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Several moving target defenses (MTDs) to counter adversarial ML attacks have been proposed in recent years. MTDs claim to increase the difficulty for the attacker in conducting attacks by regularly changing certain elements of the defense,…

Machine Learning · Computer Science 2023-02-22 Aqib Rashid , Jose Such

Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional relationships between them, and integrate multi-omic datasets…

Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to lead optimization. Yet a fundamental limitation emerges:…

Biomolecules · Quantitative Biology 2025-12-18 Wissam Karroucha , Carlos Oliver , Veronique Stoven , Vincent Mallet

Artificial Intelligence (AI) and infectious diseases prediction have recently experienced a common development and advancement. Machine learning (ML) apparition, along with deep learning (DL) emergence, extended many approaches against…

Machine Learning · Computer Science 2025-01-29 Selestine Melchane , Youssef Elmir , Farid Kacimi , Larbi Boubchir

Acute Myeloid Leukemia (AML) is one of the most aggressive types of hematological neoplasm. To support the specialists' decision about the appropriate therapy, patients with AML receive a prognostic of outcomes according to their…

Machine Learning · Computer Science 2024-05-30 Jade M. Almeida , Giovanna A. Castro , João A. Machado-Neto , Tiago A. Almeida

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

Scientific progress is tightly coupled to the emergence of new research tools. Today, machine learning (ML)-especially deep learning (DL)-has become a transformative instrument for quantum science and technology. Owing to the intrinsic…

Quantum Physics · Physics 2025-08-15 Timothy Heightman , Marcin Płodzień

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Emerging Technologies · Computer Science 2022-12-23 Sasitharan Balasubramaniam , Samitha Somathilaka , Sehee Sun , Adrian Ratwatte , Massimiliano Pierobon

In spite of the strong performance of machine learning (ML) models in radiology, they have not been widely accepted by radiologists, limiting clinical integration. A key reason is the lack of explainability, which ensures that model…

Human-Computer Interaction · Computer Science 2026-04-14 Sara Ketabi , Matthias W. Wagner , Birgit Betina Ertl-Wagner , Greg A. Jamieson , Farzad Khalvati

The Research & Development (R&D) phase of drug development is a lengthy and costly process. To revolutionize this process, we introduce our new concept QMLS to shorten the whole R&D phase to three to six months and decrease the cost to…

Biomolecules · Quantitative Biology 2024-09-06 Yifan Zhou , Yan Shing Liang , Yew Kee Wong , Haichuan Qiu , Yu Xi Wu , Bin He

Materials design and development typically takes several decades from the initial discovery to commercialization with the traditional trial and error development approach. With the accumulation of data from both experimental and…

Materials Science · Physics 2017-07-18 Xiaojiao Yu

Machine Learning (ML) is being used in multiple disciplines due to its powerful capability to infer relationships within data. In particular, Software Engineering (SE) is one of those disciplines in which ML has been used for multiple…

Software Engineering · Computer Science 2023-01-30 Anamaria Mojica-Hanke , Andrea Bayona , Mario Linares-Vásquez , Steffen Herbold , Fabio A. González

First-principles computations are the driving force behind numerous discoveries of hydride-based superconductors, mostly at high pressures, during the last decade. Machine-learning (ML) approaches can further accelerate the future…

Superconductivity · Physics 2023-06-01 Huan Tran , Tuoc N. Vu

Malicious software (malware) is a major cyber threat that has to be tackled with Machine Learning (ML) techniques because millions of new malware examples are injected into cyberspace on a daily basis. However, ML is vulnerable to attacks…

Cryptography and Security · Computer Science 2021-11-30 Deqiang Li , Qianmu Li , Yanfang Ye , Shouhuai Xu

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…

Recently, Machine Learning (ML) methods are built-in as an important component in many smart agriculture platforms. In this paper, we explore the new combination of advanced ML methods for creating a smart agriculture platform where farmers…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Aswath Muthuselvam , S. Sowdeshwar , M. Saravanan , Satheesh K. Perepu

Growth in system complexity increases the need for automated log analysis techniques, such as Log-based Anomaly Detection (LAD). While deep learning (DL) methods have been widely used for LAD, traditional machine learning (ML) techniques…

Software Engineering · Computer Science 2025-06-24 Shan Ali , Chaima Boufaied , Domenico Bianculli , Paula Branco , Lionel Briand

Microelectronic design verification remains a critical bottleneck in device development, traditionally mitigated by expanding verification teams and computational resources. Since the late 1990s, machine learning (ML) has been proposed to…

Hardware Architecture · Computer Science 2025-03-18 Christopher Bennett , Kerstin Eder

Context: Machine learning (ML) may enable effective automated test generation. Objective: We characterize emerging research, examining testing practices, researcher goals, ML techniques applied, evaluation, and challenges. Methods: We…

Software Engineering · Computer Science 2023-04-18 Afonso Fontes , Gregory Gay