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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

Automated Machine Learning has grown very successful in automating the time-consuming, iterative tasks of machine learning model development. However, current methods struggle when the data is imbalanced. Since many real-world datasets are…

Machine Learning · Computer Science 2022-11-02 Prabhant Singh , Joaquin Vanschoren

Trained ML models are commonly embedded in optimization problems. In many cases, this leads to large-scale NLPs that are difficult to solve to global optimality. While ML models frequently lead to large problems, they also exhibit…

Optimization and Control · Mathematics 2024-01-17 Artur M. Schweidtmann , Dominik Bongartz , Alexander Mitsos

It involves the completely novel ways of integrating ML algorithms with traditional statistical modelling that has changed the way we analyze data, do predictive analytics or make decisions in the fields of the data. In this paper, we study…

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

This paper details the machine learning (ML) journey of a group of people focused on software testing. It tells the story of how this group progressed through a ML workflow (similar to the CRISP-DM process). This workflow consists of the…

Software Engineering · Computer Science 2025-07-31 Michael Cohoon , Debbie Furman

Recent achievements in machine learning (Ml) have had a significant impact on various fields, including climate science. Climate modeling is very important and plays a crucial role in shaping the decisions of governments and individuals in…

Image and Video Processing · Electrical Eng. & Systems 2023-11-17 Ahmed Elsayed , Shrouk Wally , Islam Alkabbany , Asem Ali , Aly Farag

Machine Learning (ML) is a common tool to interpret and predict the behavior of distributed computing systems, e.g., to optimize the task distribution between devices. As more and more data is created by Internet of Things (IoT) devices,…

Systems and Control · Electrical Eng. & Systems 2023-11-20 Boris Sedlak , Victor Casamayor Pujol , Praveen Kumar Donta , Schahram Dustdar

Additive models (AMs) have sparked a lot of interest in machine learning recently, allowing the incorporation of interpretable structures into a wide range of model classes. Many commonly used approaches to fit a wide variety of potentially…

Machine Learning · Computer Science 2025-10-23 Rickmer Schulte , David Rügamer

This paper critically examines the machine learning (ML) modeling of humans in three case studies of well-being technologies. Through a critical technical approach, it examines how these apps were experienced in daily life (technology in…

Human-Computer Interaction · Computer Science 2025-03-26 Jichen Zhu , Pedro Sanches , Vasiliki Tsaknaki , Willem van der Maden , Irene Kaklopoulou

Machine learning (ML) is often viewed as a black-box regression technique that is unable to provide considerable scientific insight. ML models are universal function approximators and - if used correctly - can provide scientific information…

Machine learning (ML) is increasingly being used in high-stakes applications impacting society. Therefore, it is of critical importance that ML models do not propagate discrimination. Collecting accurate labeled data in societal…

Machine Learning · Computer Science 2020-07-03 Hadis Anahideh , Abolfazl Asudeh , Saravanan Thirumuruganathan

Agent-based models (ABMs) simulate the formation and evolution of social processes at a fundamental level by decoupling agent behavior from global observations. In the case where ABM networks evolve over time as a result of (or in…

Social and Information Networks · Computer Science 2023-08-11 Karleigh Pine , Joel Klipfel , Jared Bennett , Nathaniel Bade , Christian Manasseh

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

Nowadays, machine learning (ML) is being used in software systems with multiple application fields, from medicine to software engineering (SE). On the one hand, the popularity of ML in the industry can be seen in the statistics showing its…

Software Engineering · Computer Science 2023-05-09 Anamaria Mojica-Hanke

High-throughput technologies such as next generation sequencing allow biologists to observe cell function with unprecedented resolution, but the resulting datasets are too large and complicated for humans to understand without the aid of…

Applications · Statistics 2021-10-08 David S. Watson

Machine learning (ML)-based solutions are rapidly changing the landscape of many fields, including structural engineering. Despite their promising performance, these approaches are usually only demonstrated as proof-of-concept in structural…

Machine Learning · Computer Science 2025-08-20 Mohsen Zaker Esteghamati , Brennan Bean , Henry V. Burton , M. Z. Naser

This article provides an overview of Supervised Machine Learning (SML) with a focus on applications to banking. The SML techniques covered include Bagging (Random Forest or RF), Boosting (Gradient Boosting Machine or GBM) and Neural…

General Finance · Quantitative Finance 2020-08-11 Linwei Hu , Jie Chen , Joel Vaughan , Hanyu Yang , Kelly Wang , Agus Sudjianto , Vijayan N. Nair

Active Queue Management (AQM), a network-layer congestion control technique endorsed by the Internet Engineering Task Force (IETF), encourages routers to discard packets before the occurrence of buffer overflow. Traditional AQM techniques…

Networking and Internet Architecture · Computer Science 2024-10-04 Mohammad Parsa Toopchinezhad , Mahmood Ahmadi

Modelling and computational methods have been essential in advancing quantitative science, especially in the past two decades with the availability of vast amount of complex, voluminous, and heterogeneous data. In particular, there has been…

Multiagent Systems · Computer Science 2020-07-09 Affan Shoukat , Seyed M. Moghadas