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As causal ground truth is incredibly rare, causal discovery algorithms are commonly only evaluated on simulated data. This is concerning, given that simulations reflect preconceptions about generating processes regarding noise…

We present a weighted version of Leave-One-Out (LOO) cross-validation for estimating the Integrated Squared Error (ISE) when approximating an unknown function by a predictor that depends linearly on evaluations of the function over a finite…

Machine Learning · Statistics 2025-05-27 Luc Pronzato , Maria-João Rendas

We propose a method to classify the causal relationship between two discrete variables given only the joint distribution of the variables, acknowledging that the method is subject to an inherent baseline error. We assume that the causal…

Machine Learning · Statistics 2016-11-07 Krzysztof Chalupka , Frederick Eberhardt , Pietro Perona

With machine learning being a popular topic in current computational materials science literature, creating representations for compounds has become common place. These representations are rarely compared, as evaluating their performance -…

Machine Learning · Computer Science 2023-05-26 Samantha Durdy , Michael Gaultois , Vladimir Gusev , Danushka Bollegala , Matthew J. Rosseinsky

Conditional independence testing is an important problem, yet provably hard without assumptions. One of the assumptions that has become popular of late is called "model-X", where we assume we know the joint distribution of the covariates,…

Methodology · Statistics 2020-07-14 Eugene Katsevich , Aaditya Ramdas

Causal effect estimation is a critical task in statistical learning that aims to find the causal effect on subjects by identifying causal links between a number of predictor (or, explanatory) variables and the outcome of a treatment. In a…

Methodology · Statistics 2024-11-26 Tathagata Basu , Matthias C. M. Troffaes

Causal discovery methods can identify valid adjustment sets for causal effect estimation for a pair of target variables, even when the underlying causal graph is unknown. Global causal discovery methods focus on learning the whole causal…

Machine Learning · Statistics 2026-04-01 Mátyás Schubert , Tom Claassen , Sara Magliacane

When evaluating and comparing models using leave-one-out cross-validation (LOO-CV), the uncertainty of the estimate is typically assessed using the variance of the sampling distribution. Considering the uncertainty is important, as the…

Methodology · Statistics 2022-02-16 Tuomas Sivula , Måns Magnusson , Aki Vehtari

We investigate leave-one-out cross validation (CV) as a determinator of the weight of the penalty term in the least absolute shrinkage and selection operator (LASSO). First, on the basis of the message passing algorithm and a perturbative…

Information Theory · Computer Science 2016-06-22 Tomoyuki Obuchi , Yoshiyuki Kabashima

Cross-validation is a common method for estimating the predictive performance of machine learning models. In a data-scarce regime, where one typically wishes to maximize the number of instances used for training the model, an approach…

Methodology · Statistics 2025-03-25 George I. Austin , Itsik Pe'er , Tal Korem

Causal discovery from observational data holds great promise, but existing methods rely on strong assumptions about the underlying causal structure, often requiring full observability of all relevant variables. We tackle these challenges by…

Much of the causal discovery literature prioritises guaranteeing the identifiability of causal direction in statistical models. For structures within a Markov equivalence class, this requires strong assumptions which may not hold in…

Machine Learning · Statistics 2024-05-29 Anish Dhir , Samuel Power , Mark van der Wilk

Causal inference methods based on conditional independence construct Markov equivalent graphs, and cannot be applied to bivariate cases. The approaches based on independence of cause and mechanism state, on the contrary, that causal…

Machine Learning · Computer Science 2021-08-04 Nataliya Sokolovska , Pierre-Henri Wuillemin

We focus on causal discovery in the presence of measurement error in linear systems where the mixing matrix, i.e., the matrix indicating the independent exogenous noise terms pertaining to the observed variables, is identified up to…

Machine Learning · Computer Science 2022-11-09 Yuqin Yang , AmirEmad Ghassami , Mohamed Nafea , Negar Kiyavash , Kun Zhang , Ilya Shpitser

Conformal prediction (CP) is an important tool for distribution-free predictive uncertainty quantification. Yet, a major challenge is to balance computational efficiency and prediction accuracy, particularly for multiple predictions. We…

Machine Learning · Statistics 2025-04-17 Kiljae Lee , Yuan Zhang

This work addresses the following question: Under what assumptions on the data generating process can one infer the causal graph from the joint distribution? The approach taken by conditional independence-based causal discovery methods is…

Machine Learning · Computer Science 2012-02-20 Jonas Peters , Joris Mooij , Dominik Janzing , Bernhard Schoelkopf

Causal discovery from data affected by unobserved variables is an important but difficult problem to solve. The effects that unobserved variables have on the relationships between observed variables are more complex in nonlinear cases than…

Machine Learning · Computer Science 2021-06-07 Takashi Nicholas Maeda , Shohei Shimizu

The presence of unobserved common causes and measurement error poses two major obstacles to causal structure learning, since ignoring either source of complexity can induce spurious causal relations among variables of interest. We study…

Machine Learning · Computer Science 2026-04-10 Yuqin Yang , Mohamed Nafea , Negar Kiyavash , Kun Zhang , AmirEmad Ghassami

In this paper we consider the problem of Gaussian process classifier (GPC) model selection with different Leave-One-Out (LOO) Cross Validation (CV) based optimization criteria and provide a practical algorithm using LOO predictive…

Machine Learning · Computer Science 2012-06-27 Sundararajan Sellamanickam , Sathiya Keerthi Selvaraj

Given data sampled from a number of variables, one is often interested in the underlying causal relationships in the form of a directed acyclic graph. In the general case, without interventions on some of the variables it is only possible…

Machine Learning · Statistics 2017-12-05 Christopher Nowzohour , Peter Bühlmann