Souhaib Ben Taieb

Victor Dheur, Souhaib Ben Taieb

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.

Tanguy Bosser, Souhaib Ben Taieb

Temporal Point Processes (TPPs) serve as the standard mathematical framework for modeling asynchronous event sequences in continuous time. However, classical TPP models are often constrained by strong assumptions, limiting their ability to capture complex real-world event dynamics. To overcome this limitation, researchers have proposed Neural TPPs, which leverage neural network parametrizations to offer more flexible and efficient modeling. While recent studies demonstrate the effectiveness of Neural TPPs, they often lack a unified setup, relying on different baselines, datasets, and experimental configurations. This makes it challenging to identify the key factors driving improvements in predictive accuracy, hindering research progress. To bridge this gap, we present a comprehensive large-scale experimental study that systematically evaluates the predictive accuracy of state-of-the-art neural TPP models. Our study encompasses multiple real-world and synthetic event sequence datasets, following a carefully designed unified setup. We thoroughly investigate the influence of major architectural components such as event encoding, history encoder, and decoder parametrization on both time and mark prediction tasks. Additionally, we delve into the less explored area of probabilistic calibration for neural TPP models. By analyzing our results, we draw insightful conclusions regarding the significance of history size and the impact of architectural components on predictive accuracy. Furthermore, we shed light on the miscalibration of mark distributions in neural TPP models. Our study aims to provide valuable insights into the performance and characteristics of neural TPP models, contributing to a better understanding of their strengths and limitations.

Aya Laajil, Elnura Zhalieva, Naomi Desobry et al.

The goal of probabilistic prediction is to issue predictive distributions that are as informative as possible, subject to being calibrated. Despite substantial progress in the univariate setting, achieving multivariate calibration remains challenging. Recent work has introduced pre-rank functions, scalar projections of multivariate forecasts and observations, as flexible diagnostics for assessing specific aspects of multivariate calibration, but their use has largely been limited to post-hoc evaluation. We propose a regularization-based calibration method that enforces multivariate calibration during training of multivariate distributional regression models using pre-rank functions. We further introduce a novel PCA-based pre-rank that projects predictions onto principal directions of the predictive distribution. Through simulation studies and experiments on 18 real-world multi-output regression datasets, we show that the proposed approach substantially improves multivariate pre-rank calibration without compromising predictive accuracy, and that the PCA pre-rank reveals dependence-structure misspecifications that are not detected by existing pre-ranks.

Sukanya Patra, Souhaib Ben Taieb

Industrial anomaly detection is crucial for quality control and predictive maintenance, but it presents challenges due to limited training data, diverse anomaly types, and external factors that alter object appearances. Existing methods commonly detect structural anomalies, such as dents and scratches, by leveraging multi-scale features from image patches extracted through deep pre-trained networks. However, significant memory and computational demands often limit their practical application. Additionally, detecting logical anomalies-such as images with missing or excess elements-requires an understanding of spatial relationships that traditional patch-based methods fail to capture. In this work, we address these limitations by focusing on Deep Feature Reconstruction (DFR), a memory- and compute-efficient approach for detecting structural anomalies. We further enhance DFR into a unified framework, called ULSAD, which is capable of detecting both structural and logical anomalies. Specifically, we refine the DFR training objective to improve performance in structural anomaly detection, while introducing an attention-based loss mechanism using a global autoencoder-like network to handle logical anomaly detection. Our empirical evaluation across five benchmark datasets demonstrates the performance of ULSAD in detecting and localizing both structural and logical anomalies, outperforming eight state-of-the-art methods. An extensive ablation study further highlights the contribution of each component to the overall performance improvement. Our code is available at https://github.com/sukanyapatra1997/ULSAD-2024.git

David Vallmanya Poch, Yorick Estievenart, Elnura Zhalieva et al.

Accurate dose calculations in proton therapy rely on high-quality CT images. While planning CTs (pCTs) serve as a reference for dosimetric planning, Cone Beam CT (CBCT) is used throughout Adaptive Radiotherapy (ART) to generate sCTs for improved dose calculations. Despite its lower cost and reduced radiation exposure advantages, CBCT suffers from severe artefacts and poor image quality, making it unsuitable for precise dosimetry. Deep learning-based CBCT-to-CT translation has emerged as a promising approach. Still, existing methods often introduce anatomical inconsistencies and lack reliable uncertainty estimates, limiting their clinical adoption. To bridge this gap, we propose STF-RUE, a novel framework integrating two key components. First, STF, a segmentation-guided CBCT-to-CT translation method that enhances anatomical consistency by leveraging segmentation priors extracted from pCTs. Second, RUE, a conformal prediction method that augments predicted CTs with pixel-wise conformal prediction intervals, providing clinicians with robust reliability indicator. Comprehensive experiments using UNet++ and Fast-DDPM on two benchmark datasets demonstrate that STF-RUE significantly improves translation accuracy, as measured by a novel soft-tissue-focused metric designed for precise dose computation. Additionally, STF-RUE provides better-calibrated uncertainty sets for synthetic CT, reinforcing trust in synthetic CTs. By addressing both anatomical fidelity and uncertainty quantification, STF-RUE marks a crucial step toward safer and more effective adaptive proton therapy. Code is available at https://anonymous.4open.science/r/cbct2ct_translation-B2D9/.

Sukanya Patra, Nicolas Sournac, Souhaib Ben Taieb

Concentrated Solar Power (CSP) plants store energy by heating a storage medium with an array of mirrors that focus sunlight onto solar receivers atop a central tower. Operating at high temperatures these receivers face risks such as freezing, deformation, and corrosion, leading to operational failures, downtime, or costly equipment damage. We study the problem of anomaly detection (AD) in sequences of thermal images collected over a year from an operational CSP plant. These images are captured at irregular intervals ranging from one to five minutes throughout the day by infrared cameras mounted on solar receivers. Our goal is to develop a method to extract useful representations from high-dimensional thermal images for AD. It should be able to handle temporal features of the data, which include irregularity, temporal dependency between images and non-stationarity due to a strong daily seasonal pattern. The co-occurrence of low-temperature anomalies that resemble normal images from the start and the end of the operational cycle with high-temperature anomalies poses an additional challenge. We first evaluate state-of-the-art deep image-based AD methods, which have been shown to be effective in deriving meaningful image representations for the detection of anomalies. Then, we introduce a forecasting-based AD method that predicts future thermal images from past sequences and timestamps via a deep sequence model. This method effectively captures specific temporal data features and distinguishes between difficult-to-detect temperature-based anomalies. Our experiments demonstrate the effectiveness of our approach compared to multiple SOTA baselines across multiple evaluation metrics. We have also successfully deployed our solution on five months of unseen data, providing critical insights for the maintenance of the CSP plant. Our code is available at: https://tinyurl.com/ForecastAD

Victor Dheur, Matteo Fontana, Yorick Estievenart et al.

Conformal prediction provides a powerful framework for constructing distribution-free prediction regions with finite-sample coverage guarantees. While extensively studied in univariate settings, its extension to multi-output problems presents additional challenges, including complex output dependencies and high computational costs, and remains relatively underexplored. In this work, we present a unified comparative study of nine conformal methods with different multivariate base models for constructing multivariate prediction regions within the same framework. This study highlights their key properties while also exploring the connections between them. Additionally, we introduce two novel classes of conformity scores for multi-output regression that generalize their univariate counterparts. These scores ensure asymptotic conditional coverage while maintaining exact finite-sample marginal coverage. One class is compatible with any generative model, offering broad applicability, while the other is computationally efficient, leveraging the properties of invertible generative models. Finally, we conduct a comprehensive empirical evaluation across 13 tabular datasets, comparing all the multi-output conformal methods explored in this work. To ensure a fair and consistent comparison, all methods are implemented within a unified code base.

Victor Dheur, Tanguy Bosser, Rafael Izbicki et al.

Sequences of labeled events observed at irregular intervals in continuous time are ubiquitous across various fields. Temporal Point Processes (TPPs) provide a mathematical framework for modeling these sequences, enabling inferences such as predicting the arrival time of future events and their associated label, called mark. However, due to model misspecification or lack of training data, these probabilistic models may provide a poor approximation of the true, unknown underlying process, with prediction regions extracted from them being unreliable estimates of the underlying uncertainty. This paper develops more reliable methods for uncertainty quantification in neural TPP models via the framework of conformal prediction. A primary objective is to generate a distribution-free joint prediction region for an event's arrival time and mark, with a finite-sample marginal coverage guarantee. A key challenge is to handle both a strictly positive, continuous response and a categorical response, without distributional assumptions. We first consider a simple but conservative approach that combines individual prediction regions for the event's arrival time and mark. Then, we introduce a more effective method based on bivariate highest density regions derived from the joint predictive density of arrival times and marks. By leveraging the dependencies between these two variables, this method excludes unlikely combinations of the two, resulting in sharper prediction regions while still attaining the pre-specified coverage level. We also explore the generation of individual univariate prediction regions for events' arrival times and marks through conformal regression and classification techniques. Moreover, we evaluate the stronger notion of conditional coverage. Finally, through extensive experimentation on both simulated and real-world datasets, we assess the validity and efficiency of these methods.

Victor Dheur, Souhaib Ben Taieb

Generating calibrated and sharp neural network predictive distributions for regression problems is essential for optimal decision-making in many real-world applications. To address the miscalibration issue of neural networks, various methods have been proposed to improve calibration, including post-hoc methods that adjust predictions after training and regularization methods that act during training. While post-hoc methods have shown better improvement in calibration compared to regularization methods, the post-hoc step is completely independent of model training. We introduce a novel end-to-end model training procedure called Quantile Recalibration Training, integrating post-hoc calibration directly into the training process without additional parameters. We also present a unified algorithm that includes our method and other post-hoc and regularization methods, as particular cases. We demonstrate the performance of our method in a large-scale experiment involving 57 tabular regression datasets, showcasing improved predictive accuracy while maintaining calibration. We also conduct an ablation study to evaluate the significance of different components within our proposed method, as well as an in-depth analysis of the impact of the base model and different hyperparameters on predictive accuracy.

Vincent Plassier, Alexander Fishkov, Victor Dheur et al.

We present a new method for generating confidence sets within the split conformal prediction framework. Our method performs a trainable transformation of any given conformity score to improve conditional coverage while ensuring exact marginal coverage. The transformation is based on an estimate of the conditional quantile of conformity scores. The resulting method is particularly beneficial for constructing adaptive confidence sets in multi-output problems where standard conformal quantile regression approaches have limited applicability. We develop a theoretical bound that captures the influence of the accuracy of the quantile estimate on the approximate conditional validity, unlike classical bounds for conformal prediction methods that only offer marginal coverage. We experimentally show that our method is highly adaptive to the local data structure and outperforms existing methods in terms of conditional coverage, improving the reliability of statistical inference in various applications.

Victor Dheur, Souhaib Ben Taieb

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor approximation of the joint distribution of the response variables, leading to unreliable predictions and suboptimal decisions. Furthermore, standard recalibration methods are primarily limited to univariate settings, while conformal prediction techniques, despite generating multivariate prediction regions with coverage guarantees, do not provide a full probability density function. We address this gap by first introducing a novel notion of latent calibration, which assesses probabilistic calibration in the latent space of a conditional normalizing flow. Second, we propose latent recalibration (LR), a novel post-hoc model recalibration method that learns a transformation of the latent space with finite-sample bounds on latent calibration. Unlike existing methods, LR produces a recalibrated distribution with an explicit multivariate density function while remaining computationally efficient. Extensive experiments on both tabular and image datasets show that LR consistently improves latent calibration error and the negative log-likelihood of the recalibrated models.

M. Stocker, W. Małgorzewicz, M. Fontana et al.

Conformal prediction is a powerful post-hoc framework for uncertainty quantification that provides distribution-free coverage guarantees. However, these guarantees crucially rely on the assumption of exchangeability. This assumption is fundamentally violated in time series data, where temporal dependence and distributional shifts are pervasive. As a result, classical split-conformal methods may yield prediction intervals that fail to maintain nominal validity. This review unifies recent advances in conformal forecasting methods specifically designed to address nonexchangeable data. We first present a theoretical foundation, deriving finite-sample guarantees for split-conformal prediction under mild weak-dependence conditions. We then survey and classify state-of-the-art approaches that mitigate serial dependence by reweighting calibration data, dynamically updating residual distributions, or adaptively tuning target coverage levels in real time. Finally, we present a comprehensive simulation study that compares these techniques in terms of empirical coverage, interval width, and computational cost, highlighting practical trade-offs and open research directions.

Naomi Desobry, Elnura Zhalieva, Souhaib Ben Taieb

Probabilistic models must be well calibrated to support reliable decision-making. While calibration in single-output regression is well studied, defining and achieving multivariate calibration in multi-output regression remains considerably more challenging. The existing literature on multivariate calibration primarily focuses on diagnostic tools based on pre-rank functions, which are projections that reduce multivariate prediction-observation pairs to univariate summaries to detect specific types of miscalibration. In this work, we go beyond diagnostics and introduce a general regularization framework to enforce multivariate calibration during training for arbitrary pre-rank functions. This framework encompasses existing approaches such as highest density region calibration and copula calibration. Our method enforces calibration by penalizing deviations of the projected probability integral transforms (PITs) from the uniform distribution, and can be added as a regularization term to the loss function of any probabilistic predictor. Specifically, we propose a regularization loss that jointly enforces both marginal and multivariate pre-rank calibration. We also introduce a new PCA-based pre-rank that captures calibration along directions of maximal variance in the predictive distribution, while also enabling dimensionality reduction. Across 18 real-world multi-output regression datasets, we show that unregularized models are consistently miscalibrated, and that our methods significantly improve calibration across all pre-rank functions without sacrificing predictive accuracy.

Tanguy Bosser, Souhaib Ben Taieb

Neural Marked Temporal Point Processes (MTPP) are flexible models to capture complex temporal inter-dependencies between labeled events. These models inherently learn two predictive distributions: one for the arrival times of events and another for the types of events, also known as marks. In this study, we demonstrate that learning a MTPP model can be framed as a two-task learning problem, where both tasks share a common set of trainable parameters that are optimized jointly. We show that this often leads to the emergence of conflicting gradients during training, where task-specific gradients are pointing in opposite directions. When such conflicts arise, following the average gradient can be detrimental to the learning of each individual tasks, resulting in overall degraded performance. To overcome this issue, we introduce novel parametrizations for neural MTPP models that allow for separate modeling and training of each task, effectively avoiding the problem of conflicting gradients. Through experiments on multiple real-world event sequence datasets, we demonstrate the benefits of our framework compared to the original model formulations.

Le Thi Khanh Hien, Sukanya Patra, Souhaib Ben Taieb

A significant limitation of one-class classification anomaly detection methods is their reliance on the assumption that unlabeled training data only contains normal instances. To overcome this impractical assumption, we propose two novel classification-based anomaly detection methods. Firstly, we introduce a semi-supervised shallow anomaly detection method based on an unbiased risk estimator. Secondly, we present a semi-supervised deep anomaly detection method utilizing a nonnegative (biased) risk estimator. We establish estimation error bounds and excess risk bounds for both risk minimizers. Additionally, we propose techniques to select appropriate regularization parameters that ensure the nonnegativity of the empirical risk in the shallow model under specific loss functions. Our extensive experiments provide strong evidence of the effectiveness of the risk-based anomaly detection methods.