this likely entails a need for him to change his job. Nevertheless, most CE methods
assume the features to be causally unrelated [
        <xref ref-type="bibr" rid="ref10 ref8 ref9">8, 9, 10</xref>
        ]. This assumption limits the explanations’
plausibility and undermines their causal robustness [
        <xref ref-type="bibr" rid="ref11">11</xref>
        ]. Furthermore, the causal information
provided by existing CEs is quite limited, as they neither facilitate the identification of the
necessary and sufficient conditions for a desired outcome, nor provide means to measure the
causal impact of each feature on that outcome. In the loan example, a CE can propose potential
actions for Peter to take. However, it cannot specify the necessary and sufficient conditions he
must fulfil for his request to be accepted.
      </p>
      <p>
        The MaLESCaMo project, presented in this paper, aims at countering these issues by
developing an XAI procedure to get causally-robust CEs based on surrogate causal models. The
procedure is local and model-agnostic. Given a supervised learning setup with features  and
target  , the procedure takes in input a black box predictor  , a single instance of the features ,
and a causal query , hence it answers the query via learning a surrogate causal model on a local
neighbourhood of . As we want the query  to be genuinely counterfactual, e.g., like Pearl’s
probabilities of causation [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ], the computation requires an explicit specification of a structural
causal model (SCM).
      </p>
      <p>
        In the above setup, a SCM is defined as a tuple ⟨, ℱ , { ( )}∈ ⟩ where  is a causal
directed graph whose nodes are in one-to-one correspondence with a set of endogenous variables
(,  ) and a set of exogenous variables  denoting latent factors and graphically represented by
the root nodes of  (see e.g. Fig. 1), ℱ is a collection of structural equations, each determining
the value of an endogenous variable as a deterministic function of its exogenous parents in , and
 ( ) is a probability distribution ranging over  ∈  [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ] .
      </p>
      <p>A complete SCM specification
Pneumonia Electrolytes might require extensive specific
domain knowledge to identify the
common latent causes, determine the
oriFloroquirolones Hospitalisation Epilepsy entation of the edges in the graph,
and specify both the exogenous
disFigure 1: An SCM with two exogenous variables (in grey). tributions and the structural
equations.</p>
      <p>
        In the lack of background domain knowledge to elicit the structural equations, we adopt a
conservative approach consisting of enumerating all the possible deterministic relations between
an endogenous variable and its endogenous parents in the causal graph [
        <xref ref-type="bibr" rid="ref14 ref15 ref16">14, 15, 16</xref>
        ]. Consider
the example in Fig. 1 and assume we do not know how Epilepsy impacts on Hospitalisation. In
this case, it sufcfies to enumerate all the possible deterministic relations between Epilepsy and
Hospitalisation, and let Electrolytes have the same number of states, viz. four if the variables are
Boolean, in order to index all those relations.
      </p>
      <p>
        Regarding the exogenous distributions, we consider the possibility of inferring them from
a joint endogenous distribution, trained, for instance, from a dataset of endogenous
observations. Following [
        <xref ref-type="bibr" rid="ref15">15</xref>
        ], it is possible to back-propagate the observational distribution through the
structural equations, thus inducing constraints on the exogenous distributions. The multi-valued
specification of the exogenous distributions induced by the constraints transforms the SCM into
a credal network (CN) [
        <xref ref-type="bibr" rid="ref17">17</xref>
        ]. Therefore, a counterfactual causal query can be computed in the
CN by dedicated inference algorithms [
        <xref ref-type="bibr" rid="ref18">18</xref>
        ], possibly leading to interval-valued outputs instead of
sharp estimates. Those intervals reflect the well-known partial identifiability of counterfactual
queries in SCMs [19].
      </p>
      <p>
        Like the bounding of counterfactual queries [20], exact CN inference is a hard task [21]. As
an alternative to approximate CN inference algorithms [22, 23], there are approaches proposed
explicitly for the bounding of counterfactual queries based on sampling [
        <xref ref-type="bibr" rid="ref16">16</xref>
        ], polynomial
programming [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ], and linear programming [24]. Here we focus on the expectation maximisation
(EM) solution presented in [20], which provides good inner approximations in relatively short
execution times with credibility guarantees [25].
      </p>
      <p>
        The last challenge that remains is the identification of the causal graph  with a complete
specification of the confounders (i.e., common exogenous causes) [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ]. For this task, we plan
to use partial ancestral graphs (PAGs) [26, 27], which are a type of graphical model used to
represent the causal connectivity among endogenous variables when the causal relations and the
presence of confounders are only partially known.
      </p>
      <p>In a PAG, directed edges encode so-called ancestral relations between endogenous variables.
Specifically, an edge from  to ′ marks the existence of a causal path from  to ′ (possibly
mediated by some unknown exogenous variables) and excludes the possibility of ′ to be a cause
of . A bi-directed edge  ↔ ′ excludes that both  is a cause of ′ and ′ is a cause of ,
which means that it must exist some latent common variable explaining the correlation between
 and ′. Circles on the edges mark uncertainty regarding the existence of a causal dependence,
i.e.,  ⊸ ′ indicates that we do not definitively know whether there is a causal path from  to
′ or not. Finally, directed edges labelled by  mark a direct causal dependence that excludes
the presence of possible confounders [28].</p>
      <p>The significant advantage of PAGs is that they can be learned directly from data via standard
structural learning algorithms [29, 30, 31]. In contrast, the learning of causal directed graphs
is a much more challenging task and typically necessitates substantial assumptions about the
causal-generating mechanism beyond the available data [32]. However, PAGs are less informative
than standard causal diagrams since they encompass uncertainties in both edge orientations and
the presence of confounders. Specifically, a PAG corresponds to an equivalence class of causal
graphs, with each graph representing a distinct causal-generating mechanism compatible with
the available endogenous information (see, Fig. 2). To obtain a causal graph from a PAG, we
can then proceed by selecting one of the graphs in the equivalence class using domain-specific
background knowledge.</p>
      <p>1
1</p>
      <p>3
2
(b)

2
1
1</p>
      <p>3
2  
1</p>
      <p>3
(a)
2
(c)

1
1</p>
      <p>3
2
(d)

2</p>
    </sec>
    <sec id="sec-2">
      <title>2. The MaLESCaMo XAI Procedure</title>
      <p>The ideas sketched in the previous section are the basis for defining a complete XAI procedure to
extract genuinely causal CEs based on a query , an instance of the features , and minimal access
to expert domain knowledge. The procedure is articulated in several distinct steps, graphically
outlined in Fig. 3 and described below.</p>
      <p>• The procedure is model-agnostic and the training of  is obtained from the supervised
data , through any (supervised) machine learning (ML) algorithm.
• The procedure is local aiming to explain a single test instance  of the features. A synthetic
neighbourhood  of  is generated by perturbing the input space locally on  and then
selecting the instances whose distance  from  is lower than a threshold  * . The distance
 can be a standard metric (e.g., Hamming) or some ad-hoc distance functions considered
suitable for the application. Similarly, the choice of  * is up to the user, depending on the
specific application context.
• The instances of the features in the neighbourhood  are automatically annotated by
, .</p>
      <p>using  as an oracle. The resulting annotated dataset is denoted as 
• If the number of features is too high to be tractable and explainable in our setup, the
, can be reduced by applying standard feature
dimensionality of the instances in 
selection (FS) methods. The resulting dataset is denoted as ˜, .
• Structural learning (SL) algorithms, such as [31], infer the PAG PAG over (,  ) from
the dataset ˜′, .
• Domain knowledge (DK) in the form of a knowledge base or a human expert is required
to select a causal directed graph  in the equivalence class of PAG.
• The structural equations (SEs) of the surrogate SCM based on  can be also based on</p>
      <p>DK. Alternatively, the conservative approach above described should be considered.
• Finally, the EM procedure of [20], already embedded in a software library for causal
inference [33], can be used to answer the causal query .</p>
      <p>,</p>
      <p>ML 
  ,  *


, FS ˜ , SL

PAG</p>
      <p>DK SE
s
SCM</p>
      <p>EM</p>
      <p>CE</p>
    </sec>
    <sec id="sec-3">
      <title>Acknowledgments</title>
      <p>The research in this paper has been supported by the Hasler Foundation grant No. 22050.
Models, volume 138 of PMLR, JMLR.org, 2020, pp. 613–616.
[19] I. Shpitser, J. Pearl, What counterfactuals can be tested, in: Proceedings of the Twenty-Third</p>
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of the WHY-21 NeurIPS Workshop, 2021.
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networks: new complexity results, Journal of Artificial Intelligence Research 50 (2014)
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[22] A. Antonucci, Y. Sun, C. de Campos, M. Zaffalon, Generalized loopy 2U: A new
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    </sec>
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