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Machine learning is increasingly transforming various scientific fields, enabled by advancements in computational power and access to large data sets from experiments and simulations. As artificial intelligence (AI) continues to grow in…

Computational Physics · Physics 2025-04-01 Sebastian Johann Wetzel , Seungwoong Ha , Raban Iten , Miriam Klopotek , Ziming Liu

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

In this review, we examine the problem of designing interpretable and explainable machine learning models. Interpretability and explainability lie at the core of many machine learning and statistical applications in medicine, economics,…

Machine Learning · Computer Science 2023-03-02 Ričards Marcinkevičs , Julia E. Vogt

Given the importance of integrating of explainability into machine learning, at present, there are a lack of pedagogical resources exploring this. Specifically, we have found a need for resources in explaining how one can teach the…

Human-Computer Interaction · Computer Science 2022-02-22 Andreas Bueff , Ioannis Papantonis , Auste Simkute , Vaishak Belle

New technologies have led to vast troves of large and complex datasets across many scientific domains and industries. People routinely use machine learning techniques to not only process, visualize, and make predictions from this big data,…

Machine Learning · Statistics 2023-08-04 Genevera I. Allen , Luqin Gan , Lili Zheng

Explainability is highly-desired in Machine Learning (ML) systems supporting high-stakes policy decisions in areas such as health, criminal justice, education, and employment. While the field of explainable ML has expanded in recent years,…

Machine Learning · Computer Science 2023-02-21 Kasun Amarasinghe , Kit Rodolfa , Hemank Lamba , Rayid Ghani

This survey presents an overview of integrating prior knowledge into machine learning systems in order to improve explainability. The complexity of machine learning models has elicited research to make them more explainable. However, most…

Explainable machine learning offers the potential to provide stakeholders with insights into model behavior by using various methods such as feature importance scores, counterfactual explanations, or influential training data. Yet there is…

In the quest to align deep learning with the sciences to address calls for rigor, safety, and interpretability in machine learning systems, this contribution identifies key missing pieces: the stages of hypothesis formulation and testing,…

Machine Learning · Computer Science 2019-04-25 Jessica Zosa Forde , Michela Paganini

Explainable artificial intelligence and interpretable machine learning are research domains growing in importance. Yet, the underlying concepts remain somewhat elusive and lack generally agreed definitions. While recent inspiration from…

Artificial Intelligence · Computer Science 2022-09-12 Kacper Sokol , Peter Flach

The currently dominating artificial intelligence and machine learning technology, neural networks, builds on inductive statistical learning. Neural networks of today are information processing systems void of understanding and reasoning…

Artificial Intelligence · Computer Science 2022-08-26 Lars Holmberg

Explainable information retrieval is an emerging research area aiming to make transparent and trustworthy information retrieval systems. Given the increasing use of complex machine learning models in search systems, explainability is…

Information Retrieval · Computer Science 2022-11-07 Avishek Anand , Lijun Lyu , Maximilian Idahl , Yumeng Wang , Jonas Wallat , Zijian Zhang

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Machine Learning explainability techniques have been proposed as a means of `explaining' or interrogating a model in order to understand why a particular decision or prediction has been made. Such an ability is especially important at a…

Machine Learning · Statistics 2022-02-28 Matthew J. Vowels

Explainability is needed to establish confidence in machine learning results. Some explainable methods take a post hoc approach to explain the weights of machine learning models, others highlight areas of the input contributing to…

Machine Learning · Computer Science 2024-07-15 Paul Whitten , Francis Wolff , Chris Papachristou

Interpretable machine learning tackles the important problem that humans cannot understand the behaviors of complex machine learning models and how these models arrive at a particular decision. Although many approaches have been proposed, a…

Machine Learning · Computer Science 2019-05-21 Mengnan Du , Ninghao Liu , Xia Hu

Explainability has been an important goal since the early days of Artificial Intelligence. Several approaches for producing explanations have been developed. However, many of these approaches were tightly coupled with the capabilities of…

Artificial Intelligence · Computer Science 2020-03-20 Shruthi Chari , Daniel M. Gruen , Oshani Seneviratne , Deborah L. McGuinness

In recent years, machine learning (ML) has become a key enabling technology for the sciences and industry. Especially through improvements in methodology, the availability of large databases and increased computational power, today's ML…

Artificial Intelligence · Computer Science 2019-09-27 Wojciech Samek , Klaus-Robert Müller

Recent years have seen a boom in interest in machine learning systems that can provide a human-understandable rationale for their predictions or decisions. However, exactly what kinds of explanation are truly human-interpretable remains…

Machine Learning · Computer Science 2019-08-30 Isaac Lage , Emily Chen , Jeffrey He , Menaka Narayanan , Been Kim , Sam Gershman , Finale Doshi-Velez

The overarching goal of Explainable AI is to develop systems that not only exhibit intelligent behaviours, but also are able to explain their rationale and reveal insights. In explainable machine learning, methods that produce a high level…

Artificial Intelligence · Computer Science 2020-05-06 Xiuyi Fan , Siyuan Liu , Thomas C. Henderson
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