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Molecules and materials are the foundation for the development of modern advanced industries such as energy storage systems and semiconductor devices. However, traditional trial-and-error methods or theoretical calculations are highly…

Large Language Models (LLMs) have transformed software engineering, but their application to physical engineering domains remains underexplored. This paper evaluates LLMs' capabilities in high-powered rocketry design through RocketBench, a…

Software Engineering · Computer Science 2025-05-01 Toby Simonds

As machine learning (ML) systems increasingly permeate high-stakes settings such as healthcare, transportation, military, and national security, concerns regarding their reliability have emerged. Despite notable progress, the performance of…

Machine Learning · Computer Science 2023-08-01 Anthony Corso , David Karamadian , Romeo Valentin , Mary Cooper , Mykel J. Kochenderfer

Machine Learning (ML) and Deep Learning (DL) innovations are being introduced at such a rapid pace that model owners and evaluators are hard-pressed analyzing and studying them. This is exacerbated by the complicated procedures for…

Machine Learning · Computer Science 2019-06-26 Abdul Dakkak , Cheng Li , Jinjun Xiong , Wen-Mei Hwu

Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it demands advances at the levels of materials, devices, and systems for the efficient harvesting, storage, conversion, and management of renewable…

Applications of machine learning (ML) to high-stakes policy settings -- such as education, criminal justice, healthcare, and social service delivery -- have grown rapidly in recent years, sparking important conversations about how to ensure…

Machine Learning · Computer Science 2021-05-14 Hemank Lamba , Kit T. Rodolfa , Rayid Ghani

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Machine learning (ML) has become a pervasive tool across computing systems. An emerging application that stress-tests the challenges of ML system design is tiny robot learning, the deployment of ML on resource-constrained low-cost…

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Machine Learning · Computer Science 2018-11-09 Ivan Olier , Oghenejokpeme I. Orhobor , Joaquin Vanschoren , Ross D. King

Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine Learning · Computer Science 2024-02-16 Gengyuan Hu , Gengchen Wei , Zekun Lou , Philip H. S. Torr , Wanli Ouyang , Han-sen Zhong , Chen Lin

This paper explores the challenges in evaluating machine learning (ML) models for continuous health monitoring using wearable devices beyond conventional metrics. We state the complexities posed by real-world variability, disease dynamics,…

Machine Learning · Computer Science 2023-12-06 Cheng Ding , Zhicheng Guo , Cynthia Rudin , Ran Xiao , Fadi B Nahab , Xiao Hu

Context and motivation: The development and operation of critical software that contains machine learning (ML) models requires diligence and established processes. Especially the training data used during the development of ML models have…

Software Engineering · Computer Science 2023-02-01 Hans-Martin Heyn , Eric Knauss , Iswarya Malleswaran , Shruthi Dinakaran

Systems that use Machine Learning (ML) have become commonplace for companies that want to improve their products and processes. Literature suggests that Requirements Engineering (RE) can help address many problems when engineering…

Machine learning (ML) models are increasingly being used in application domains that often involve working together with human experts. In this context, it can be advantageous to defer certain instances to a single human expert when they…

Artificial Intelligence · Computer Science 2022-06-17 Patrick Hemmer , Sebastian Schellhammer , Michael Vössing , Johannes Jakubik , Gerhard Satzger

Machine learning (ML) has become a ubiquitous tool across various domains of data mining and big data analysis. The efficacy of ML models depends heavily on high-quality datasets, which are often complicated by the presence of missing…

Machine Learning · Computer Science 2024-10-14 Abu Fuad Ahmad , Md Shohel Sayeed , Khaznah Alshammari , Istiaque Ahmed

Software engineers have significant expertise to offer when building intelligent systems, drawing on decades of experience and methods for building systems that are scalable, responsive and robust, even when built on unreliable components.…

Software Engineering · Computer Science 2020-01-22 Christian Kästner , Eunsuk Kang

Fatal accidents are a major issue hindering the wide acceptance of safety-critical systems that employ machine learning and deep learning models, such as automated driving vehicles. In order to use machine learning in a safety-critical…

Software Engineering · Computer Science 2019-08-23 Hiroshi Kuwajima , Hirotoshi Yasuoka , Toshihiro Nakae

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

Statistical learning is the process of estimating an unknown probabilistic input-output relationship of a system using a limited number of observations. A statistical learning machine (SLM) is the algorithm, function, model, or rule, that…

Machine Learning · Statistics 2026-04-26 Waleed A. Yousef

Model-driven engineering problems often require complex model transformations (MTs), i.e., MTs that are chained in extensive sequences. Pertinent examples of such problems include model synchronization, automated model repair, and design…

Software Engineering · Computer Science 2025-08-08 Kyanna Dagenais , Istvan David