20.0AIApr 15
Interpretable and Explainable Surrogate Modeling for Simulations: A State-of-the-Art Survey and Perspectives on Explainable AI for Decision-MakingPramudita 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.
16.9LGMar 25
IPatch: A Multi-Resolution Transformer Architecture for Robust Time-Series ForecastingAymane 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.
CLFeb 10
AmharicIR+Instr: A Two-Dataset Resource for Neural Retrieval and Instruction TuningTilahun Yeshambel, Moncef Garouani, Josiane Mothe
Neural retrieval and GPT-style generative models rely on large, high-quality supervised data, which is still scarce for low-resource languages such as Amharic. We release an Amharic data resource consisting of two datasets that supports research on (i) neural retrieval-ranking and (ii) instruction-following text generation. The retrieval-ranking dataset contains 1,091 manually verified query-positive-negative document triplets drawn from diverse Amharic sources and constructed to support contrastive training and benchmarking of neural retrievers (e.g., DPR, ColBERT-style late interaction and SPLADE-style sparse neural retrieval). Triplets are created through a combination of expert-curated queries, web-derived queries, and LLM-assisted generation, with positive/negative documents selected from the web or synthesized by LLMs and then validated by native speakers. The instruction prompt-response dataset comprises 6,285 Amharic prompt-response pairs spanning multiple domains and instruction types, generated with several LLMs and refined through manual review and correction for grammaticality, relevance, fluency, and factual plausibility. We release both datasets with standardized splits and formats (CSV,JSON,JSONL) to enable reproducible work on Amharic retrieval, ranking, and generative modelling. These datasets also come with a methodology that can be generalized to other low-resource languages.
LGJan 30
Analyzing Shapley Additive Explanations to Understand Anomaly Detection Algorithm Behaviors and Their ComplementarityJordan Levy, Paul Saves, Moncef Garouani et al.
Unsupervised anomaly detection is a challenging problem due to the diversity of data distributions and the lack of labels. Ensemble methods are often adopted to mitigate these challenges by combining multiple detectors, which can reduce individual biases and increase robustness. Yet building an ensemble that is genuinely complementary remains challenging, since many detectors rely on similar decision cues and end up producing redundant anomaly scores. As a result, the potential of ensemble learning is often limited by the difficulty of identifying models that truly capture different types of irregularities. To address this, we propose a methodology for characterizing anomaly detectors through their decision mechanisms. Using SHapley Additive exPlanations, we quantify how each model attributes importance to input features, and we use these attribution profiles to measure similarity between detectors. We show that detectors with similar explanations tend to produce correlated anomaly scores and identify largely overlapping anomalies. Conversely, explanation divergence reliably indicates complementary detection behavior. Our results demonstrate that explanation-driven metrics offer a different criterion than raw outputs for selecting models in an ensemble. However, we also demonstrate that diversity alone is insufficient; high individual model performance remains a prerequisite for effective ensembles. By explicitly targeting explanation diversity while maintaining model quality, we are able to construct ensembles that are more diverse, more complementary, and ultimately more effective for unsupervised anomaly detection.
IRFeb 12
Improving Neural Retrieval with Attribution-Guided Query RewritingMoncef Garouani, Josiane Mothe
Neural retrievers are effective but brittle: underspecified or ambiguous queries can misdirect ranking even when relevant documents exist. Existing approaches address this brittleness only partially: LLMs rewrite queries without retriever feedback, and explainability methods identify misleading tokens but are used for post-hoc analysis. We close this loop and propose an attribution-guided query rewriting method that uses token-level explanations to guide query rewriting. For each query, we compute gradient-based token attributions from the retriever and then use these scores as soft guidance in a structured prompt to an LLM that clarifies weak or misleading query components while preserving intent. Evaluated on BEIR collections, the resulting rewrites consistently improve retrieval effectiveness over strong baselines, with larger gains for implicit or ambiguous information needs.
LGDec 22, 2025
From Black-Box Tuning to Guided Optimization via Hyperparameters Interaction AnalysisMoncef Garouani, Ayah Barhrhouj
Hyperparameters tuning is a fundamental, yet computationally expensive, step in optimizing machine learning models. Beyond optimization, understanding the relative importance and interaction of hyperparameters is critical to efficient model development. In this paper, we introduce MetaSHAP, a scalable semi-automated eXplainable AI (XAI) method, that uses meta-learning and Shapley values analysis to provide actionable and dataset-aware tuning insights. MetaSHAP operates over a vast benchmark of over 09 millions evaluated machine learning pipelines, allowing it to produce interpretable importance scores and actionable tuning insights that reveal how much each hyperparameter matters, how it interacts with others and in which value ranges its influence is concentrated. For a given algorithm and dataset, MetaSHAP learns a surrogate performance model from historical configurations, computes hyperparameters interactions using SHAP-based analysis, and derives interpretable tuning ranges from the most influential hyperparameters. This allows practitioners not only to prioritize which hyperparameters to tune, but also to understand their directionality and interactions. We empirically validate MetaSHAP on a diverse benchmark of 164 classification datasets and 14 classifiers, demonstrating that it produces reliable importance rankings and competitive performance when used to guide Bayesian optimization.
CVJul 21, 2025Code
GeMix: Conditional GAN-Based Mixup for Improved Medical Image AugmentationHugo Carlesso, Maria Eliza Patulea, Moncef Garouani et al.
Mixup has become a popular augmentation strategy for image classification, yet its naive pixel-wise interpolation often produces unrealistic images that can hinder learning, particularly in high-stakes medical applications. We propose GeMix, a two-stage framework that replaces heuristic blending with a learned, label-aware interpolation powered by class-conditional GANs. First, a StyleGAN2-ADA generator is trained on the target dataset. During augmentation, we sample two label vectors from Dirichlet priors biased toward different classes and blend them via a Beta-distributed coefficient. Then, we condition the generator on this soft label to synthesize visually coherent images that lie along a continuous class manifold. We benchmark GeMix on the large-scale COVIDx-CT-3 dataset using three backbones (ResNet-50, ResNet-101, EfficientNet-B0). When combined with real data, our method increases macro-F1 over traditional mixup for all backbones, reducing the false negative rate for COVID-19 detection. GeMix is thus a drop-in replacement for pixel-space mixup, delivering stronger regularization and greater semantic fidelity, without disrupting existing training pipelines. We publicly release our code at https://github.com/hugocarlesso/GeMix to foster reproducibility and further research.
LGMar 27, 2025
Investigating the Duality of Interpretability and Explainability in Machine LearningMoncef 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.
LGApr 8, 2025
An experimental survey and Perspective View on Meta-Learning for Automated Algorithms Selection and ParametrizationMoncef Garouani
Considerable progress has been made in the recent literature studies to tackle the Algorithms Selection and Parametrization (ASP) problem, which is diversified in multiple meta-learning setups. Yet there is a lack of surveys and comparative evaluations that critically analyze, summarize and assess the performance of existing methods. In this paper, we provide an overview of the state of the art in this continuously evolving field. The survey sheds light on the motivational reasons for pursuing classifiers selection through meta-learning. In this regard, Automated Machine Learning (AutoML) is usually treated as an ASP problem under the umbrella of the democratization of machine learning. Accordingly, AutoML makes machine learning techniques accessible to domain scientists who are interested in applying advanced analytics but lack the required expertise. It can ease the task of manually selecting ML algorithms and tuning related hyperparameters. We comprehensively discuss the different phases of classifiers selection based on a generic framework that is formed as an outcome of reviewing prior works. Subsequently, we propose a benchmark knowledge base of 4 millions previously learned models and present extensive comparative evaluations of the prominent methods for classifiers selection based on 08 classification algorithms and 400 benchmark datasets. The comparative study quantitatively assesses the performance of algorithms selection methods along while emphasizing the strengths and limitations of existing studies.
AIOct 19, 2025
Surrogate Modeling and Explainable Artificial Intelligence for Complex Systems: A Workflow for Automated Simulation ExplorationPaul 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.
LGJul 23, 2025
XStacking: Explanation-Guided Stacked Ensemble LearningMoncef Garouani, Ayah Barhrhouj, Olivier Teste
Ensemble Machine Learning (EML) techniques, especially stacking, have been shown to improve predictive performance by combining multiple base models. However, they are often criticized for their lack of interpretability. In this paper, we introduce XStacking, an effective and inherently explainable framework that addresses this limitation by integrating dynamic feature transformation with model-agnostic Shapley additive explanations. This enables stacked models to retain their predictive accuracy while becoming inherently explainable. We demonstrate the effectiveness of the framework on 29 datasets, achieving improvements in both the predictive effectiveness of the learning space and the interpretability of the resulting models. XStacking offers a practical and scalable solution for responsible ML.
LGMar 27, 2025
Model Lake: a New Alternative for Machine Learning Models Management and GovernanceMoncef Garouani, Franck Ravat, Nathalie Valles-Parlangeau
The rise of artificial intelligence and data science across industries underscores the pressing need for effective management and governance of machine learning (ML) models. Traditional approaches to ML models management often involve disparate storage systems and lack standardized methodologies for versioning, audit, and re-use. Inspired by data lake concepts, this paper develops the concept of ML Model Lake as a centralized management framework for datasets, codes, and models within organizations environments. We provide an in-depth exploration of the Model Lake concept, delineating its architectural foundations, key components, operational benefits, and practical challenges. We discuss the transformative potential of adopting a Model Lake approach, such as enhanced model lifecycle management, discovery, audit, and reusability. Furthermore, we illustrate a real-world application of Model Lake and its transformative impact on data, code and model management practices.
CVMar 5
Fusion-CAM: Integrating Gradient and Region-Based Class Activation Maps for Robust Visual ExplanationsHajar Dekdegue, Moncef Garouani, Josiane Mothe et al.
Interpreting the decision-making process of deep convolutional neural networks remains a central challenge in achieving trustworthy and transparent artificial intelligence. Explainable AI (XAI) techniques, particularly Class Activation Map (CAM) methods, are widely adopted to visualize the input regions influencing model predictions. Gradient-based approaches (e.g. Grad-CAM) provide highly discriminative, fine-grained details by computing gradients of class activations but often yield noisy and incomplete maps that emphasize only the most salient regions rather than the complete objects. Region-based approaches (e.g. Score-CAM) aggregate information over larger areas, capturing broader object coverage at the cost of over-smoothing and reduced sensitivity to subtle features. We introduce Fusion-CAM, a novel framework that bridges this explanatory gap by unifying both paradigms through a dedicated fusion mechanism to produce robust and highly discriminative visual explanations. Our method first denoises gradient-based maps, yielding cleaner and more focused activations. It then combines the refined gradient map with region-based maps using contribution weights to enhance class coverage. Finally, we propose an adaptive similarity-based pixel-level fusion that evaluates the agreement between both paradigms and dynamically adjusts the fusion strength. This adaptive mechanism reinforces consistent activations while softly blending conflicting regions, resulting in richer, context-aware, and input-adaptive visual explanations. Extensive experiments on standard benchmarks show that Fusion-CAM consistently outperforms existing CAM variants in both qualitative visualization and quantitative evaluation, providing a robust and flexible tool for interpreting deep neural networks.
IRApr 1, 2025
Uncovering the Limitations of Query Performance Prediction: Failures, Insights, and Implications for Selective Query ProcessingAdrian-Gabriel Chifu, Sébastien Déjean, Josiane Mothe et al.
Query Performance Prediction (QPP) estimates retrieval systems effectiveness for a given query, offering valuable insights for search effectiveness and query processing. Despite extensive research, QPPs face critical challenges in generalizing across diverse retrieval paradigms and collections. This paper provides a comprehensive evaluation of state-of-the-art QPPs (e.g. NQC, UQC), LETOR-based features, and newly explored dense-based predictors. Using diverse sparse rankers (BM25, DFree without and with query expansion) and hybrid or dense (SPLADE and ColBert) rankers and diverse test collections ROBUST, GOV2, WT10G, and MS MARCO; we investigate the relationships between predicted and actual performance, with a focus on generalization and robustness. Results show significant variability in predictors accuracy, with collections as the main factor and rankers next. Some sparse predictors perform somehow on some collections (TREC ROBUST and GOV2) but do not generalise to other collections (WT10G and MS-MARCO). While some predictors show promise in specific scenarios, their overall limitations constrain their utility for applications. We show that QPP-driven selective query processing offers only marginal gains, emphasizing the need for improved predictors that generalize across collections, align with dense retrieval architectures and are useful for downstream applications.
IRMar 24, 2025
Dense Retrieval for Low Resource Languages -- the Case of Amharic LanguageTilahun Yeshambel, Moncef Garouani, Serge Molina et al.
This paper reports some difficulties and some results when using dense retrievers on Amharic, one of the low-resource languages spoken by 120 millions populations. The efforts put and difficulties faced by University Addis Ababa toward Amharic Information Retrieval will be developed during the presentation.