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Related papers: Interpretable and Explainable Machine Learning for…

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Machine learning is frequently used in affective computing, but presents challenges due the opacity of state-of-the-art machine learning methods. Because of the impact affective machine learning systems may have on an individual's life, it…

Machine Learning · Computer Science 2025-10-07 David S. Johnson , Olya Hakobyan , Hanna Drimalla

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

This review aims to draw attention to two issues of concern when we set out to make machine learning work in the chemical and materials domain, i.e., statistical loss function metrics for the validation and benchmarking of data-derived…

Chemical Physics · Physics 2021-01-26 Gaurav Vishwakarma , Aditya Sonpal , Johannes Hachmann

Fairness of machine learning models in healthcare has drawn increasing attention from clinicians, researchers, and even at the highest level of government. On the other hand, the importance of developing and deploying interpretable or…

Machine Learning · Computer Science 2024-09-04 Mary M. Lucas , Xiaoyang Wang , Chia-Hsuan Chang , Christopher C. Yang , Jacqueline E. Braughton , Quyen M. Ngo

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…

Artificial Intelligence models are becoming increasingly more powerful and accurate, supporting or even replacing humans' decision making. But with increased power and accuracy also comes higher complexity, making it hard for users to…

Artificial Intelligence · Computer Science 2019-07-10 Vivian S. Silva , André Freitas , Siegfried Handschuh

Although a recent shift has been made in the field of predictive process monitoring to use models from the explainable artificial intelligence field, the evaluation still occurs mainly through performance-based metrics, thus not accounting…

Machine Learning · Computer Science 2023-08-01 Alexander Stevens , Johannes De Smedt

Despite the growing body of work in interpretable machine learning, it remains unclear how to evaluate different explainability methods without resorting to qualitative assessment and user-studies. While interpretability is an inherently…

Machine Learning · Computer Science 2020-07-16 An-phi Nguyen , María Rodríguez Martínez

Measurements are fundamental to knowledge creation in science, enabling consistent sharing of findings and serving as the foundation for scientific discovery. As machine learning systems increasingly transform scientific fields, the…

Materials Science · Physics 2025-05-07 Nawaf Alampara , Mara Schilling-Wilhelmi , Kevin Maik Jablonka

Although deep reinforcement learning has become a promising machine learning approach for sequential decision-making problems, it is still not mature enough for high-stake domains such as autonomous driving or medical applications. In such…

Machine Learning · Computer Science 2022-02-25 Claire Glanois , Paul Weng , Matthieu Zimmer , Dong Li , Tianpei Yang , Jianye Hao , Wulong Liu

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We…

Machine Learning · Computer Science 2024-01-01 Hugo Henri Joseph Senetaire , Damien Garreau , Jes Frellsen , Pierre-Alexandre Mattei

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…

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

Deep learning continues to revolutionize an ever-growing number of critical application areas including healthcare, transportation, finance, and basic sciences. Despite their increased predictive power, model transparency and human…

Machine Learning · Computer Science 2020-04-28 Benjamin Shickel , Parisa Rashidi

Interpretation of deep learning models is a very challenging problem because of their large number of parameters, complex connections between nodes, and unintelligible feature representations. Despite this, many view interpretability as a…

Machine Learning · Computer Science 2021-03-05 Michael Tsang , James Enouen , Yan Liu

During a research project in which we developed a machine learning (ML) driven visualization system for non-ML experts, we reflected on interpretability research in ML, computer-supported collaborative work and human-computer interaction.…

Human-Computer Interaction · Computer Science 2022-01-19 Jesse Josua Benjamin , Christoph Kinkeldey , Claudia Müller-Birn , Tim Korjakow , Eva-Maria Herbst

Machine Learning Interatomic Potentials play a fundamental role in computational chemistry and materials science, enabling applications from molecular dynamics simulations to drug design and materials discovery. While recent approaches can…

Machine Learning · Computer Science 2026-05-12 Amir Masoud Nourollah , Irtaza Khalid , Stefano Leoni , Steven Schockaert

In this study, we present a novel clinical decision support system and discuss its interpretability-related properties. It combines a decision set of rules with a machine learning scheme to offer global and local interpretability. More…

Methodology · Statistics 2021-07-16 Francisco Valente , Simão Paredes , Jorge Henriques

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

Machine Learning · Computer Science 2024-12-17 Maximilian P Niroomand , David J Wales