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  <front>
    <journal-meta>
      <issn pub-type="ppub">1613-0073</issn>
    </journal-meta>
    <article-meta>
      <title-group>
        <article-title>Data Point Interactions: A Dual Representation Approach for Enhanced Machine Learning</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Mohamed Karim Belaid</string-name>
          <email>karim.belaid@idiada.com</email>
          <xref ref-type="aff" rid="aff0">0</xref>
          <xref ref-type="aff" rid="aff1">1</xref>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Workshop</string-name>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Dr. Ing. h.c. F. Porsche AG</institution>
          ,
          <addr-line>Stuttgart</addr-line>
          ,
          <country country="DE">Germany</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>IDIADA Fahrzeugtechnik GmbH</institution>
          ,
          <addr-line>Munich</addr-line>
          ,
          <country country="DE">Germany</country>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>Supervised learning</institution>
          ,
          <addr-line>Meta-learning, Data Interaction, Explainable AI</addr-line>
        </aff>
      </contrib-group>
      <pub-date>
        <year>2024</year>
      </pub-date>
      <fpage>14</fpage>
      <lpage>16</lpage>
      <abstract>
        <p>In recent years, Explainable Artificial Intelligence (XAI) has attracted significant attention due to the growing complexity and opacity of ML models. While traditional XAI tools have focused on feature interaction analysis, there is a gap in understanding data point interactions and their impact on model performance. This research addresses this gap by studying data point interactions in ML models, specifically KNN, and proposing novel algorithms to enhance prediction performance.</p>
      </abstract>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Related</title>
    </sec>
    <sec id="sec-2">
      <title>Work</title>
      <p>
        Existing literature in XAI has extensively explored feature interactions, providing insights into how
diferent features contribute to model predictions. Previous works, such as Ribeiro et al.’s LIME [
        <xref ref-type="bibr" rid="ref4">4</xref>
        ] and
Lundberg and Lee’s SHAP [
        <xref ref-type="bibr" rid="ref5">5</xref>
        ], have laid the groundwork for feature-based explanations, leading to
mature research literature in the field of feature interaction [
        <xref ref-type="bibr" rid="ref6 ref7 ref8 ref9">6, 7, 8, 9</xref>
        ]. But the domain of data valuation
remains relatively unexplored, besides recent pioneer works using approximation [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ] or model specific
[
        <xref ref-type="bibr" rid="ref11">11</xref>
        ] explanations. Moreover, the interaction between data points themselves has not been thoroughly
investigated.
points [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ].
      </p>
      <p>
        Tynes et al. introduced pairwise diference regressor [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ], a novel meta-learner for chemical tasks
that enhances prediction performance, compared to random forest and provides robust uncertainty
quantification. In computational chemistry, estimating diferences between data points helps mitigate
systematic errors [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ]. In parallel, Wetzel et al. used twin neural network architectures for
semisupervised regression tasks, focusing on predicting diferences between target values of distinct data
      </p>
    </sec>
    <sec id="sec-3">
      <title>2. Research Questions and Challenges</title>
      <sec id="sec-3-1">
        <title>2.0.1. RQ.1: How do diferent XAI methods, especially data-based, perform in terms of interpretability, accuracy, and computational eficiency?</title>
        <p>We question the maturity and usability of explanation methods for the data science community. The
abundance of xAI algorithms can be overwhelming, making it hard for practitioners to select the right
one for their needs. The difering requirements and implementations of xAI algorithms pose challenges
for data scientists in accurately evaluating them and staying current with their development. This</p>
        <p>CEUR</p>
        <p>
          ceur-ws.org
issue manifests as the illusion of explanatory depth [
          <xref ref-type="bibr" rid="ref14">14</xref>
          ] in interpreting xAI results [
          <xref ref-type="bibr" rid="ref15">15</xref>
          ], with evidence
showing that data scientists often misuse interpretability tools [ 16].
        </p>
      </sec>
      <sec id="sec-3-2">
        <title>2.0.2. RQ.2: How can we accurately quantify data point interactions within trained ML models?</title>
        <p>Existing literature primarily focuses on feature interactions, lacking methodologies for evaluating
data point interactions. How do data points interact in forming patterns? How can we measure this
interaction? And how can we leverage this explanation to improve the ML pipeline?</p>
      </sec>
      <sec id="sec-3-3">
        <title>2.0.3. RQ.3: Can data point interactions be leveraged to enhance the performance of ML classifiers?</title>
        <p>Exploring whether understanding data point interactions can lead to improved model accuracy and
robustness. How can we design and implement algorithms that utilize data point interactions for
prediction tasks? Developing and evaluating algorithms that incorporate data point interactions in
their predictive mechanisms.</p>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>3. Method and Evaluation</title>
      <p>3.0.1. RQ.1
Given the unsolved burden of evaluating and correctly choosing xAI algorithms, we propose
ComparexAI that mitigates two issues: non-unified benchmark for xAI algorithms and the illusion of explanatory
depth during the interpretation of results. Compare-xAI emerges as a unique and valuable benchmark.
Its distinct contributions lie in its simplicity, scalability, ability to integrate any dataset and ML model,
and, most importantly, its focus on the user’s expected explanation. By addressing the pitfalls
highlighted in surveys of xAI algorithms through concrete functional tests, Compare-xAI provides a robust
evaluation framework.
3.0.2. RQ.2
3.0.3. RQ.3
We propose, STI-KNN, the first algorithm that calculates the exact pair-interaction Shapley values in
 ( 2) rather than  (2  ). STI-KNN is the first algorithm that allows studying the exact interaction on
large real-world datasets. This research is the first to consider two disjoint fields: Data valuation and
Interaction in Explainable AI. Finally, we study various cases of positive and negative data interactions
using STI-KNN.</p>
      <p>Leveraging the concept of data point interactions, we introduce the Pairwise Diference Learning (PDL)
Classifier. This classifier employs a dual representation of the ML task, achieving better prediction
performance by integrating pair interaction data, see Figure 1. The empirical evaluation contains 99
diverse datasets, times 25 CV repetitions. We use the macro F1 metric.</p>
    </sec>
    <sec id="sec-5">
      <title>4. Preliminary Results</title>
      <p>4.0.1. RQ.1
With 15 post-hoc xAI algorithms, 25 tests, and 50 research papers indexed, Compare-xAI ofers a unified
benchmark that accurately reproduces experiments. Through a rigorous selection protocol, it highlights
the contrast between theoretical foundations and practical implementations, making the limitations of
each method transparent. Compare-xAI uses an intuitive scoring method to absorb the vast quantity of
xAI-related papers and reduce human errors in interpreting xAI outputs. Its goal is to unify post-hoc
xAI evaluation methods into a multi-dimensional benchmark, providing insights into the strengths and
weaknesses of diferent approaches. Link: https://karim-53.github.io/cxai/
4.0.2. RQ.2
Thanks to the STI-KNN algorithm, the data interaction can quickly be visualized using a heatmap
of the Shapley interaction values. The matrix shows an example of interaction. We observe, first, a
contrast between in-class and out-of-class interactions, second, a reduction in interaction due to data
redundancy, and third, an unusual pattern when data contains outliers.
4.0.3. RQ.3
Our benchmark demonstrates that PDL consistently outperforms state-of-the-art ML models, resulting in
improved F1 scores in a majority of cases. This highlights PDL’s efectiveness in enhancing performance
over baseline methods, facilitated through its straightforward integration via our Python package. Link:
https://github.com/Karim-53/pdll</p>
    </sec>
    <sec id="sec-6">
      <title>5. Intermediary Conclusions</title>
      <p>
        Our research indicates that data point interactions play a crucial role in the performance of ML models.
By shifting the focus from feature interactions to data interactions, we have opened up new avenues
for enhancing model interpretability and accuracy. For more detailed results, refer to the following
papers[
        <xref ref-type="bibr" rid="ref1 ref2 ref3">1, 2, 3</xref>
        ].
      </p>
    </sec>
    <sec id="sec-7">
      <title>6. Planned Next Steps</title>
      <p>Confirming the eficiency of the PDL algorithm by studying its calibration and uncertainty estimation.
By continuing to explore the interactions between data points, we hope to contribute significantly to
the field of xAI and ML, ultimately leading to more transparent, accurate, and robust models.
of explanatory depth in explainable ai, in: 26th International Conference on Intelligent User
Interfaces, 2021, pp. 307–317.
[16] H. Kaur, H. Nori, S. Jenkins, R. Caruana, H. Wallach, J. Wortman Vaughan, Interpreting
interpretability: understanding data scientists’ use of interpretability tools for machine learning, in:
Proceedings of the 2020 CHI conference on human factors in computing systems, 2020, pp. 1–14.</p>
    </sec>
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