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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

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

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

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

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned…

Machine Learning · Statistics 2019-11-15 W. James Murdoch , Chandan Singh , Karl Kumbier , Reza Abbasi-Asl , Bin Yu

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

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

The increasing adoption of machine learning tools has led to calls for accountability via model interpretability. But what does it mean for a machine learning model to be interpretable by humans, and how can this be assessed? We focus on…

Machine Learning · Computer Science 2019-08-06 Dylan Slack , Sorelle A. Friedler , Carlos Scheidegger , Chitradeep Dutta Roy

Deep neural networks have been well-known for their superb handling of various machine learning and artificial intelligence tasks. However, due to their over-parameterized black-box nature, it is often difficult to understand the prediction…

Machine Learning · Computer Science 2022-07-18 Xuhong Li , Haoyi Xiong , Xingjian Li , Xuanyu Wu , Xiao Zhang , Ji Liu , Jiang Bian , Dejing Dou

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

Society's capacity for algorithmic problem-solving has never been greater. Artificial Intelligence is now applied across more domains than ever, a consequence of powerful abstractions, abundant data, and accessible software. As capabilities…

Machine Learning · Statistics 2024-08-20 Kris Sankaran

In recent years, the question of the reliability of Machine Learning (ML) methods has acquired significant importance, and the analysis of the associated uncertainties has motivated a growing amount of research. However, most of these…

Artificial Intelligence · Computer Science 2024-07-01 Luigi Scorzato

To learn about real world phenomena, scientists have traditionally used models with clearly interpretable elements. However, modern machine learning (ML) models, while powerful predictors, lack this direct elementwise interpretability (e.g.…

Machine Learning · Statistics 2024-07-16 Timo Freiesleben , Gunnar König , Christoph Molnar , Alvaro Tejero-Cantero

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

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

The interpretability of ML models is important, but it is not clear what it amounts to. So far, most philosophers have discussed the lack of interpretability of black-box models such as neural networks, and methods such as explainable AI…

Machine Learning · Computer Science 2024-01-05 Tim Räz

Recent efforts in Machine Learning (ML) interpretability have focused on creating methods for explaining black-box ML models. However, these methods rely on the assumption that simple approximations, such as linear models or decision-trees,…

Machine Learning · Computer Science 2019-06-13 Owen Lahav , Nicholas Mastronarde , Mihaela van der Schaar

Interpretability provides a means for humans to verify aspects of machine learning (ML) models and empower human+ML teaming in situations where the task cannot be fully automated. Different contexts require explanations with different…

Machine Learning · Computer Science 2024-07-15 Zixi Chen , Varshini Subhash , Marton Havasi , Weiwei Pan , Finale Doshi-Velez

Data-driven models are central to scientific discovery. In efforts to achieve state-of-the-art model accuracy, researchers are employing increasingly complex machine learning algorithms that often outperform simple regressions in…

Materials Science · Physics 2022-12-21 Eric S. Muckley , James E. Saal , Bryce Meredig , Christopher S. Roper , John H. Martin

When quantitative models are used to support decision-making on complex and important topics, understanding a model's ``reasoning'' can increase trust in its predictions, expose hidden biases, or reduce vulnerability to adversarial attacks.…

Machine Learning · Computer Science 2019-07-09 Dimitris Bertsimas , Arthur Delarue , Patrick Jaillet , Sebastien Martin
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