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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

A task of interest in machine learning (ML) is that of ascribing explanations to the predictions made by ML models. Furthermore, in domains deemed high risk, the rigor of explanations is paramount. Indeed, incorrect explanations can and…

Artificial Intelligence · Computer Science 2025-07-11 Mohamed Siala , Jordi Planes , Joao Marques-Silva

We present an interpretable companion model for any pre-trained black-box classifiers. The idea is that for any input, a user can decide to either receive a prediction from the black-box model, with high accuracy but no explanations, or…

Machine Learning · Statistics 2020-02-12 Danqing Pan , Tong Wang , Satoshi Hara

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

With the growing popularity of deep-learning based NLP models, comes a need for interpretable systems. But what is interpretability, and what constitutes a high-quality interpretation? In this opinion piece we reflect on the current state…

Computation and Language · Computer Science 2020-04-29 Alon Jacovi , Yoav Goldberg

Through extensive experience developing and explaining machine learning (ML) applications for real-world domains, we have learned that ML models are only as interpretable as their features. Even simple, highly interpretable model types such…

Machine Learning · Computer Science 2022-02-25 Alexandra Zytek , Ignacio Arnaldo , Dongyu Liu , Laure Berti-Equille , Kalyan Veeramachaneni

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

A trade-off between accuracy and fairness is almost taken as a given in the existing literature on fairness in machine learning. Yet, it is not preordained that accuracy should decrease with increased fairness. Novel to this work, we…

Machine Learning · Statistics 2020-12-14 Sanghamitra Dutta , Dennis Wei , Hazar Yueksel , Pin-Yu Chen , Sijia Liu , Kush R. Varshney

Mechanistic interpretability aims to understand the computational mechanisms underlying neural networks' capabilities in order to accomplish concrete scientific and engineering goals. Progress in this field thus promises to provide greater…

Neurosymbolic AI combines the interpretability, parsimony, and explicit reasoning of classical symbolic approaches with the statistical learning of data-driven neural approaches. Models and policies that are simultaneously differentiable…

Artificial Intelligence · Computer Science 2024-02-09 Peter Graf , Patrick Emami

Reliable deployment of machine learning models such as neural networks continues to be challenging due to several limitations. Some of the main shortcomings are the lack of interpretability and the lack of robustness against adversarial…

Machine Learning · Computer Science 2025-02-18 Jon Vadillo , Roberto Santana , Jose A. Lozano

Most recent work on interpretability of complex machine learning models has focused on estimating $\textit{a posteriori}$ explanations for previously trained models around specific predictions. $\textit{Self-explaining}$ models where…

Machine Learning · Computer Science 2018-12-05 David Alvarez-Melis , Tommi S. Jaakkola

Interpretability benefits the theoretical understanding of representations. Existing word embeddings are generally dense representations. Hence, the meaning of latent dimensions is difficult to interpret. This makes word embeddings like a…

Computation and Language · Computer Science 2023-06-27 Minxue Xia , Hao Zhu

Modern predictive analytics underpinned by machine learning techniques has become a key enabler to the automation of data-driven decision making. In the context of business process management, predictive analytics has been applied to making…

Machine Learning · Computer Science 2020-06-09 Renuka Sindhgatta , Chun Ouyang , Catarina Moreira

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

We consider basic conceptual questions concerning the relationship between statistical estimation and causal inference. Firstly, we show how to translate causal inference problems into an abstract statistical formalism without requiring any…

Statistics Theory · Mathematics 2020-07-22 Oliver J. Maclaren , Ruanui Nicholson

Despite AI's superhuman performance in a variety of domains, humans are often unwilling to adopt AI systems. The lack of interpretability inherent in many modern AI techniques is believed to be hurting their adoption, as users may not trust…

Artificial Intelligence · Computer Science 2021-11-17 Daehwan Ahn , Abdullah Almaatouq , Monisha Gulabani , Kartik Hosanagar

Learning algorithms need bias to generalize and perform better than random guessing. We examine the flexibility (expressivity) of biased algorithms. An expressive algorithm can adapt to changing training data, altering its outcome based on…

Machine Learning · Statistics 2019-11-13 Julius Lauw , Dominique Macias , Akshay Trikha , Julia Vendemiatti , George D. Montanez

Along with the great success of deep neural networks, there is also growing concern about their black-box nature. The interpretability issue affects people's trust on deep learning systems. It is also related to many ethical problems, e.g.,…

Machine Learning · Computer Science 2022-02-01 Yu Zhang , Peter Tiňo , Aleš Leonardis , Ke Tang

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