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Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

We study model-agnostic copies of machine learning classifiers. We develop the theory behind the problem of copying, highlighting its differences with that of learning, and propose a framework to copy the functionality of any classifier…

Machine Learning · Computer Science 2020-01-13 Irene Unceta , Jordi Nin , Oriol Pujol

Predictive models are being increasingly used to support consequential decision making at the individual level in contexts such as pretrial bail and loan approval. As a result, there is increasing social and legal pressure to provide…

Machine Learning · Computer Science 2020-03-02 Amir-Hossein Karimi , Gilles Barthe , Borja Balle , Isabel Valera

Black box models in machine learning have demonstrated excellent predictive performance in complex problems and high-dimensional settings. However, their lack of transparency and interpretability restrict the applicability of such models in…

Machine Learning · Computer Science 2020-06-09 Numair Sani , Jaron Lee , Razieh Nabi , Ilya Shpitser

The widespread use of deep neural networks has achieved substantial success in many tasks. However, there still exists a huge gap between the operating mechanism of deep learning models and human-understandable decision making, so that…

Artificial Intelligence · Computer Science 2021-03-08 Xiaowei Zhou , Jie Yin , Ivor Tsang , Chen Wang

Interpretability is a critical factor in applying complex deep learning models to advance the understanding of brain disorders in neuroimaging studies. To interpret the decision process of a trained classifier, existing techniques typically…

Image and Video Processing · Electrical Eng. & Systems 2021-06-29 Zixuan Liu , Ehsan Adeli , Kilian M. Pohl , Qingyu Zhao

Model interpretability is a key challenge that has yet to align with the advancements observed in contemporary state-of-the-art deep learning models. In particular, deep learning aided vision tasks require interpretability, in order for…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Pathirage N. Deelaka , Tharindu Wickremasinghe , Devin Y. De Silva , Lisara N. Gajaweera

Lending decisions are usually made with proprietary models that provide minimally acceptable explanations to users. In a future world without such secrecy, what decision support tools would one want to use for justified lending decisions?…

Machine Learning · Computer Science 2021-06-07 Chaofan Chen , Kangcheng Lin , Cynthia Rudin , Yaron Shaposhnik , Sijia Wang , Tong Wang

This paper investigates the user experience of visualizations of a machine learning (ML) system that recognizes objects in images. This is important since even good systems can fail in unexpected ways as misclassifications on photo-sharing…

Human-Computer Interaction · Computer Science 2020-08-06 Hendrik Heuer , Andreas Breiter

Since early machine learning models, metrics such as accuracy and precision have been the de facto way to evaluate and compare trained models. However, a single metric number doesn't fully capture the similarities and differences between…

Computer Vision and Pattern Recognition · Computer Science 2022-08-02 Ahmad Mustapha , Wael Khreich , Wes Masri

In this paper, we propose a learning algorithm that enables a model to quickly exploit commonalities among related tasks from an unseen task distribution, before quickly adapting to specific tasks from that same distribution. We investigate…

Machine Learning · Computer Science 2021-07-21 Arnout Devos , Yatin Dandi

The adoption of artificial intelligence (AI) across industries has led to the widespread use of complex black-box models and interpretation tools for decision making. This paper proposes an adversarial framework to uncover the vulnerability…

Machine Learning · Computer Science 2024-05-02 Xi Xin , Giles Hooker , Fei Huang

Due to their powerful feature association capabilities, neural network-based computer vision models have the ability to detect and exploit unintended patterns within the data, potentially leading to correct predictions based on incorrect or…

Computer Vision and Pattern Recognition · Computer Science 2025-09-05 Solha Kang , Esla Timothy Anzaku , Wesley De Neve , Arnout Van Messem , Joris Vankerschaver , Francois Rameau , Utku Ozbulak

Model interpretation is one of the key aspects of the model evaluation process. The explanation of the relationship between model variables and outputs is relatively easy for statistical models, such as linear regressions, thanks to the…

Machine Learning · Computer Science 2013-12-05 Anna Palczewska , Jan Palczewski , Richard Marchese Robinson , Daniel Neagu

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…

Artificial Intelligence · Computer Science 2017-11-02 Julia Ling , Maxwell Hutchinson , Erin Antono , Brian DeCost , Elizabeth A. Holm , Bryce Meredig

The thesis explores the role machine learning methods play in creating intuitive computational models of neural processing. Combined with interpretability techniques, machine learning could replace human modeler and shift the focus of human…

Neurons and Cognition · Quantitative Biology 2020-10-20 Ilya Kuzovkin

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

The use of sophisticated machine learning models for critical decision making is faced with a challenge that these models are often applied as a "black-box". This has led to an increased interest in interpretable machine learning, where…

Artificial Intelligence · Computer Science 2020-07-22 Catarina Moreira , Yu-Liang Chou , Mythreyi Velmurugan , Chun Ouyang , Renuka Sindhgatta , Peter Bruza

Mechanistic interpretability aims to reverse engineer the computation performed by a neural network in terms of its internal components. Although there is a growing body of research on mechanistic interpretation of neural networks, the…

Machine Learning · Computer Science 2025-06-24 Nils Palumbo , Ravi Mangal , Zifan Wang , Saranya Vijayakumar , Corina S. Pasareanu , Somesh Jha

This paper proposes inverse feature learning as a novel supervised feature learning technique that learns a set of high-level features for classification based on an error representation approach. The key contribution of this method is to…

Machine Learning · Computer Science 2020-03-10 Behzad Ghazanfari , Fatemeh Afghah , MohammadTaghi Hajiaghayi