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This paper considers the problem of kernel regression and classification with possibly unobservable response variables in the data, where the mechanism that causes the absence of information is unknown and can depend on both predictors and…

Statistics Theory · Mathematics 2022-12-07 Majid Mojirsheibani , William Pouliot , Andre Shakhbandaryan

Deep Neural Networks are widely used in academy as well as corporate and public applications, including safety critical applications such as health care and autonomous driving. The ability to explain their output is critical for safety…

Machine Learning · Computer Science 2024-03-14 Florian Eilers , Xiaoyi Jiang

Perturbation-based explainability methods such as KernelSHAP provide model-agnostic attributions but are typically impractical for patch-based 3D medical image segmentation due to the large number of coalition evaluations and the high cost…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Ricardo Coimbra Brioso , Giulio Sichili , Damiano Dei , Nicola Lambri , Pietro Mancosu , Marta Scorsetti , Daniele Loiacono

Quantifying the value of data within a machine learning workflow can play a pivotal role in making more strategic decisions in machine learning initiatives. The existing Shapley value based frameworks for data valuation in machine learning…

Machine Learning · Computer Science 2024-07-10 Ayush K Tarun , Vikram S Chundawat , Murari Mandal , Hong Ming Tan , Bowei Chen , Mohan Kankanhalli

The Shapley value (SV) is adopted in various scenarios in machine learning (ML), including data valuation, agent valuation, and feature attribution, as it satisfies their fairness requirements. However, as exact SVs are infeasible to…

Machine Learning · Computer Science 2022-12-02 Zijian Zhou , Xinyi Xu , Rachael Hwee Ling Sim , Chuan Sheng Foo , Kian Hsiang Low

Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than…

Machine Learning · Statistics 2022-10-25 David Widmann , Fredrik Lindsten , Dave Zachariah

Feature selection is a crucial step in building machine learning models. This process is often achieved with accuracy as an objective, and can be cumbersome and computationally expensive for large-scale datasets. Several additional model…

Machine Learning · Computer Science 2024-03-15 Shubham Sharma , Sanghamitra Dutta , Emanuele Albini , Freddy Lecue , Daniele Magazzeni , Manuela Veloso

Temporal Graph Neural Networks (TGNNs) have become increasingly popular in recent years due to their superior predictive performance by combining both spatial and temporal information. However, how these models utilize the information to…

Machine Learning · Computer Science 2026-04-28 Lea-Marie Sussek , Stefan Heindorf

We propose and study a framework for quantifying the importance of the choices of parameter values to the result of a query over a database. These parameters occur as constants in logical queries, such as conjunctive queries. In our…

Databases · Computer Science 2024-11-19 Amir Gilad , Martin Grohe , Benny Kimelfeld , Peter Lindner , Christoph Standke

We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…

Chemical Physics · Physics 2025-10-06 Felix Musil , Michael J. Willatt , Mikhail A. Langovoy , Michele Ceriotti

This paper discusses an application of Shapley values in the causal inference field, specifically on how to select the top confounder variables for coarsened exact matching method in a scalable way. We use a dataset from an observational…

Machine Learning · Statistics 2022-06-08 Jilei Yang , Wentao Su

Due to the growing adoption of deep neural networks in many fields of science and engineering, modeling and estimating their uncertainties has become of primary importance. Despite the growing literature about uncertainty quantification in…

Machine Learning · Computer Science 2023-02-15 Brian Staber , Sébastien Da Veiga

The high energy physics unfolding problem is an important statistical inverse problem in data analysis at the Large Hadron Collider (LHC) at CERN. The goal of unfolding is to make nonparametric inferences about a particle spectrum from…

Applications · Statistics 2017-06-09 Mikael Kuusela , Philip B. Stark

Shapley values underlie one of the most popular model-agnostic methods within explainable artificial intelligence. These values are designed to attribute the difference between a model's prediction and an average baseline to the different…

Artificial Intelligence · Computer Science 2020-11-04 Tom Heskes , Evi Sijben , Ioan Gabriel Bucur , Tom Claassen

Neural networks predictions are unreliable when the input sample is out of the training distribution or corrupted by noise. Being able to detect such failures automatically is fundamental to integrate deep learning algorithms into robotics.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Antonio Loquercio , Mattia Segù , Davide Scaramuzza

We propose a new method for input variable selection in nonlinear regression. The method is embedded into a kernel regression machine that can model general nonlinear functions, not being a priori limited to additive models. This is the…

Machine Learning · Computer Science 2018-09-05 Magda Gregorová , Jason Ramapuram , Alexandros Kalousis , Stéphane Marchand-Maillet

In data science, individual observations are often assumed to come independently from an underlying probability space. Kernel matrices formed from large sets of such observations arise frequently, for example during classification tasks. It…

Machine Learning · Statistics 2026-05-27 Mikhail Lepilov

Due to their power and ease of use, tree-based machine learning models, such as random forests and gradient-boosted tree ensembles, have become very popular. To interpret them, local feature attributions based on marginal expectations, e.g.…

Machine Learning · Computer Science 2024-05-09 Khashayar Filom , Alexey Miroshnikov , Konstandinos Kotsiopoulos , Arjun Ravi Kannan

Cohort Shapley value is a model-free method of variable importance grounded in game theory that does not use any unobserved and potentially impossible feature combinations. We use it to evaluate algorithmic fairness, using the well known…

Machine Learning · Computer Science 2021-05-20 Masayoshi Mase , Art B. Owen , Benjamin B. Seiler

Uncertainty estimation bears the potential to make deep learning (DL) systems more reliable. Standard techniques for uncertainty estimation, however, come along with specific combinations of strengths and weaknesses, e.g., with respect to…

Machine Learning · Computer Science 2022-05-02 Joachim Sicking , Maram Akila , Jan David Schneider , Fabian Hüger , Peter Schlicht , Tim Wirtz , Stefan Wrobel