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Recently, there has been a national push to use machine learning (ML) and artificial intelligence (AI) to advance engineering techniques in all disciplines ranging from advanced fracture mechanics in materials science to soil and water…

Computers and Society · Computer Science 2023-04-25 Andrew Schulz , Suzanne Stathatos , Cassandra Shriver , Roxanne Moore

The use of machine learning systems in clinical routine is still hampered by the necessity of a medical device certification and/or by difficulty to implement these systems in a clinic's quality management system. In this context, the key…

Medical Physics · Physics 2022-10-18 Lorenzo Mercolli , Axel Rominger , Kuangyu Shi

The network of biochemical reactions inside living organisms is characterized by an overwhelming complexity which stems from the sheer number of reactions and from the complicated topology of biochemical cycles. However the high speed of…

Biological Physics · Physics 2009-10-30 Edoardo Milotti , Alessio Del Fabbro , Roberto Chignola

Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient…

Machine Learning · Computer Science 2025-12-01 Umberto Michelucci , Francesca Venturini

Recent advances in digital microfluidic (DMF) technologies offer a promising platform for a wide variety of biochemical applications, such as DNA analysis, automated drug discovery, and toxicity monitoring. For on-chip implementation of…

Emerging Technologies · Computer Science 2022-11-10 Sukanta Bhattacharjee , Ansuman Banerjee , Krishnendu Chakrabarty , Bhargab B. Bhattacharya

Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…

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

In computer chip manufacturing, the study of etch patterns on silicon wafers, or metrology, occurs on the nano-scale and is therefore subject to large variation from small, yet significant, perturbations in the manufacturing environment. An…

Machine Learning · Computer Science 2019-10-23 Jack Kenney , John Valcore , Scott Riggs , Edward Rietman

Machine learning (ML) - based software systems are rapidly gaining adoption across various domains, making it increasingly essential to ensure they perform as intended. This report presents best practices for the Test and Evaluation (T&E)…

Software Engineering · Computer Science 2023-10-11 Jaganmohan Chandrasekaran , Tyler Cody , Nicola McCarthy , Erin Lanus , Laura Freeman

Autoscaling has become a baseline expectation for cloud-native big data processing, and the design space has expanded beyond rule-based heuristics to include learned controllers and, most recently, large language model (LLM) agents. Yet…

Information Retrieval · Computer Science 2026-05-13 Venkata Krishna Prasanth Budigi , Siri Chandana Sirigiri

Automated machine learning (AutoML) is envisioned to make ML techniques accessible to ordinary users. Recent work has investigated the role of humans in enhancing AutoML functionality throughout a standard ML workflow. However, it is also…

Human-Computer Interaction · Computer Science 2024-04-05 Yuan Sun , Qiurong Song , Xinning Gui , Fenglong Ma , Ting Wang

Scientific workflows consist of thousands of highly parallelized tasks executed in a distributed environment involving many components. Automatic tracing and investigation of the components' and tasks' performance metrics, traces, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-19 Jonathan Bader , Joel Witzke , Soeren Becker , Ansgar Lößer , Fabian Lehmann , Leon Doehler , Anh Duc Vu , Odej Kao

Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…

Chemical Physics · Physics 2017-04-21 Gregor N. Simm , Jonny Proppe , Markus Reiher

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The…

Chemical Physics · Physics 2024-02-08 Nung Siong Lai , Yi Shen Tew , Xialin Zhong , Jun Yin , Jiali Li , Binhang Yan , Xiaonan Wang

Co-designing efficient machine learning based systems across the whole hardware/software stack to trade off speed, accuracy, energy and costs is becoming extremely complex and time consuming. Researchers often struggle to evaluate and…

Machine Learning · Statistics 2018-01-22 Thierry Moreau , Anton Lokhmotov , Grigori Fursin

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Heterogeneous scientific workflows consist of numerous types of tasks that require executing on heterogeneous resources. Asynchronous execution of those tasks is crucial to improve resource utilization, task throughput and reduce workflows'…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Vincent R. Pascuzzi , Ozgur O. Kilic , Matteo Turilli , Shantenu Jha

Advancements in digital automation for smart grids have led to the installation of measurement devices like phasor measurement units (PMUs), micro-PMUs ($\mu$-PMUs), and smart meters. However, a large amount of data collected by these…

Systems and Control · Electrical Eng. & Systems 2023-09-20 Mehdi Jabbari Zideh , Paroma Chatterjee , Anurag K. Srivastava

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