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Ion Beam Analysis (IBA) is an established tool for material characterization, providing precise information on elemental composition, depth profiles, and structural information in the region near the surface of materials. However,…

Materials Science · Physics 2025-02-21 Tiago Fiorini da Silva

Machine Learning (ML) is currently being exploited in numerous applications being one of the most effective Artificial Intelligence (AI) technologies, used in diverse fields, such as vision, autonomous systems, and alike. The trend…

Machine Learning · Computer Science 2024-05-31 Cristiana Bolchini , Luca Cassano , Antonio Miele

At the intersection of machine learning and quantum computing, Quantum Machine Learning (QML) has the potential of accelerating data analysis, especially for quantum data, with applications for quantum materials, biochemistry, and…

Quantum Physics · Physics 2023-03-17 M. Cerezo , Guillaume Verdon , Hsin-Yuan Huang , Lukasz Cincio , Patrick J. Coles

This tutorial intends to introduce readers with a background in AI to quantum machine learning (QML) -- a rapidly evolving field that seeks to leverage the power of quantum computers to reshape the landscape of machine learning. For…

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Event generators in high-energy nuclear and particle physics play an important role in facilitating studies of particle reactions. We survey the state-of-the-art of machine learning (ML) efforts at building physics event generators. We…

High Energy Physics - Phenomenology · Physics 2021-12-30 Yasir Alanazi , N. Sato , Pawel Ambrozewicz , Astrid N. Hiller Blin , W. Melnitchouk , Marco Battaglieri , Tianbo Liu , Yaohang Li

Machine Learning (ML) represents a pivotal technology for current and future information systems, and many domains already leverage the capabilities of ML. However, deployment of ML in cybersecurity is still at an early stage, revealing a…

Machine learning (ML) has become a vital part in many aspects of our daily life. However, building well performing machine learning applications requires highly specialized data scientists and domain experts. Automated machine learning…

Machine Learning · Computer Science 2021-01-27 Marc-André Zöller , Marco F. Huber

Fostered by novel analytical techniques, digitalization and automation, modern bioprocess development provides high amounts of heterogeneous experimental data, containing valuable process information. In this context, data-driven methods…

Machine Learning · Computer Science 2022-10-06 Laura Marie Helleckes , Johannes Hemmerich , Wolfgang Wiechert , Eric von Lieres , Alexander Grünberger

Acoustic data provide scientific and engineering insights in fields ranging from biology and communications to ocean and Earth science. We survey the recent advances and transformative potential of machine learning (ML), including deep…

Signal Processing · Electrical Eng. & Systems 2019-12-03 Michael J. Bianco , Peter Gerstoft , James Traer , Emma Ozanich , Marie A. Roch , Sharon Gannot , Charles-Alban Deledalle

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

As big data becomes ubiquitous across domains, and more and more stakeholders aspire to make the most of their data, demand for machine learning tools has spurred researchers to explore the possibilities of automated machine learning…

Machine learning (ML) and artificial intelligence (AI) have become hot topics in many information processing areas, from chatbots to scientific data analysis. At the same time, there is uncertainty about the possibility of extending…

Artificial Intelligence · Computer Science 2018-06-08 Abel Torres Montoya

This literature review presents a comprehensive overview of machine learning (ML) applications in proton magnetic resonance spectroscopy (MRS). As the use of ML techniques in MRS continues to grow, this review aims to provide the MRS…

Machine learning (ML) models deployed in many safety- and business-critical systems are vulnerable to exploitation through adversarial examples. A large body of academic research has thoroughly explored the causes of these blind spots,…

Cryptography and Security · Computer Science 2020-07-15 Ivan Evtimov , Weidong Cui , Ece Kamar , Emre Kiciman , Tadayoshi Kohno , Jerry Li

The commissioning and operation of future large-scale scientific experiments will challenge current tuning and control methods. Reinforcement learning (RL) algorithms are a promising solution thanks to their capability of autonomously…

Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…

Biomolecules · Quantitative Biology 2025-07-11 Fabio Herrera-Rocha , David Medina-Ortiz , Fabian Mauz , Juergen Pleiss , Mehdi D. Davari

The global need for effective disease diagnosis remains substantial, given the complexities of various disease mechanisms and diverse patient symptoms. To tackle these challenges, researchers, physicians, and patients are turning to machine…

Machine Learning · Computer Science 2023-10-27 S M Atikur Rahman , Sifat Ibtisum , Ehsan Bazgir , Tumpa Barai

This article presents a primer/overview of applications of Artificial Intelligence and Machine Learning (AI/ML) techniques to address problems in the domain of computer networking. In particular, the techniques have been used to support…

Networking and Internet Architecture · Computer Science 2021-06-01 Krishna M. Sivalingam