Julien Aligon

Robin Cugny, Julien Aligon, Max Chevalier et al.

In recent years, a large number of XAI (eXplainable Artificial Intelligence) solutions have been proposed to explain existing ML (Machine Learning) models or to create interpretable ML models. Evaluation measures have recently been proposed and it is now possible to compare these XAI solutions. However, selecting the most relevant XAI solution among all this diversity is still a tedious task, especially when meeting specific needs and constraints. In this paper, we propose AutoXAI, a framework that recommends the best XAI solution and its hyperparameters according to specific XAI evaluation metrics while considering the user's context (dataset, ML model, XAI needs and constraints). It adapts approaches from context-aware recommender systems and strategies of optimization and evaluation from AutoML (Automated Machine Learning). We apply AutoXAI to two use cases, and show that it recommends XAI solutions adapted to the user's needs with the best hyperparameters matching the user's constraints.

Pramudita Satria Palar, Paul Saves, Muhammad Daffa Robani et al.

The simulation of complex systems increasingly relies on sophisticated but fundamentally opaque computational black-box simulators. Surrogate models play a central role in reducing the computational cost of complex systems simulations across a wide range of scientific and engineering domains. Notwithstanding, they inevitably inherit and often exacerbate this black-box nature, obscuring how input variables drive physical responses. Conversely, Explainable Artificial Intelligence (XAI) offers powerful tools to unpack these models. Yet, XAI methods struggle with engineering-specific constraints, such as highly correlated inputs, dynamical systems, and rigorous reliability requirements. Consequently, surrogate modeling and XAI have largely evolved as distinct fields of research, despite their strong complementarity. To reconnect these approaches, this state-of-the-art survey provides a structured perspective that maps existing XAI techniques onto the various stages of surrogate modeling workflows for design and exploration. To ground this synthesis, we draw upon illustrative applications across both equation-based simulations and agent-based modeling. We survey a broad spectrum of techniques, highlighting their strengths for revealing interactions and supporting human comprehension. Finally, we identify pressing open challenges, including the explainability of dynamical systems and the handling of mixed-variable systems, and propose a research agenda to make explainability a core, embedded element of simulation-driven workflows from model construction through decision-making. By transforming opaque emulators into explainable tools, this agenda empowers practitioners to move beyond accelerating simulations to extracting actionable insights from complex system behaviors.

Aymane Harkati, Moncef Garouani, Olivier Teste et al.

Accurate forecasting of multivariate time series remains challenging due to the need to capture both short-term fluctuations and long-range temporal dependencies. Transformer-based models have emerged as a powerful approach, but their performance depends critically on the representation of temporal data. Traditional point-wise representations preserve individual time-step information, enabling fine-grained modeling, yet they tend to be computationally expensive and less effective at modeling broader contextual dependencies, limiting their scalability to long sequences. Patch-wise representations aggregate consecutive steps into compact tokens to improve efficiency and model local temporal dynamics, but they often discard fine-grained temporal details that are critical for accurate predictions in volatile or complex time series. We propose IPatch, a multi-resolution Transformer architecture that integrates both point-wise and patch-wise tokens, modeling temporal information at multiple resolutions. Experiments on 7 benchmark datasets demonstrate that IPatch consistently improves forecasting accuracy, robustness to noise, and generalization across various prediction horizons compared to single-representation baselines.

Moncef Garouani, Josiane Mothe, Ayah Barhrhouj et al.

The rapid evolution of machine learning (ML) has led to the widespread adoption of complex "black box" models, such as deep neural networks and ensemble methods. These models exhibit exceptional predictive performance, making them invaluable for critical decision-making across diverse domains within society. However, their inherently opaque nature raises concerns about transparency and interpretability, making them untrustworthy decision support systems. To alleviate such a barrier to high-stakes adoption, research community focus has been on developing methods to explain black box models as a means to address the challenges they pose. Efforts are focused on explaining these models instead of developing ones that are inherently interpretable. Designing inherently interpretable models from the outset, however, can pave the path towards responsible and beneficial applications in the field of ML. In this position paper, we clarify the chasm between explaining black boxes and adopting inherently interpretable models. We emphasize the imperative need for model interpretability and, following the purpose of attaining better (i.e., more effective or efficient w.r.t. predictive performance) and trustworthy predictors, provide an experimental evaluation of latest hybrid learning methods that integrates symbolic knowledge into neural network predictors. We demonstrate how interpretable hybrid models could potentially supplant black box ones in different domains.

Paul Saves, Pramudita Satria Palar, Muhammad Daffa Robani et al.

Complex systems are increasingly explored through simulation-driven engineering workflows that combine physics-based and empirical models with optimization and analytics. Despite their power, these workflows face two central obstacles: (1) high computational cost, since accurate exploration requires many expensive simulator runs; and (2) limited transparency and reliability when decisions rely on opaque blackbox components. We propose a workflow that addresses both challenges by training lightweight emulators on compact designs of experiments that (i) provide fast, low-latency approximations of expensive simulators, (ii) enable rigorous uncertainty quantification, and (iii) are adapted for global and local Explainable Artificial Intelligence (XAI) analyses. This workflow unifies every simulation-based complex-system analysis tool, ranging from engineering design to agent-based models for socio-environmental understanding. In this paper, we proposea comparative methodology and practical recommendations for using surrogate-based explainability tools within the proposed workflow. The methodology supports continuous and categorical inputs, combines global-effect and uncertainty analyses with local attribution, and evaluates the consistency of explanations across surrogate models, thereby diagnosing surrogate adequacy and guiding further data collection or model refinement. We demonstrate the approach on two contrasting case studies: a multidisciplinary design analysis of a hybrid-electric aircraft and an agent-based model of urban segregation. Results show that the surrogate model and XAI coupling enables large-scale exploration in seconds, uncovers nonlinear interactions and emergent behaviors, identifies key design and policy levers, and signals regions where surrogates require more data or alternative architectures.

Gabriel Ferrettini, Elodie Escriva, Julien Aligon et al.

As Machine Learning (ML) is now widely applied in many domains, in both research and industry, an understanding of what is happening inside the black box is becoming a growing demand, especially by non-experts of these models. Several approaches had thus been developed to provide clear insights of a model prediction for a particular observation but at the cost of long computation time or restrictive hypothesis that does not fully take into account interaction between attributes. This paper provides methods based on the detection of relevant groups of attributes -- named coalitions -- influencing a prediction and compares them with the literature. Our results show that these coalitional methods are more efficient than existing ones such as SHapley Additive exPlanation (SHAP). Computation time is shortened while preserving an acceptable accuracy of individual prediction explanations. Therefore, this enables wider practical use of explanation methods to increase trust between developed ML models, end-users, and whoever impacted by any decision where these models played a role.