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Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

The interest in Artificial Intelligence (AI) and its applications has seen unprecedented growth in the last few years. The success can be partly attributed to the advancements of deep neural networks made in the sub-fields of AI such as…

Computer Vision and Pattern Recognition · Computer Science 2023-02-20 Xuewen Yang

Active Learning (AL) is a family of machine learning (ML) algorithms that predates the current era of artificial intelligence. Unlike traditional approaches that require labeled samples for training, AL iteratively selects unlabeled samples…

Quantum Physics · Physics 2023-10-31 Yongcheng Ding , José D. Martín-Guerrero , Yolanda Vives-Gilabert , Xi Chen

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on…

Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a structured overview of recent advances that bridge foundational…

Quantum Physics · Physics 2026-02-25 Vinit Singh , Amandeep Singh Bhatia , Mandeep Kaur Saggi , Manas Sajjan , Sabre Kais

In recent years, artificial intelligence (AI) has deeply impacted various fields, including Earth system sciences. Here, AI improved weather forecasting, model emulation, parameter estimation, and the prediction of extreme events. However,…

Artificial intelligence (AI) is transforming not only our daily experiences but also the technological development landscape and scientific research. In this study, we pioneered the application of AI in double-strangeness hypernuclear…

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

Since the mid-10s, the era of Deep Learning (DL) has continued to this day, bringing forth new superlatives and innovations each year. Nevertheless, the speed with which these innovations translate into real applications lags behind this…

Machine Learning · Computer Science 2024-07-09 Saifullah Saifullah , Dominique Mercier , Adriano Lucieri , Andreas Dengel , Sheraz Ahmed

We are used to the availability of big data generated in nearly all fields of science as a consequence of technological progress. However, the analysis of such data possess vast challenges. One of these relates to the explainability of…

Artificial Intelligence · Computer Science 2022-09-14 Frank Emmert-Streib , Olli Yli-Harja , Matthias Dehmer

Recent advances in large language models (LLMs) have opened new avenues for accelerating scientific research. While models are increasingly capable of assisting with routine tasks, their ability to contribute to novel, expert-level…

The field of Explainable Artificial Intelligence (XAI) often focuses on users with a strong technical background, making it challenging for non-experts to understand XAI methods. This paper presents "x-[plAIn]", a new approach to make XAI…

Quantum machine learning (QML) is often listed as a promising candidate for useful applications of quantum computers, in part due to numerous proofs of possible quantum advantages. A central question is how small a role quantum computers…

Quantum Physics · Physics 2026-01-30 Vasily Bokov , Lisa Kohl , Sebastian Schmitt , Vedran Dunjko

Detecting assistance from artificial intelligence is increasingly important as they become ubiquitous across complex tasks such as text generation, medical diagnosis, and autonomous driving. Aid detection is challenging for humans,…

Artificial Intelligence · Computer Science 2025-07-16 Tyler King , Nikolos Gurney , John H. Miller , Volkan Ustun

The field of high-energy physics (HEP), along with many scientific disciplines, is currently experiencing a dramatic influx of new methodologies powered by modern machine learning techniques. Over the last few years, a growing body of HEP…

High Energy Physics - Phenomenology · Physics 2019-10-22 Benjamin Nachman , Chase Shimmin

In this paper I argue that the search for explainable models and interpretable decisions in AI must be reformulated in terms of the broader project of offering a pragmatic and naturalistic account of understanding in AI. Intuitively, the…

Artificial Intelligence · Computer Science 2020-06-23 Andrés Páez

This paper introduces an approach to increasing the explainability of artificial intelligence (AI) systems by embedding Large Language Models (LLMs) within standardized analytical processes. While traditional explainable AI (XAI) methods…

Artificial Intelligence · Computer Science 2025-11-11 Marc Jansen , Marcel Pehlke

In this survey, we address the key challenges in Large Language Models (LLM) research, focusing on the importance of interpretability. Driven by increasing interest from AI and business sectors, we highlight the need for transparency in…

Computation and Language · Computer Science 2024-07-23 Erik Cambria , Lorenzo Malandri , Fabio Mercorio , Navid Nobani , Andrea Seveso

With the availability of large databases and recent improvements in deep learning methodology, the performance of AI systems is reaching or even exceeding the human level on an increasing number of complex tasks. Impressive examples of this…

Artificial Intelligence · Computer Science 2017-08-29 Wojciech Samek , Thomas Wiegand , Klaus-Robert Müller