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This paper presents a systematic literature review (SLR) on the explainability and interpretability of machine learning (ML) models within the context of predictive process mining, using the PRISMA framework. Given the rapid advancement of…

Machine Learning · Computer Science 2024-01-01 Nijat Mehdiyev , Maxim Majlatow , Peter Fettke

Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on…

Machine Learning · Statistics 2025-08-19 Soon Hoe Lim , Yijin Wang , Annan Yu , Emma Hart , Michael W. Mahoney , Xiaoye S. Li , N. Benjamin Erichson

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

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 success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore,…

Plasma Physics · Physics 2024-09-05 Farbod Faraji , Maryam Reza

Neural networks have opened up many new opportunities to utilize remotely sensed images in meteorology. Common applications include image classification, e.g., to determine whether an image contains a tropical cyclone, and image…

Atmospheric and Oceanic Physics · Physics 2020-05-08 Imme Ebert-Uphoff , Kyle A. Hilburn

Embedding artificial intelligence into systems introduces significant challenges to modern engineering practices. Hazard analysis tools and processes have not yet been adequately adapted to the new paradigm. This paper describes initial…

Software Engineering · Computer Science 2022-03-30 Nikolas Martelaro , Carol J. Smith , Tamara Zilovic

Earthquake forecasting remains a significant scientific challenge, with current methods falling short of achieving the performance necessary for meaningful societal benefits. Traditional models, primarily based on past seismicity and…

Geophysics · Physics 2025-02-19 Zhang Ying , Wen Congcong , Sornette Didier , Zhan Chengxiang

Industrial machine learning systems face data challenges that are often under-explored in the academic literature. Common data challenges are data distribution shifts, missing values and anomalies. In this paper, we discuss data challenges…

Machine Learning · Computer Science 2022-03-17 Michael Bohlke-Schneider , Shubham Kapoor , Tim Januschowski

Floods are one of nature's most catastrophic calamities which cause irreversible and immense damage to human life, agriculture, infrastructure and socio-economic system. Several studies on flood catastrophe management and flood forecasting…

Machine learning (ML) provides powerful tools for predictive modeling. ML's popularity stems from the promise of sample-level prediction with applications across a variety of fields from physics and marketing to healthcare. However, if not…

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine…

Chemical Physics · Physics 2024-10-02 Fabian L. Thiemann , Niamh O'Neill , Venkat Kapil , Angelos Michaelides , Christoph Schran

The evaluation of supervised machine learning models is a critical stage in the development of reliable predictive systems. Despite the widespread availability of machine learning libraries and automated workflows, model assessment is often…

Machine Learning · Computer Science 2026-04-16 Xuanyan Liu , Ignacio Cabrera Martin , Marcello Trovati , Xiaolong Xu , Nikolaos Polatidis

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Following the development of digitization, a growing number of large Original Equipment Manufacturers (OEMs) are adapting computer vision or natural language processing in a wide range of applications such as anomaly detection and quality…

Machine Learning · Computer Science 2022-12-07 Qiang Li , Chongyu Zhang

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to…

Machine Learning · Computer Science 2021-01-12 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami

To understand and predict the performance of scientific applications, several analytical and machine learning approaches have been proposed, each having its advantages and disadvantages. In this paper, we propose and validate a hybrid…

Performance · Computer Science 2019-02-27 Huda Ibeid , Siping Meng , Oliver Dobon , Luke Olson , William Gropp

The advancement of machine learning and symbolic approaches have underscored their strengths and weaknesses in Natural Language Processing (NLP). While machine learning approaches are powerful in identifying patterns in data, they often…

Computation and Language · Computer Science 2024-03-19 Rrubaa Panchendrarajan , Arkaitz Zubiaga

Link prediction (LP) is an important problem in network science and machine learning research. The state-of-the-art LP methods are usually evaluated in a uniform setup, ignoring several factors associated with the data and application…

Social and Information Networks · Computer Science 2025-07-21 Bhargavi Kalyani , A Rama Prasad Mathi , Niladri Sett
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