English
Related papers

Related papers: Explainability Techniques for Chemical Language Mo…

200 papers

Despite outstanding contribution to the significant progress of Artificial Intelligence (AI), deep learning models remain mostly black boxes, which are extremely weak in explainability of the reasoning process and prediction results.…

Machine Learning · Computer Science 2020-02-11 Sheng Shi , Xinfeng Zhang , Wei Fan

A multitude of explainability methods and associated fidelity performance metrics have been proposed to help better understand how modern AI systems make decisions. However, much of the current work has remained theoretical -- without much…

Computer Vision and Pattern Recognition · Computer Science 2023-02-01 Julien Colin , Thomas Fel , Remi Cadene , Thomas Serre

Providing user-understandable explanations to justify recommendations could help users better understand the recommended items, increase the system's ease of use, and gain users' trust. A typical approach to realize it is natural language…

Information Retrieval · Computer Science 2023-01-16 Lei Li , Yongfeng Zhang , Li Chen

A major challenge in Explainable AI is in correctly interpreting activations of hidden neurons: accurate interpretations would help answer the question of what a deep learning system internally detects as relevant in the input, demystifying…

Artificial Intelligence · Computer Science 2026-02-23 Abhilekha Dalal , Rushrukh Rayan , Adrita Barua , Eugene Y. Vasserman , Md Kamruzzaman Sarker , Pascal Hitzler

Interpretable representations are the backbone of many explainers that target black-box predictive systems based on artificial intelligence and machine learning algorithms. They translate the low-level data representation necessary for good…

Machine Learning · Computer Science 2024-04-29 Kacper Sokol , Peter Flach

Most of state of the art methods applied on time series consist of deep learning methods that are too complex to be interpreted. This lack of interpretability is a major drawback, as several applications in the real world are critical…

Machine Learning · Computer Science 2021-04-05 Thomas Rojat , Raphaël Puget , David Filliat , Javier Del Ser , Rodolphe Gelin , Natalia Díaz-Rodríguez

Large Language Models have demonstrated remarkable capabilities in natural language processing, yet their decision-making processes often lack transparency. This opaqueness raises significant concerns regarding trust, bias, and model…

Explainable AI aims to render model behavior understandable by humans, which can be seen as an intermediate step in extracting causal relations from correlative patterns. Due to the high risk of possible fatal decisions in image-based…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Lukas Klein , João B. S. Carvalho , Mennatallah El-Assady , Paolo Penna , Joachim M. Buhmann , Paul F. Jaeger

Explainable Artificial Intelligence (XAI) is an emerging research field bringing transparency to highly complex and opaque machine learning (ML) models. Despite the development of a multitude of methods to explain the decisions of black-box…

Machine Learning · Computer Science 2022-03-16 Leander Weber , Sebastian Lapuschkin , Alexander Binder , Wojciech Samek

There is a growing concern about typically opaque decision-making with high-performance machine learning algorithms. Providing an explanation of the reasoning process in domain-specific terms can be crucial for adoption in risk-sensitive…

Computer Vision and Pattern Recognition · Computer Science 2022-11-28 Aditya Chattopadhyay , Stewart Slocum , Benjamin D. Haeffele , Rene Vidal , Donald Geman

The impressive capabilities of deep learning models are often counterbalanced by their inherent opacity, commonly termed the "black box" problem, which impedes their widespread acceptance in high-trust domains. In response, the intersecting…

Machine Learning · Computer Science 2025-09-16 Mitali Raj

Explainable AI (XAI) is paramount in industry-grade AI; however existing methods fail to address this necessity, in part due to a lack of standardisation of explainability methods. The purpose of this paper is to offer a perspective on the…

Machine Learning · Computer Science 2020-10-26 Othman Benchekroun , Adel Rahimi , Qini Zhang , Tetiana Kodliuk

The calculation of reactive properties is a challenging task in chemical reaction discovery. Machine learning (ML) methods play an important role in accelerating electronic structure predictions of activation energies and reaction…

Chemical Physics · Physics 2025-05-02 Joe Gilkes , Mark Storr , Reinhard J. Maurer , Scott Habershon

Designing and implementing explainable systems is seen as the next step towards increasing user trust in, acceptance of and reliance on Artificial Intelligence (AI) systems. While explaining choices made by black-box algorithms such as…

Multiagent Systems · Computer Science 2022-08-23 Sharadhi Alape Suryanarayana , David Sarne , Sarit Kraus

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

Human understandable explanation of deep learning models is essential for various critical and sensitive applications. Unlike image or tabular data where the importance of each input feature (for the classifier's decision) can be directly…

Machine Learning · Computer Science 2025-04-07 Shahbaz Rezaei , Xin Liu

Automated decision making is used routinely throughout our everyday life. Recommender systems decide which jobs, movies, or other user profiles might be interesting to us. Spell checkers help us to make good use of language. Fraud detection…

Machine Learning · Computer Science 2020-07-15 Alexander Jung , Pedro H. J. Nardelli

Despite the wide use of explainability techniques to attempt to understand the behavior of Artificial Intelligence (AI), the generated explanations may not always be reliable. An explanation can appear plausible to humans but fail to…

Machine Learning · Computer Science 2026-05-28 Tomás Pereira , João Vitorino , Eva Maia , Isabel Praça

We discuss our insights into interpretable artificial-intelligence (AI) models, and how they are essential in the context of developing ethical AI systems, as well as data-driven solutions compliant with the Sustainable Development Goals…

Machine Learning · Computer Science 2021-08-25 Ricardo Vinuesa , Beril Sirmacek

In the world of medical diagnostics, the adoption of various deep learning techniques is quite common as well as effective, and its statement is equally true when it comes to implementing it into the retina Optical Coherence Tomography…

Image and Video Processing · Electrical Eng. & Systems 2022-03-03 Tasnim Sakib Apon , Mohammad Mahmudul Hasan , Abrar Islam , MD. Golam Rabiul Alam