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This paper reviews and advocates against the use of permute-and-predict (PaP) methods for interpreting black box functions. Methods such as the variable importance measures proposed for random forests, partial dependence plots, and…

Methodology · Statistics 2021-10-11 Giles Hooker , Lucas Mentch , Siyu Zhou

Reliable estimation of feature contributions in machine learning models is essential for trust, transparency and regulatory compliance, especially when models are proprietary or otherwise operate as black boxes. While permutation-based…

Machine Learning · Statistics 2025-12-24 Albert Dorador

Variable importance plays a pivotal role in interpretable machine learning as it helps measure the impact of factors on the output of the prediction model. Model agnostic methods based on the generation of "null" features via permutation…

The interpretation of feature importance in machine learning models is challenging when features are dependent. Permutation feature importance (PFI) ignores such dependencies, which can cause misleading interpretations due to extrapolation.…

Machine Learning · Statistics 2023-11-09 Christoph Molnar , Gunnar König , Bernd Bischl , Giuseppe Casalicchio

Feature-importance methods show promise in transforming machine learning models from predictive engines into tools for scientific discovery. However, due to data sampling and algorithmic stochasticity, expressive models can be unstable,…

Machine Learning · Statistics 2026-05-29 Joseph Paillard , Angel Reyero Lobo , Denis A. Engemann , Bertrand Thirion

Recently, the scheme of model-X knockoffs was proposed as a promising solution to address controlled feature selection under high-dimensional finite-sample settings. However, the procedure of model-X knockoffs depends heavily on the…

Methodology · Statistics 2022-03-10 Xuebin Zhao , Hong Chen , Yingjie Wang , Weifu Li , Tieliang Gong , Yulong Wang , Feng Zheng

Given a model $f$ that predicts a target $y$ from a vector of input features $\pmb{x} = x_1, x_2, \ldots, x_M$, we seek to measure the importance of each feature with respect to the model's ability to make a good prediction. To this end, we…

Machine Learning · Computer Science 2019-10-03 Luke Merrick

This paper proposes niching importance sampling, a framework that combines concepts from reliability analysis, e.g. Markov chains, importance sampling, and relative cross entropy minimisation, with niching techniques from evolutionary…

Computation · Statistics 2026-04-09 Hugh J. Kinnear , F. A. DiazDelaO

This paper deals with probabilistic upper bounds for the error in functional estimation defined on some interpolation and extrapolation designs, when the function to estimate is supposed to be analytic. The error pertaining to the estimate…

Statistics Theory · Mathematics 2011-01-26 Michel Broniatowski , Giorgio Celant , Marco Di Battista , Samuela Leoni-Aubin

We propose a non-parametric extrapolation method based on constrained Gaussian processes for configuration interaction methods. Our method has many advantages: (i) applicability to small data sets such as results of {\it ab initio} methods,…

Nuclear Theory · Physics 2020-08-06 Sota Yoshida

We study Mallows random permutations conditioned to avoid a given pattern $\alpha$ of length~$3$. When the bias parameter is of the form $e^{\beta/n}$, we prove that these permutations converge to a non-trivial explicit deterministic…

Probability · Mathematics 2026-04-28 Thomas Budzinski , Victor Dubach , Valentin Féray , Mohamed Slim Kammoun , Mylène Maïda

Variable selection in sparse regression models is an important task as applications ranging from biomedical research to econometrics have shown. Especially for higher dimensional regression problems, for which the link function between…

Machine Learning · Statistics 2019-12-10 Burim Ramosaj , Markus Pauly

Many common estimators in machine learning and causal inference are linear smoothers, where the prediction is a weighted average of the training outcomes. Some estimators, such as ordinary least squares and kernel ridge regression, allow…

Machine Learning · Computer Science 2026-04-02 David Arbour , Harsh Parikh , Bijan Niknam , Elizabeth Stuart , Kara Rudolph , Avi Feller

Large deviation theory has provided important clues for the choice of importance sampling measures for Monte Carlo evaluation of exceedance probabilities. However, Glasserman and Wang [Ann. Appl. Probab. 7 (1997) 731--746] have given…

Probability · Mathematics 2007-05-23 Hock Peng Chan , Tze Leung Lai

The traditional framework for feature selection treats all features as costing the same amount. However, in reality, a scientist often has considerable discretion regarding which variables to measure, and the decision involves a tradeoff…

Methodology · Statistics 2023-02-14 Guo Yu , Daniela Witten , Jacob Bien

We consider the problem of low probability estimation: given a machine learning model and a formally-specified input distribution, how can we estimate the probability of a binary property of the model's output, even when that probability is…

Machine Learning · Computer Science 2025-02-07 Gabriel Wu , Jacob Hilton

We propose an adaptive importance sampling scheme for Gaussian approximations of intractable posteriors. Optimization-based approximations like variational inference can be too inaccurate while existing Monte Carlo methods can be too slow.…

Computation · Statistics 2025-02-04 Willem van den Boom , Andrea Cremaschi , Alexandre H. Thiery

In this paper, a Monte Carlo based approach for the quantification of the importance of the scattering input parameters with respect to the failure probability is presented. Using the basic idea of the alpha-factors of the First Order…

Computation · Statistics 2024-08-14 Thomas Most

Feature selection is a critical step in the analysis of high-dimensional data, where the number of features often vastly exceeds the number of samples. Effective feature selection not only improves model performance and interpretability but…

Machine Learning · Computer Science 2025-01-27 Raquel Espinosa , Gracia Sánchez , José Palma , Fernando Jiménez

In order to trust the predictions of a machine learning algorithm, it is necessary to understand the factors that contribute to those predictions. In the case of probabilistic and uncertainty-aware models, it is necessary to understand not…

Machine Learning · Statistics 2024-08-19 Danny Wood , Theodore Papamarkou , Matt Benatan , Richard Allmendinger
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