Agathe Fernandes Machado

Agathe Fernandes Machado, Arthur Charpentier, Emmanuel Flachaire et al.

In binary classification tasks, accurate representation of probabilistic predictions is essential for various real-world applications such as predicting payment defaults or assessing medical risks. The model must then be well-calibrated to ensure alignment between predicted probabilities and actual outcomes. However, when score heterogeneity deviates from the underlying data probability distribution, traditional calibration metrics lose reliability, failing to align score distribution with actual probabilities. In this study, we highlight approaches that prioritize optimizing the alignment between predicted scores and true probability distributions over minimizing traditional performance or calibration metrics. When employing tree-based models such as Random Forest and XGBoost, our analysis emphasizes the flexibility these models offer in tuning hyperparameters to minimize the Kullback-Leibler (KL) divergence between predicted and true distributions. Through extensive empirical analysis across 10 UCI datasets and simulations, we demonstrate that optimizing tree-based models based on KL divergence yields superior alignment between predicted scores and actual probabilities without significant performance loss. In real-world scenarios, the reference probability is determined a priori as a Beta distribution estimated through maximum likelihood. Conversely, minimizing traditional calibration metrics may lead to suboptimal results, characterized by notable performance declines and inferior KL values. Our findings reveal limitations in traditional calibration metrics, which could undermine the reliability of predictive models for critical decision-making.

Agathe Fernandes Machado, Arthur Charpentier, Ewen Gallic

In this paper, we link two existing approaches to derive counterfactuals: adaptations based on a causal graph, and optimal transport. We extend "Knothe's rearrangement" and "triangular transport" to probabilistic graphical models, and use this counterfactual approach, referred to as sequential transport, to discuss fairness at the individual level. After establishing the theoretical foundations of the proposed method, we demonstrate its application through numerical experiments on both synthetic and real datasets.

Agathe Fernandes Machado, Suzie Grondin, Philipp Ratz et al.

Algorithmic fairness has received considerable attention due to the failures of various predictive AI systems that have been found to be unfairly biased against subgroups of the population. Many approaches have been proposed to mitigate such biases in predictive systems, however, they often struggle to provide accurate estimates and transparent correction mechanisms in the case where multiple sensitive variables, such as a combination of gender and race, are involved. This paper introduces a new open source Python package, EquiPy, which provides a easy-to-use and model agnostic toolbox for efficiently achieving fairness across multiple sensitive variables. It also offers comprehensive graphic utilities to enable the user to interpret the influence of each sensitive variable within a global context. EquiPy makes use of theoretical results that allow the complexity arising from the use of multiple variables to be broken down into easier-to-solve sub-problems. We demonstrate the ease of use for both mitigation and interpretation on publicly available data derived from the US Census and provide sample code for its use.

Agathe Fernandes Machado, François Hu, Philipp Ratz et al.

Driven by an increasing prevalence of trackers, ever more IoT sensors, and the declining cost of computing power, geospatial information has come to play a pivotal role in contemporary predictive models. While enhancing prognostic performance, geospatial data also has the potential to perpetuate many historical socio-economic patterns, raising concerns about a resurgence of biases and exclusionary practices, with their disproportionate impacts on society. Addressing this, our paper emphasizes the crucial need to identify and rectify such biases and calibration errors in predictive models, particularly as algorithms become more intricate and less interpretable. The increasing granularity of geospatial information further introduces ethical concerns, as choosing different geographical scales may exacerbate disparities akin to redlining and exclusionary zoning. To address these issues, we propose a toolkit for identifying and mitigating biases arising from geospatial data. Extending classical fairness definitions, we incorporate an ordinal regression case with spatial attributes, deviating from the binary classification focus. This extension allows us to gauge disparities stemming from data aggregation levels and advocates for a less interfering correction approach. Illustrating our methodology using a Parisian real estate dataset, we showcase practical applications and scrutinize the implications of choosing geographical aggregation levels for fairness and calibration measures.

Marouane Il Idrissi, Agathe Fernandes Machado, Arthur Charpentier

Cooperative game theory has become a cornerstone of post-hoc interpretability in machine learning, largely through the use of Shapley values. Yet, despite their widespread adoption, Shapley-based methods often rest on axiomatic justifications whose relevance to feature attribution remains debatable. In this paper, we revisit cooperative game theory from an interpretability perspective and argue for a broader and more principled use of its tools. We highlight two general families of efficient allocations, the Weber and Harsanyi sets, that extend beyond Shapley values and offer richer interpretative flexibility. We present an accessible overview of these allocation schemes, clarify the distinction between value functions and aggregation rules, and introduce a three-step blueprint for constructing reliable and theoretically-grounded feature attributions. Our goal is to move beyond fixed axioms and provide the XAI community with a coherent framework to design attribution methods that are both meaningful and robust to shifting methodological trends.

Agathe Fernandes Machado, Arthur Charpentier, Ewen Gallic

Recently, optimal transport-based approaches have gained attention for deriving counterfactuals, e.g., to quantify algorithmic discrimination. However, in the general multivariate setting, these methods are often opaque and difficult to interpret. To address this, alternative methodologies have been proposed, using causal graphs combined with iterative quantile regressions (Plečko and Meinshausen (2020)) or sequential transport (Fernandes Machado et al. (2025)) to examine fairness at the individual level, often referred to as ``counterfactual fairness.'' Despite these advancements, transporting categorical variables remains a significant challenge in practical applications with real datasets. In this paper, we propose a novel approach to address this issue. Our method involves (1) converting categorical variables into compositional data and (2) transporting these compositions within the probabilistic simplex of $\mathbb{R}^d$. We demonstrate the applicability and effectiveness of this approach through an illustration on real-world data, and discuss limitations.

Marouane Il Idrissi, Agathe Fernandes Machado, Ewen Gallic et al.

Cooperative game theory methods, notably Shapley values, have significantly enhanced machine learning (ML) interpretability. However, existing explainable AI (XAI) frameworks mainly attribute average model predictions, overlooking predictive uncertainty. This work addresses that gap by proposing a novel, model-agnostic uncertainty attribution (UA) method grounded in conformal prediction (CP). By defining cooperative games where CP interval properties-such as width and bounds-serve as value functions, we systematically attribute predictive uncertainty to input features. Extending beyond the traditional Shapley values, we use the richer class of Harsanyi allocations, and in particular the proportional Shapley values, which distribute attribution proportionally to feature importance. We propose a Monte Carlo approximation method with robust statistical guarantees to address computational feasibility, significantly improving runtime efficiency. Our comprehensive experiments on synthetic benchmarks and real-world datasets demonstrate the practical utility and interpretative depth of our approach. By combining cooperative game theory and conformal prediction, we offer a rigorous, flexible toolkit for understanding and communicating predictive uncertainty in high-stakes ML applications.

Agathe Fernandes Machado, Arthur Charpentier, Emmanuel Flachaire et al.

The assessment of binary classifier performance traditionally centers on discriminative ability using metrics, such as accuracy. However, these metrics often disregard the model's inherent uncertainty, especially when dealing with sensitive decision-making domains, such as finance or healthcare. Given that model-predicted scores are commonly seen as event probabilities, calibration is crucial for accurate interpretation. In our study, we analyze the sensitivity of various calibration measures to score distortions and introduce a refined metric, the Local Calibration Score. Comparing recalibration methods, we advocate for local regressions, emphasizing their dual role as effective recalibration tools and facilitators of smoother visualizations. We apply these findings in a real-world scenario using Random Forest classifier and regressor to predict credit default while simultaneously measuring calibration during performance optimization.

Arthur Charpentier, Agathe Fernandes Machado, Olivier Côté et al.

Many fairness goals are defined at a population level that misaligns with siloed data collection, which remains unsharable due to privacy regulations. Horizontal federated learning (FL) enables collaborative modeling across clients with aligned features without sharing raw data. We study federated auditing of demographic parity through score distributions, measuring disparity as a Wasserstein--Frechet variance between sensitive-group score laws, and expressing the population metric in federated form that makes explicit how silo-specific selection drives local-global mismatch. For the squared Wasserstein distance, we prove an ANOVA-style decomposition that separates (i) selection-induced mixture effects from (ii) cross-silo heterogeneity, yielding tight bounds linking local and global metrics. We then propose a one-shot, communication-efficient protocol in which each silo shares only group counts and a quantile summary of its local score distributions, enabling the server to estimate global disparity and its decomposition, with $O(1/k)$ discretization bias ($k$ quantiles) and finite-sample guarantees. Experiments on synthetic data and COMPAS show that a few dozen quantiles suffice to recover global disparity and diagnose its sources.