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The accelerating growth of global data generation demands data storage platforms that offer high capacity, long lifespan, and low energy consumption beyond the limits of electronic memory technologies. Optical storage provides an attractive…
Objective: To (1) demonstrate the implementation of a data science platform built on open-source technology within a large, academic healthcare system and (2) describe two computational healthcare applications built on such a platform.…
In recent years, the integration of artificial intelligence (AI) and cloud computing has emerged as a promising avenue for addressing the growing computational demands of AI applications. This paper presents a comprehensive study of…
Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…
High-quality datasets are fundamental to training and evaluating machine learning models, yet their creation-especially with accurate human annotations-remains a significant challenge. Many dataset paper submissions lack originality,…
Numerical simulations have revolutionized the industrial design process by reducing prototyping costs, design iterations, and enabling product engineers to explore the design space more efficiently. However, the growing scale of simulations…
Contemporary Distributed Computing Systems (DCS) such as Cloud Data Centres are large scale, complex, heterogeneous, and distributed across multiple networks and geographical boundaries. On the other hand, the Internet of Things…
Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…
Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…
Numerical algorithms and computational tools are instrumental in navigating and addressing complex simulation and data processing tasks. The exponential growth of metadata and parameter-driven simulations has led to an increasing demand for…
Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the…
Structural biology has made significant progress in determining membrane proteins, leading to a remarkable increase in the number of available structures in dedicated databases. The inherent complexity of membrane protein structures,…
Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are increasingly tabulated in open databases. The OPTIMADE API is a…
The goal of the Collaborative Research Center 1625 is the establishment of a scientific basis for the atomic-scale understanding and design of multifunctional compositionally complex solid solution surfaces. Next to materials synthesis in…
Scientific data management is at a critical juncture, driven by exponential data growth, increasing cross-domain dependencies, and a severe reproducibility crisis in modern research. Traditional centralized data management approaches are…
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…
Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…
Data quality plays a pivotal role in the predictive performance of machine learning (ML) tasks - a challenge amplified by the deluge of data sources available in modern organizations. Prior work in data discovery largely focus on metadata…
Influenced by the advances in data and computing, the scientific practice increasingly involves machine learning and artificial intelligence driven methods which requires specialized capabilities at the system-, science- and service-level…
Industrial cyber physical systems operate under heterogeneous sensing, stochastic dynamics, and shifting process conditions, producing data that are often incomplete, unlabeled, imbalanced, and domain shifted. High-fidelity datasets remain…