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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

In machine learning (ML), it is in general challenging to provide a detailed explanation on how a trained model arrives at its prediction. Thus, usually we are left with a black-box, which from a scientific standpoint is not satisfactory.…

Materials Science · Physics 2021-04-22 Luca M. Ghiringhelli

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

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

There is a need of ensuring machine learning models that are interpretable. Higher interpretability of the model means easier comprehension and explanation of future predictions for end-users. Further, interpretable machine learning models…

Machine Learning · Computer Science 2020-08-17 Gregor Stiglic , Primoz Kocbek , Nino Fijacko , Marinka Zitnik , Katrien Verbert , Leona Cilar

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Machine learning methods have been remarkably successful for a wide range of application areas in the extraction of essential information from data. An exciting and relatively recent development is the uptake of machine learning in the…

Machine Learning · Computer Science 2020-03-13 Ribana Roscher , Bastian Bohn , Marco F. Duarte , Jochen Garcke

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

Advanced machine learning models have recently achieved high predictive accuracy for weather and climate prediction. However, these complex models often lack inherent transparency and interpretability, acting as "black boxes" that impede…

Atmospheric and Oceanic Physics · Physics 2024-03-29 Ruyi Yang , Jingyu Hu , Zihao Li , Jianli Mu , Tingzhao Yu , Jiangjiang Xia , Xuhong Li , Aritra Dasgupta , Haoyi Xiong

The term "interpretability" is oftenly used by machine learning researchers each with their own intuitive understanding of it. There is no universal well agreed upon definition of interpretability in machine learning. As any type of science…

Machine Learning · Computer Science 2018-07-26 Abdul Karim , Avinash Mishra , MA Hakim Newton , Abdul Sattar

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

Though neural networks trained on large datasets have been successfully used to describe and predict many physical phenomena, there is a sense among scientists that, unlike traditional scientific models comprising simple mathematical…

Machine Learning · Computer Science 2026-04-23 Conor Rowan , Alireza Doostan

Advances in machine learning have impacted myriad areas of materials science, ranging from the discovery of novel materials to the improvement of molecular simulations, with likely many more important developments to come. Given the rapid…

Materials Science · Physics 2020-06-26 Dane Morgan , Ryan Jacobs

Interpretability and explainability have gained more and more attention in the field of machine learning as they are crucial when it comes to high-stakes decisions and troubleshooting. Since both provide information about predictors and…

Machine Learning · Computer Science 2024-04-26 Benjamin Leblanc , Pascal Germain

As machine learning systems become ubiquitous, there has been a surge of interest in interpretable machine learning: systems that provide explanation for their outputs. These explanations are often used to qualitatively assess other…

Machine Learning · Statistics 2017-03-06 Finale Doshi-Velez , Been Kim

Machine learning models have had discernible achievements in a myriad of applications. However, most of these models are black-boxes, and it is obscure how the decisions are made by them. This makes the models unreliable and untrustworthy.…

Machine Learning · Computer Science 2020-03-23 Raha Moraffah , Mansooreh Karami , Ruocheng Guo , Adrienne Raglin , Huan Liu

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

With machine learning models being increasingly used to aid decision making even in high-stakes domains, there has been a growing interest in developing interpretable models. Although many supposedly interpretable models have been proposed,…

Artificial Intelligence · Computer Science 2021-08-17 Forough Poursabzi-Sangdeh , Daniel G. Goldstein , Jake M. Hofman , Jennifer Wortman Vaughan , Hanna Wallach

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this…

Machine Learning · Computer Science 2021-09-02 Cynthia Rudin , Chaofan Chen , Zhi Chen , Haiyang Huang , Lesia Semenova , Chudi Zhong

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
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