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Molecular property prediction is a crucial task that guides the design of new compounds, including drugs and materials. While explainable artificial intelligence methods aim to scrutinize model predictions by identifying influential…

Machine Learning · Computer Science 2025-08-27 Łukasz Janisiów , Marek Kochańczyk , Bartosz Zieliński , Tomasz Danel

While recent years have witnessed the emergence of various explainable methods in machine learning, to what degree the explanations really represent the reasoning process behind the model prediction -- namely, the faithfulness of…

Computation and Language · Computer Science 2021-09-07 Yingqiang Ge , Shuchang Liu , Zelong Li , Shuyuan Xu , Shijie Geng , Yunqi Li , Juntao Tan , Fei Sun , Yongfeng Zhang

The growing integration of machine learning (ML) and artificial intelligence (AI) models into high-stakes domains such as healthcare and scientific research calls for models that are not only accurate but also interpretable. Among the…

Machine Learning · Computer Science 2025-10-23 Zhuo Cao , Xuan Zhao , Lena Krieger , Hanno Scharr , Ira Assent

There has been a growing interest in model-agnostic methods that can make deep learning models more transparent and explainable to a user. Some researchers recently argued that for a machine to achieve a certain degree of human-level…

Artificial Intelligence · Computer Science 2021-06-09 Yu-Liang Chou , Catarina Moreira , Peter Bruza , Chun Ouyang , Joaquim Jorge

We consider counterfactual explanations, the problem of minimally adjusting features in a source input instance so that it is classified as a target class under a given classifier. This has become a topic of recent interest as a way to…

Machine Learning · Computer Science 2021-03-02 Miguel Á. Carreira-Perpiñán , Suryabhan Singh Hada

Counterfactual Explanations (CEs) are an important tool in Algorithmic Recourse for addressing two questions: 1. What are the crucial factors that led to an automated prediction/decision? 2. How can these factors be changed to achieve a…

Machine Learning · Computer Science 2023-11-23 Xuan Zhao , Klaus Broelemann , Gjergji Kasneci

As machine learning (ML) models become more widely deployed in high-stakes applications, counterfactual explanations have emerged as key tools for providing actionable model explanations in practice. Despite the growing popularity of…

Machine Learning · Computer Science 2022-12-16 Martin Pawelczyk , Chirag Agarwal , Shalmali Joshi , Sohini Upadhyay , Himabindu Lakkaraju

Recent advances in deep learning have improved multivariate time series (MTS) classification and regression by capturing complex patterns, but their lack of transparency hinders decision-making. Explainable AI (XAI) methods offer partial…

Machine Learning · Computer Science 2025-11-25 Alan G. Paredes Cetina , Kaouther Benguessoum , Raoni Lourenço , Sylvain Kubler

Counterfactual explanations (CFEs) guide users on how to adjust inputs to machine learning models to achieve desired outputs. While existing research primarily addresses static scenarios, real-world applications often involve data or model…

Machine Learning · Computer Science 2025-02-11 Ignacy Stępka , Mateusz Lango , Jerzy Stefanowski

Counterfactual explanation is a form of interpretable machine learning that generates perturbations on a sample to achieve the desired outcome. The generated samples can act as instructions to guide end users on how to observe the desired…

Machine Learning · Computer Science 2023-03-28 Tri Dung Duong , Qian Li , Guandong Xu

Interpretable machine learning seeks to understand the reasoning process of complex black-box systems that are long notorious for lack of explainability. One flourishing approach is through counterfactual explanations, which provide…

Artificial Intelligence · Computer Science 2023-06-02 Vy Vo , Trung Le , Van Nguyen , He Zhao , Edwin Bonilla , Gholamreza Haffari , Dinh Phung

Recent work on counterfactual visual explanations has contributed to making artificial intelligence models more explainable by providing visual perturbation to flip the prediction. However, these approaches neglect the causal relationships…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Yiran Qiao , Disheng Liu , Yiren Lu , Yu Yin , Mengnan Du , Jing Ma

Counterfactual explanations are a popular type of explanation for making the outcomes of a decision making system transparent to the user. Counterfactual explanations tell the user what to do in order to change the outcome of the system in…

Machine Learning · Computer Science 2022-11-29 André Artelt , Barbara Hammer

Counterfactual explanations (CEs) aim to enhance the interpretability of machine learning models by illustrating how alterations in input features would affect the resulting predictions. Common CE approaches require an additional model and…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Matan Atad , David Schinz , Hendrik Moeller , Robert Graf , Benedikt Wiestler , Daniel Rueckert , Nassir Navab , Jan S. Kirschke , Matthias Keicher

There is a growing concern that the recent progress made in AI, especially regarding the predictive competence of deep learning models, will be undermined by a failure to properly explain their operation and outputs. In response to this…

Machine Learning · Computer Science 2020-09-15 Eoin M. Kenny , Mark T. Keane

In the context of human-in-the-loop Machine Learning applications, like Decision Support Systems, interpretability approaches should provide actionable insights without making the users wait. In this paper, we propose Accelerated…

Machine Learning · Computer Science 2021-12-24 David Dandolo , Chiara Masiero , Mattia Carletti , Davide Dalle Pezze , Gian Antonio Susto

A highly accurate but overconfident model is ill-suited for deployment in critical applications such as healthcare and autonomous driving. The classification outcome should reflect a high uncertainty on ambiguous in-distribution samples…

Machine Learning · Computer Science 2022-10-25 Sumedha Singla , Nihal Murali , Forough Arabshahi , Sofia Triantafyllou , Kayhan Batmanghelich

Machine learning is increasingly applied in high-stakes decision making that directly affect people's lives, and this leads to an increased demand for systems to explain their decisions. Explanations often take the form of counterfactuals,…

Machine Learning · Computer Science 2021-05-20 Maximilian Schleich , Zixuan Geng , Yihong Zhang , Dan Suciu

Although many machine learning methods, especially from the field of deep learning, have been instrumental in addressing challenges within robotic applications, we cannot take full advantage of such methods before these can provide…

Robotics · Computer Science 2022-12-09 Vilde B. Gjærum , Inga Strümke , Anastasios M. Lekkas , Tim Miller

In this paper we suggest NICE: a new algorithm to generate counterfactual explanations for heterogeneous tabular data. The design of our algorithm specifically takes into account algorithmic requirements that often emerge in real-life…

Machine Learning · Computer Science 2022-05-17 Dieter Brughmans , Pieter Leyman , David Martens