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Understanding the predictions made by deep learning models remains a central challenge, especially in high-stakes applications. A promising approach is to equip models with the ability to answer counterfactual questions -- hypothetical…

Machine Learning · Computer Science 2025-10-28 Inwoo Hwang , Yushu Pan , Elias Bareinboim

The lack of interpretability and transparency are preventing economists from using advanced tools like neural networks in their empirical research. In this paper, we propose a class of interpretable neural network models that can achieve…

Econometrics · Economics 2020-12-01 Yucheng Yang , Zhong Zheng , Weinan E

Large Language Models (LLMs) are becoming increasingly popular in pervasive computing due to their versatility and strong performance. However, despite their ubiquitous use, the exact mechanisms underlying their outstanding performance…

Computation and Language · Computer Science 2026-02-02 Alhassan Abdelhalim , Janick Edinger , Sören Laue , Michaela Regneri

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

This paper claims that machine learning models deployed in high stakes domains such as medicine must be interpretable, shareable, reproducible and accountable. We argue that these principles should form the foundational design criteria for…

Machine Learning · Computer Science 2025-08-25 Ayyüce Begüm Bektaş , Mithat Gönen

Despite widespread adoption, machine learning models remain mostly black boxes. Understanding the reasons behind predictions is, however, quite important in assessing trust, which is fundamental if one plans to take action based on a…

Machine Learning · Computer Science 2016-08-10 Marco Tulio Ribeiro , Sameer Singh , Carlos Guestrin

Machine learning methods have been remarkably successful in material science, providing novel scientific insights, guiding future laboratory experiments, and accelerating materials discovery. Despite the promising performance of these…

Machine Learning · Computer Science 2024-11-04 Sichao Li , Xin Wang , Amanda Barnard

Most existing interpretable methods explain a black-box model in a post-hoc manner, which uses simpler models or data analysis techniques to interpret the predictions after the model is learned. However, they (a) may derive contradictory…

Machine Learning · Computer Science 2020-01-22 Mengzhuo Guo , Qingpeng Zhang , Xiuwu Liao , Daniel Dajun Zeng

Trustworthy machine learning is driving a large number of ML community works in order to improve ML acceptance and adoption. The main aspect of trustworthy machine learning are the followings: fairness, uncertainty, robustness,…

Machine Learning · Computer Science 2022-07-08 Gregory Scafarto , Nicolas Posocco , Antoine Bonnefoy

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing…

As machine learning is increasingly deployed in high-stakes contexts affecting people's livelihoods, there have been growing calls to open the black box and to make machine learning algorithms more explainable. Providing useful explanations…

Computers and Society · Computer Science 2020-07-13 Umang Bhatt , McKane Andrus , Adrian Weller , Alice Xiang

Automated Machine Learning-based systems' integration into a wide range of tasks has expanded as a result of their performance and speed. Although there are numerous advantages to employing ML-based systems, if they are not interpretable,…

Machine Learning · Computer Science 2022-12-08 Ioannis Mollas , Nick Bassiliades , Grigorios Tsoumakas

Explainable machine learning offers the potential to provide stakeholders with insights into model behavior by using various methods such as feature importance scores, counterfactual explanations, or influential training data. Yet there is…

Causal machine learning tools are beginning to see use in real-world policy evaluation tasks to flexibly estimate treatment effects. One issue with these methods is that the machine learning models used are generally black boxes, i.e.,…

Machine Learning · Computer Science 2024-04-01 Patrick Rehill , Nicholas Biddle

In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design of anticancer metallodrugs. While conventional laboratory…

While Large Language Models (LLMs) have achieved strong performance across many NLP tasks, their opaque internal mechanisms hinder trustworthiness and safe deployment. Existing surveys in explainable AI largely focus on post-hoc explanation…

Computation and Language · Computer Science 2026-04-21 Yutong Gao , Qinglin Meng , Yuan Zhou , Liangming Pan

Explainability is highly-desired in Machine Learning (ML) systems supporting high-stakes policy decisions in areas such as health, criminal justice, education, and employment. While the field of explainable ML has expanded in recent years,…

Machine Learning · Computer Science 2023-02-21 Kasun Amarasinghe , Kit Rodolfa , Hemank Lamba , Rayid Ghani

There has been a large number of studies in interpretable and explainable ML for cybersecurity, in particular, for intrusion detection. Many of these studies have significant amount of overlapping and repeated evaluations and analysis. At…

Cryptography and Security · Computer Science 2024-07-08 Omer Subasi , Johnathan Cree , Joseph Manzano , Elena Peterson

The increasing availability of large collections of electronic health record (EHR) data and unprecedented technical advances in deep learning (DL) have sparked a surge of research interest in developing DL based clinical decision support…

Machine Learning · Computer Science 2021-12-07 Di Jin , Elena Sergeeva , Wei-Hung Weng , Geeticka Chauhan , Peter Szolovits

Machine learning is permeating every conceivable domain to promote data-driven decision support. The focus is often on advanced black-box models due to their assumed performance advantages, whereas interpretable models are often associated…

Machine Learning · Computer Science 2024-09-24 Sven Kruschel , Nico Hambauer , Sven Weinzierl , Sandra Zilker , Mathias Kraus , Patrick Zschech