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We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

An increasing number of software companies have already realized the importance of storing project-related data as valuable sources of information for training prediction models. Such kind of modeling opens the door for the implementation…

Software Engineering · Computer Science 2023-03-08 Victor Uc-Cetina

In this paper, we propose a machine learning-based approach to address the lack of ability for designers to optimize urban land use planning from the perspective of vehicle travel demand. Research shows that our computational model can help…

Machine Learning · Computer Science 2023-11-14 Zixun Huang , Hao Zheng

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers…

Machine Learning · Computer Science 2020-05-05 Anh Truong , Austin Walters , Jeremy Goodsitt , Keegan Hines , C. Bayan Bruss , Reza Farivar

Machine learning has had an enormous impact in many scientific disciplines. Also in the field of low-temperature plasma modeling and simulation it has attracted significant interest within the past years. Whereas its application should be…

Plasma Physics · Physics 2023-12-18 Jan Trieschmann , Luca Vialetto , Tobias Gergs

The increasing usage of machine learning (ML) coupled with the software architectural challenges of the modern era has resulted in two broad research areas: i) software architecture for ML-based systems, which focuses on developing…

Software Engineering · Computer Science 2021-03-17 Henry Muccini , Karthik Vaidhyanathan

Algorithm learning is a core problem in artificial intelligence with significant implications on automation level that can be achieved by machines. Recently deep learning methods are emerging for synthesizing an algorithm from its…

Neural and Evolutionary Computing · Computer Science 2018-09-20 Karlis Freivalds , Renars Liepins

The aviation literature gives relatively little guidance to practitioners about the specifics of architecting systems for safety, particularly the impact of architecture on allocating safety requirements, or the relative ease of system…

Software Engineering · Computer Science 2023-01-20 Jane Fenn , Mark Nicholson , Ganesh Pai , Michael Wilkinson

Algorithm design is crucial for effective problem-solving across various domains. The advent of Large Language Models (LLMs) has notably enhanced the automation and innovation within this field, offering new perspectives and promising…

Machine Learning · Computer Science 2026-01-06 Fei Liu , Yiming Yao , Ping Guo , Zhiyuan Yang , Zhe Zhao , Xi Lin , Xialiang Tong , Kun Mao , Zhichao Lu , Zhenkun Wang , Mingxuan Yuan , Qingfu Zhang

Machine learning assumes a pivotal role in our data-driven world. The increasing scale of models and datasets necessitates quick and reliable algorithms for model training. This dissertation investigates adaptivity in machine learning…

Machine Learning · Computer Science 2023-11-20 Slavomír Hanzely

Recent success of machine learning in many domains has been overwhelming, which often leads to false expectations regarding the capabilities of behavior learning in robotics. In this survey, we analyze the current state of machine learning…

Robotics · Computer Science 2024-09-13 Alexander Fabisch , Christoph Petzoldt , Marc Otto , Frank Kirchner

This paper surveys the recent attempts, both from the machine learning and operations research communities, at leveraging machine learning to solve combinatorial optimization problems. Given the hard nature of these problems,…

Machine Learning · Computer Science 2020-03-16 Yoshua Bengio , Andrea Lodi , Antoine Prouvost

Software architecture related issues are important for robotic systems. Architecture centric development and evolution of software for robotic systems has been attracting researchers attention for more than two decades. The objective of…

Software Engineering · Computer Science 2017-01-20 Aakash Ahmad , Muhammad Ali Babar

In this experience report, we apply deep active learning to the field of design optimization to reduce the number of computationally expensive numerical simulations. We are interested in optimizing the design of structural components, where…

Machine Learning · Computer Science 2024-03-21 Jens Decke , Christian Gruhl , Lukas Rauch , Bernhard Sick

Machine learning algorithms are everywhere, ranging from simple data analysis and pattern recognition tools used across the sciences to complex systems that achieve super-human performance on various tasks. Ensuring that they are…

Artificial Intelligence · Computer Science 2017-08-21 Philip S. Thomas , Bruno Castro da Silva , Andrew G. Barto , Emma Brunskill

While discrete-event simulators are essential tools for architecture research, design, and development, their practicality is limited by an extremely long time-to-solution for realistic applications under investigation. This work describes…

Hardware Architecture · Computer Science 2022-04-07 Lingda Li , Santosh Pandey , Thomas Flynn , Hang Liu , Noel Wheeler , Adolfy Hoisie

In the last decade, machine learning based compilation has moved from an an obscure research niche to a mainstream activity. In this article, we describe the relationship between machine learning and compiler optimisation and introduce the…

Programming Languages · Computer Science 2018-05-10 Zheng Wang , Michael O'Boyle

Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

Chemical Physics · Physics 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

The area of online machine learning in big data streams covers algorithms that are (1) distributed and (2) work from data streams with only a limited possibility to store past data. The first requirement mostly concerns software…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-19 András A. Benczúr , Levente Kocsis , Róbert Pálovics

Structured prediction plays a central role in machine learning applications from computational biology to computer vision. These models require significantly more computation than unstructured models, and, in many applications, algorithms…

Machine Learning · Computer Science 2013-12-03 Alexander Grubb , Daniel Munoz , J. Andrew Bagnell , Martial Hebert
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