MAPIE: an open-source library for distribution-free uncertainty quantificationVianney Taquet, Vincent Blot, Thomas Morzadec et al.
Estimating uncertainties associated with the predictions of Machine Learning (ML) models is of crucial importance to assess their robustness and predictive power. In this submission, we introduce MAPIE (Model Agnostic Prediction Interval Estimator), an open-source Python library that quantifies the uncertainties of ML models for single-output regression and multi-class classification tasks. MAPIE implements conformal prediction methods, allowing the user to easily compute uncertainties with strong theoretical guarantees on the marginal coverages and with mild assumptions on the model or on the underlying data distribution. MAPIE is hosted on scikit-learn-contrib and is fully "scikit-learn-compatible". As such, it accepts any type of regressor or classifier coming with a scikit-learn API. The library is available at: https://github.com/scikit-learn-contrib/MAPIE/.
5.3MLAug 3, 2022
Robust PCA for Anomaly Detection and Data Imputation in Seasonal Time SeriesHong-Lan Botterman, Julien Roussel, Thomas Morzadec et al.
We propose a robust principal component analysis (RPCA) framework to recover low-rank and sparse matrices from temporal observations. We develop an online version of the batch temporal algorithm in order to process larger datasets or streaming data. We empirically compare the proposed approaches with different RPCA frameworks and show their effectiveness in practical situations.
3.8MLSep 29, 2022
Local and Regional Counterfactual Rules: Summarized and Robust RecoursesSalim I. Amoukou, Nicolas J. B Brunel
Counterfactual Explanations (CE) face several unresolved challenges, such as ensuring stability, synthesizing multiple CEs, and providing plausibility and sparsity guarantees. From a more practical point of view, recent studies [Pawelczyk et al., 2022] show that the prescribed counterfactual recourses are often not implemented exactly by individuals and demonstrate that most state-of-the-art CE algorithms are very likely to fail in this noisy environment. To address these issues, we propose a probabilistic framework that gives a sparse local counterfactual rule for each observation, providing rules that give a range of values capable of changing decisions with high probability. These rules serve as a summary of diverse counterfactual explanations and yield robust recourses. We further aggregate these local rules into a regional counterfactual rule, identifying shared recourses for subgroups of the data. Our local and regional rules are derived from the Random Forest algorithm, which offers statistical guarantees and fidelity to data distribution by selecting recourses in high-density regions. Moreover, our rules are sparse as we first select the smallest set of variables having a high probability of changing the decision. We have conducted experiments to validate the effectiveness of our counterfactual rules in comparison to standard CE and recent similar attempts. Our methods are available as a Python package.
The Shapley Value of coalition of variables provides better explanationsSalim I. Amoukou, Nicolas J-B. Brunel, Tangi Salaün
While Shapley Values (SV) are one of the gold standard for interpreting machine learning models, we show that they are still poorly understood, in particular in the presence of categorical variables or of variables of low importance. For instance, we show that the popular practice that consists in summing the SV of dummy variables is false as it provides wrong estimates of all the SV in the model and implies spurious interpretations. Based on the identification of null and active coalitions, and a coalitional version of the SV, we provide a correct computation and inference of important variables. Moreover, a Python library (All the experiments and simulations can be reproduced with the publicly available library Active Coalition of Variables, https://www.github.com/salimamoukou/acv00) that computes reliably conditional expectations and SV for tree-based models, is implemented and compared with state-of-the-art algorithms on toy models and real data sets.
Automatically Adaptive Conformal Risk ControlVincent Blot, Anastasios N Angelopoulos, Michael I Jordan et al.
Science and technology have a growing need for effective mechanisms that ensure reliable, controlled performance from black-box machine learning algorithms. These performance guarantees should ideally hold conditionally on the input-that is the performance guarantees should hold, at least approximately, no matter what the input. However, beyond stylized discrete groupings such as ethnicity and gender, the right notion of conditioning can be difficult to define. For example, in problems such as image segmentation, we want the uncertainty to reflect the intrinsic difficulty of the test sample, but this may be difficult to capture via a conditioning event. Building on the recent work of Gibbs et al. [2023], we propose a methodology for achieving approximate conditional control of statistical risks-the expected value of loss functions-by adapting to the difficulty of test samples. Our framework goes beyond traditional conditional risk control based on user-provided conditioning events to the algorithmic, data-driven determination of appropriate function classes for conditioning. We apply this framework to various regression and segmentation tasks, enabling finer-grained control over model performance and demonstrating that by continuously monitoring and adjusting these parameters, we can achieve superior precision compared to conventional risk-control methods.
Accurate Shapley Values for explaining tree-based modelsSalim I. Amoukou, Nicolas J-B. Brunel, Tangi Salaün
Shapley Values (SV) are widely used in explainable AI, but their estimation and interpretation can be challenging, leading to inaccurate inferences and explanations. As a starting point, we remind an invariance principle for SV and derive the correct approach for computing the SV of categorical variables that are particularly sensitive to the encoding used. In the case of tree-based models, we introduce two estimators of Shapley Values that exploit the tree structure efficiently and are more accurate than state-of-the-art methods. Simulations and comparisons are performed with state-of-the-art algorithms and show the practical gain of our approach. Finally, we discuss the limitations of Shapley Values as a local explanation. These methods are available as a Python package.
Bayesian reconstruction of memories stored in neural networks from their connectivitySebastian Goldt, Florent Krzakala, Lenka Zdeborová et al.
The advent of comprehensive synaptic wiring diagrams of large neural circuits has created the field of connectomics and given rise to a number of open research questions. One such question is whether it is possible to reconstruct the information stored in a recurrent network of neurons, given its synaptic connectivity matrix. Here, we address this question by determining when solving such an inference problem is theoretically possible in specific attractor network models and by providing a practical algorithm to do so. The algorithm builds on ideas from statistical physics to perform approximate Bayesian inference and is amenable to exact analysis. We study its performance on three different models, compare the algorithm to standard algorithms such as PCA, and explore the limitations of reconstructing stored patterns from synaptic connectivity.