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Explainable machine learning (ML) enables human learning from ML, human appeal of automated model decisions, regulatory compliance, and security audits of ML models. Explainable ML (i.e. explainable artificial intelligence or XAI) has been…

Machine Learning · Statistics 2019-12-03 Patrick Hall , Navdeep Gill , Nicholas Schmidt

Background: Despite the current ubiquity of Large Language Models (LLMs) across the medical domain, there is a surprising lack of studies which address their reasoning behaviour. We emphasise the importance of understanding reasoning…

Computation and Language · Computer Science 2025-07-29 Shamus Sim , Tyrone Chen

The integration of artificial intelligence (AI) into medicine is remarkable, offering advanced diagnostic and therapeutic possibilities. However, the inherent opacity of complex AI models presents significant challenges to their clinical…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Binbin Wen , Yihang Wu , Tareef Daqqaq , Ahmad Chaddad

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Industrial Cyber-Physical Systems (CPS) are sensitive infrastructure from both safety and economics perspectives, making their reliability critically important. Machine Learning (ML), specifically deep learning, is increasingly integrated…

Machine Learning · Computer Science 2026-04-09 Annemarie Jutte , Uraz Odyurt

Deep learning models are one of the security strategies, trained on extensive datasets, and play a critical role in detecting and responding to these threats by recognizing complex patterns in malicious code. However, the opaque nature of…

Cryptography and Security · Computer Science 2025-08-15 Richa Dasila , Vatsala Upadhyay , Samo Bobek , Abhishek Vaish

Artificial intelligence has become pervasive across disciplines and fields, and biomedical image and signal processing is no exception. The growing and widespread interest on the topic has triggered a vast research activity that is…

Machine Learning · Computer Science 2022-07-12 Guang Yang , Arvind Rao , Christine Fernandez-Maloigne , Vince Calhoun , Gloria Menegaz

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Chao Wang , Hehe Fan , Ruijie Quan , Yi Yang

In recent years, Explainable AI (xAI) attracted a lot of attention as various countries turned explanations into a legal right. xAI allows for improving models beyond the accuracy metric by, e.g., debugging the learned pattern and…

Software Engineering · Computer Science 2022-10-05 Mohamed Karim Belaid , Eyke Hüllermeier , Maximilian Rabus , Ralf Krestel

Recent advances in large language models (LLMs) have highlighted the effectiveness of chain-of-thought reasoning in symbolic domains such as mathematics and programming. However, our study shows that directly transferring such text-based…

Artificial Intelligence · Computer Science 2026-03-06 Chuanliu Fan , Zicheng Ma , Huanran Meng , Aijia Zhang , Wenjie Du , Jun Zhang , Yi Qin Gao , Ziqiang Cao , Guohong Fu

Existing tasks fall short in evaluating reasoning ability of Large Language Models (LLMs) in an interactive, unknown environment. This deficiency leads to the isolated assessment of deductive, inductive, and abductive reasoning, neglecting…

Artificial Intelligence · Computer Science 2026-05-07 Congchi Yin , Tianyi Wu , Yankai Shu , Alex Gu , Yunhan Wang , Jun Shao , Xun Jiang , Piji Li

While there has been a recent explosion of work on ExplainableAI ExAI on deep models that operate on imagery and tabular data, textual datasets present new challenges to the ExAI community. Such challenges can be attributed to the lack of…

Computation and Language · Computer Science 2022-10-14 Julia El Zini , Mariette Awad

The absence of transparency and explainability hinders the clinical adoption of Machine learning (ML) algorithms. Although various methods of explainable artificial intelligence (XAI) have been suggested, there is a lack of literature that…

Machine Learning · Computer Science 2023-06-22 Aida Brankovic , David Cook , Jessica Rahman , Wenjie Huang , Sankalp Khanna

eXplainable artificial intelligence (XAI) methods have emerged to convert the black box of machine learning (ML) models into a more digestible form. These methods help to communicate how the model works with the aim of making ML models more…

EXplainable Artificial Intelligence (XAI) is a vibrant research topic in the artificial intelligence community, with growing interest across methods and domains. Much has been written about the subject, yet XAI still lacks shared…

Artificial Intelligence · Computer Science 2023-06-16 Matteo Rizzo , Alberto Veneri , Andrea Albarelli , Claudio Lucchese , Marco Nobile , Cristina Conati

Artificial intelligence (AI) is increasingly permeating healthcare, from physician assistants to consumer applications. Since AI algorithm's opacity challenges human interaction, explainable AI (XAI) addresses this by providing AI…