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Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this…

Software Engineering · Computer Science 2025-01-24 Fabio Calefato , Luigi Quaranta , Filippo Lanubile , Marcos Kalinowski

The automated machine learning (AutoML) process can require searching through complex configuration spaces of not only machine learning (ML) components and their hyperparameters but also ways of composing them together, i.e. forming ML…

Machine Learning · Computer Science 2022-08-10 David Jacob Kedziora , Tien-Dung Nguyen , Katarzyna Musial , Bogdan Gabrys

Modern approach to artificial intelligence (AI) aims to design algorithms that learn directly from data. This approach has achieved impressive results and has contributed significantly to the progress of AI, particularly in the sphere of…

Machine Learning · Computer Science 2024-03-20 Alhassan Mumuni , Fuseini Mumuni

Correctly setting the parameters of a production machine is essential to improve product quality, increase efficiency, and reduce production costs while also supporting sustainability goals. Identifying optimal parameters involves an…

Machine Learning · Computer Science 2025-03-24 Philipp Wagner , Tobias Nagel , Philipp Leube , Marco F. Huber

Machine learning pipelines often rely on optimization procedures to make discrete decisions (e.g., sorting, picking closest neighbors, or shortest paths). Although these discrete decisions are easily computed, they break the…

Machine Learning · Computer Science 2020-06-11 Quentin Berthet , Mathieu Blondel , Olivier Teboul , Marco Cuturi , Jean-Philippe Vert , Francis Bach

With the growing processing power of computing systems and the increasing availability of massive datasets, machine learning algorithms have led to major breakthroughs in many different areas. This development has influenced computer…

Rapid improvements in machine learning over the past decade are beginning to have far-reaching effects. For communications, engineers with limited domain expertise can now use off-the-shelf learning packages to design high-performance…

Information Theory · Computer Science 2019-01-25 Mengke Lian , Christian Häger , Henry D. Pfister

Many real-world systems problems require reasoning about the long term consequences of actions taken to configure and manage the system. These problems with delayed and often sequentially aggregated reward, are often inherently…

Machine Learning · Computer Science 2019-09-06 Ameer Haj-Ali , Nesreen K. Ahmed , Ted Willke , Joseph Gonzalez , Krste Asanovic , Ion Stoica

The problem of ranking is a multi-billion dollar problem. In this paper we present an overview of several production quality ranking systems. We show that due to conflicting goals of employing the most effective machine learning models and…

Information Retrieval · Computer Science 2019-07-30 Murium Iqbal , Nishan Subedi , Kamelia Aryafar

Automated industries lead to high quality production, lower manufacturing cost and better utilization of human resources. Robotic manipulator arms have major role in the automation process. However, for complex manipulation tasks, hard…

Training deep neural networks is a highly nontrivial task, involving carefully selecting appropriate training algorithms, scheduling step sizes and tuning other hyperparameters. Trying different combinations can be quite labor-intensive and…

Machine Learning · Computer Science 2017-06-13 Kaifeng Lv , Shunhua Jiang , Jian Li

The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…

Machine Learning · Computer Science 2021-10-26 Jeyan Thiyagalingam , Mallikarjun Shankar , Geoffrey Fox , Tony Hey

Machine learning is a modern approach to problem-solving and task automation. In particular, machine learning is concerned with the development and applications of algorithms that can recognize patterns in data and use them for predictive…

Machine learning (ML) is increasingly deployed in real world contexts, supplying actionable insights and forming the basis of automated decision-making systems. While issues resulting from biases pre-existing in training data have been at…

Machine Learning · Computer Science 2018-07-09 Roel Dobbe , Sarah Dean , Thomas Gilbert , Nitin Kohli

Neural networks (NNs) can achieved high performance in various fields such as computer vision, and natural language processing. However, deploying NNs in resource-constrained safety-critical systems has challenges due to uncertainty in the…

Machine Learning · Computer Science 2024-01-17 Soyed Tuhin Ahmed

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

Increasing digitalization enables the use of machine learning methods for analyzing and optimizing manufacturing processes. A main application of machine learning is the construction of quality prediction models, which can be used, among…

Undoubtedly, the increase of available data and competitive machine learning algorithms has boosted the popularity of data-driven modeling in energy systems. Applications are forecasts for renewable energy generation and energy consumption.…

Machine Learning · Computer Science 2021-10-27 Stefan Meisenbacher , Janik Pinter , Tim Martin , Veit Hagenmeyer , Ralf Mikut

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation,…