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When using machine learning techniques in decision-making processes, the interpretability of the models is important. In the present paper, we adopted the Shapley additive explanation (SHAP), which is based on fair profit allocation among…

Machine Learning · Computer Science 2022-03-03 Yasunobu Nohara , Koutarou Matsumoto , Hidehisa Soejima , Naoki Nakashima

Feature selection of high-dimensional labeled data with limited observations is critical for making powerful predictive modeling accessible, scalable, and interpretable for domain experts. Spectroscopy data, which records the interaction…

Machine Learning · Computer Science 2022-02-10 Frantishek Akulich , Hadis Anahideh , Manaf Sheyyab , Dhananjay Ambre

In this growing age of data and technology, large black-box models are becoming the norm due to their ability to handle vast amounts of data and learn incredibly complex data patterns. The deficiency of these methods, however, is their…

Machine Learning · Computer Science 2026-04-09 Justin Lin , Julia Fukuyama

Machine learning (ML) models have shown success in applications with an objective of prediction, but the algorithmic complexity of some models makes them difficult to interpret. Methods have been proposed to provide insight into these…

Machine Learning · Computer Science 2025-02-13 Katherine Goode , J. Derek Tucker , Daniel Ries , Heike Hofmann

Methods for supervised principal component analysis (SPCA) aim to incorporate label information into principal component analysis (PCA), so that the extracted features are more useful for a prediction task of interest. Prior work on SPCA…

Machine Learning · Statistics 2022-08-18 Alexander Ritchie , Laura Balzano , Daniel Kessler , Chandra S. Sripada , Clayton Scott

The importance of explainability in machine learning continues to grow, as both neural-network architectures and the data they model become increasingly complex. Unique challenges arise when a model's input features become high dimensional:…

Machine Learning · Computer Science 2021-12-21 Damien de Mijolla , Christopher Frye , Markus Kunesch , John Mansir , Ilya Feige

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle…

Artificial Intelligence · Computer Science 2017-11-28 Scott Lundberg , Su-In Lee

The success of machine learning models relies heavily on effectively representing high-dimensional data. However, ensuring data representations capture human-understandable concepts remains difficult, often requiring the incorporation of…

Machine Learning · Statistics 2024-11-01 Jiayu Su , David A. Knowles , Raul Rabadan

Model identification is a crucial problem in chemical industries. In recent years, there has been increasing interest in learning data-driven models utilizing partial knowledge about the system of interest. Most techniques for model…

Machine Learning · Computer Science 2020-07-09 Deepak Maurya , Sivadurgaprasad Chinta , Abhishek Sivaram , Raghunathan Rengaswamy

While the uptake of data-driven approaches for materials science and chemistry is at an exciting, early stage, to realise the true potential of machine learning models for successful scientific discovery, they must have qualities beyond…

Materials Science · Physics 2022-06-28 Felipe Oviedo , Juan Lavista Ferres , Tonio Buonassisi , Keith Butler

As machine learning models are increasingly considered for high-stakes domains, effective explanation methods are crucial to ensure that their prediction strategies are transparent to the user. Over the years, numerous metrics have been…

Machine Learning · Computer Science 2025-04-14 Johannes Maeß , Grégoire Montavon , Shinichi Nakajima , Klaus-Robert Müller , Thomas Schnake

Interpretability is a pressing issue for machine learning. Common approaches to interpretable machine learning constrain interactions between features of the input, rendering the effects of those features on a model's output comprehensible…

Machine Learning · Computer Science 2023-05-11 Kieran A. Murphy , Dani S. Bassett

Spectral-based machine learning models have been increasingly deployed in chemometrics and spectroscopy, where predictive accuracy is as important as explainability. Current employed eXplainable Artificial Intelligence (XAI) methods are…

Machine Learning · Computer Science 2026-05-05 Jose Vinicius Ribeiro , Rafael Figueira Goncalves , Fabio Luiz Melquiades , Sylvio Barbon Junior

Continual Learning trains models on a stream of data, with the aim of learning new information without forgetting previous knowledge. Given the dynamic nature of such environments, explaining the predictions of these models can be…

Machine Learning · Computer Science 2023-06-21 Andrea Cossu , Francesco Spinnato , Riccardo Guidotti , Davide Bacciu

Data analysis that uses the output of topological data analysis as input for machine learning algorithms has been the subject of extensive research. This approach offers a means of capturing the global structure of data. Persistent homology…

Machine Learning · Computer Science 2023-10-17 Naofumi Hama

Explainability in AI is crucial for model development, compliance with regulation, and providing operational nuance to predictions. The Shapley framework for explainability attributes a model's predictions to its input features in a…

Machine Learning · Computer Science 2021-12-21 Christopher Frye , Damien de Mijolla , Tom Begley , Laurence Cowton , Megan Stanley , Ilya Feige

We emphasize the importance of asking the right question when interpreting the decisions of a learning model. We discuss a natural extension of the theoretical machinery from Janzing et. al. 2020, which answers the question "Why did my…

Machine Learning · Statistics 2020-12-11 Debraj Basu

In high-dimensional and high-stakes contexts, ensuring both rigorous statistical guarantees and interpretability in feature extraction from complex tabular data remains a formidable challenge. Traditional methods such as Principal Component…

Machine Learning · Computer Science 2025-03-25 Xiaochen Zhang , Haoyi Xiong

With the adoption of machine learning-based solutions in routine clinical practice, the need for reliable interpretability tools has become pressing. Shapley values provide local explanations. The method gained popularity in recent years.…

Methodology · Statistics 2023-06-27 Lucile Ter-Minassian , Sahra Ghalebikesabi , Karla Diaz-Ordaz , Chris Holmes

In spite of increased attention on explainable machine learning models, explaining multi-output predictions has not yet been extensively addressed. Methods that use Shapley values to attribute feature contributions to the decision making…

Machine Learning · Computer Science 2023-03-31 Célia Wafa Ayad , Thomas Bonnier , Benjamin Bosch , Jesse Read
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