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Machine learning accelerates molecular property prediction, yet state-of-the-art Large Language Models and Graph Neural Networks operate as black boxes. In drug discovery, where safety is critical, this opacity risks masking false…

Machine Learning · Computer Science 2026-03-03 Oscar Rivera , Ziqing Wang , Matthieu Dagommer , Abhishek Pandey , Kaize Ding

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

As the use of deep learning techniques has grown across various fields over the past decade, complaints about the opaqueness of the black-box models have increased, resulting in an increased focus on transparency in deep learning models.…

Computation and Language · Computer Science 2024-03-19 Siwen Luo , Hamish Ivison , Caren Han , Josiah Poon

The era of Large Language Models (LLMs) presents a new opportunity for interpretability--agentic interpretability: a multi-turn conversation with an LLM wherein the LLM proactively assists human understanding by developing and leveraging a…

Artificial Intelligence · Computer Science 2025-06-17 Been Kim , John Hewitt , Neel Nanda , Noah Fiedel , Oyvind Tafjord

We present the Explabox: an open-source toolkit for transparent and responsible machine learning (ML) model development and usage. Explabox aids in achieving explainable, fair and robust models by employing a four-step strategy: explore,…

Machine Learning · Computer Science 2024-11-26 Marcel Robeer , Michiel Bron , Elize Herrewijnen , Riwish Hoeseni , Floris Bex

Interpretable machine learning (IML) becomes increasingly important in highly regulated industry sectors related to the health and safety or fundamental rights of human beings. In general, the inherently IML models should be adopted because…

Machine Learning · Computer Science 2021-11-03 Agus Sudjianto , Aijun Zhang

Explainable machine learning (XML) has emerged as a major challenge in artificial intelligence (AI). Although black-box models such as Deep Neural Networks and Gradient Boosting often exhibit exceptional predictive accuracy, their lack of…

Methodology · Statistics 2024-06-18 Evgenii Kuriabov , Jia Li

Users in many domains use machine learning (ML) predictions to help them make decisions. Effective ML-based decision-making often requires explanations of ML models and their predictions. While there are many algorithms that explain models,…

Machine Learning · Computer Science 2023-12-21 Alexandra Zytek , Wei-En Wang , Dongyu Liu , Laure Berti-Equille , Kalyan Veeramachaneni

Machine learning (ML) interpretability techniques can reveal undesirable patterns in data that models exploit to make predictions--potentially causing harms once deployed. However, how to take action to address these patterns is not always…

ML model design either starts with an interpretable model or a Blackbox and explains it post hoc. Blackbox models are flexible but difficult to explain, while interpretable models are inherently explainable. Yet, interpretable models…

Machine Learning · Computer Science 2023-07-13 Shantanu Ghosh , Ke Yu , Forough Arabshahi , Kayhan Batmanghelich

Explainability for Large Language Models (LLMs) is a critical yet challenging aspect of natural language processing. As LLMs are increasingly integral to diverse applications, their "black-box" nature sparks significant concerns regarding…

Computation and Language · Computer Science 2024-02-23 Haoyan Luo , Lucia Specia

Interpretable Machine Learning (IML) has become increasingly important in many real-world applications, such as autonomous cars and medical diagnosis, where explanations are significantly preferred to help people better understand how…

Machine Learning · Computer Science 2019-08-19 Fan Yang , Mengnan Du , Xia Hu

Neural NLP models are increasingly accurate but are imperfect and opaque---they break in counterintuitive ways and leave end users puzzled at their behavior. Model interpretation methods ameliorate this opacity by providing explanations for…

Computation and Language · Computer Science 2019-09-23 Eric Wallace , Jens Tuyls , Junlin Wang , Sanjay Subramanian , Matt Gardner , Sameer Singh

Pretrained transformer-based Language Models (LMs) are well-known for their ability to achieve significant improvement on NLP tasks, but their black-box nature, which leads to a lack of interpretability, has been a major concern. My…

Computation and Language · Computer Science 2024-12-06 Ximing Wen

Machine learning (ML) models have been applied to a wide range of natural language processing (NLP) tasks in recent years. In addition to making accurate decisions, the necessity of understanding how models make their decisions has become…

Computation and Language · Computer Science 2023-11-02 Sean Xie , Soroush Vosoughi , Saeed Hassanpour

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

In machine learning algorithm design, there exists a trade-off between the interpretability and performance of the algorithm. In general, algorithms which are simpler and easier for humans to comprehend tend to show worse performance than…

Machine Learning · Computer Science 2024-07-15 Eric M. Vernon , Naoki Masuyama , Yusuke Nojima

High-throughput technologies such as next generation sequencing allow biologists to observe cell function with unprecedented resolution, but the resulting datasets are too large and complicated for humans to understand without the aid of…

Applications · Statistics 2021-10-08 David S. Watson

Complex black-box predictive models may have high performance, but lack of interpretability causes problems like lack of trust, lack of stability, sensitivity to concept drift. On the other hand, achieving satisfactory accuracy of…

Machine Learning · Computer Science 2020-02-12 Alicja Gosiewska , Przemyslaw Biecek

Mechanistic interpretability seeks to understand the neural mechanisms that enable specific behaviors in Large Language Models (LLMs) by leveraging causality-based methods. While these approaches have identified neural circuits that copy…

Computation and Language · Computer Science 2023-08-29 Vedant Palit , Rohan Pandey , Aryaman Arora , Paul Pu Liang