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The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing,…

Artificial Intelligence · Computer Science 2025-08-12 Lance Yao , Suman Samantray , Ayana Ghosh , Kevin Roccapriore , Libor Kovarik , Sarah Allec , Maxim Ziatdinov

The Internet of Things movement provides self-configuring and universally interoperable devices. While such devices are often built with a specific application in mind, they often turn out to be useful in other contexts as well. We claim…

Databases · Computer Science 2014-03-03 Henning Hasemann , Alexander Kröller , Max Pagel

How do RDF datasets currently get published on the Web? They are either available as large RDF files, which need to be downloaded and processed locally, or they exist behind complex SPARQL endpoints. By providing a RESTful API that can…

Databases · Computer Science 2014-08-22 Luca Matteis

Heterogeneous distributed systems, including the Internet of Things (IoT) or distributed cyber-physical systems (CPS), often suffer a lack of interoperability and security, which hinders the wider deployment of such systems. Specifically,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-21 Dongha Kim , Chanhee Lee , Hokeun Kim

RESTful APIs based on HTTP are one of the most important ways to make data and functionality available to applications and software services. However, the quality of the API design strongly impacts API understandability and usability, and…

Software Engineering · Computer Science 2024-09-12 Justus Bogner , Sebastian Kotstein , Daniel Abajirov , Timothy Ernst , Manuel Merkel

With the increased interest in computational sciences, machine learning (ML), pattern recognition (PR) and big data, governmental agencies, academia and manufacturers are overwhelmed by the constant influx of new algorithms and techniques…

Software Engineering · Computer Science 2017-07-28 André Anjos , Laurent El-Shafey , Sébastien Marcel

Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as a promising approach to improve correctness in LLMs, however, in many scientific problems, the objective is not necessarily to produce the correct answer, but instead to…

Machine Learning · Computer Science 2025-12-23 Andy Xu , Rohan Desai , Larry Wang , Gabriel Hope , Ethan Ritz

The fundamental relationship of the atomic structure (represented by its atomic property parameters, APPs) and its physical properties of a specific inorganic substance can be realized in the bottom-up data-centric and the top-down…

Materials Science · Physics 2021-05-28 Pierre Villars , Evgeny Blokhin , Shuichi Iwata

REpresentation State Transfer (REST) is an architectural style for designing web applications that enable scalable, stateless communication between clients and servers via common HTTP techniques. Web APIs that employ the REST style are…

Software Engineering · Computer Science 2025-04-24 Sida Deng , Rubing Huang , Man Zhang , Chenhui Cui , Dave Towey , Rongcun Wang

The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and…

Making energy consumption data accessible to software developers is an essential step towards energy efficient software engineering. The presence of various different, bespoke and incompatible, methods of instrumentation to obtain energy…

Software Engineering · Computer Science 2021-01-14 Hayden Field , Glen Anderson , Kerstin Eder

A key issue hindering discoverability, attribution and reusability of open research software is that its existence often remains hidden within the manuscript of research papers. For these resources to become first-class bibliographic…

Context based API recommendation is an important way to help developers find the needed APIs effectively and efficiently. For effective API recommendation, we need not only a joint view of both structural and textual code information, but…

Software Engineering · Computer Science 2020-10-16 Chi Chen , Xin Peng , Zhenchang Xing , Jun Sun , Xin Wang , Yifan Zhao , Wenyun Zhao

The OAI Object Reuse and Exchange (OAI-ORE) framework recasts the repository-centric notion of digital object to a bounded aggregation of Web resources. In this manner, digital library content is more integrated with the Web architecture,…

Digital Libraries · Computer Science 2008-04-16 Carl Lagoze , Herbert Van de Sompel , Michael L. Nelson , Simeon Warner , Robert Sanderson , Pete Johnston

Compound AI Systems, integrating multiple interacting components like models, retrievers, and external tools, have emerged as essential for addressing complex AI tasks. However, current implementations suffer from inefficient resource…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-19 Gohar Irfan Chaudhry , Esha Choukse , Íñigo Goiri , Rodrigo Fonseca , Adam Belay , Ricardo Bianchini

As science gateways are becoming an increasingly popular digital interface for scientific communities, it is also becoming increasingly important for High-Performance Computing centers to provide a modern Web-enabled APIs. With such…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-12-02 Felipe A. Cruz , Maxime Martinasso

The advent of artificial intelligence (AI) has enabled a comprehensive exploration of materials for various applications. However, AI models often prioritize frequently encountered materials in the scientific literature, limiting the…

Materials Science · Physics 2023-08-29 Yang Jeong Park , Sung Eun Jerng , Jin-Sung Park , Choah Kwon , Chia-Wei Hsu , Zhichu Ren , Sungroh Yoon , Ju Li

The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials identification and design. This depends on the availability of…

Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…

Materials Science · Physics 2025-10-09 Victor Dudarev , Lars Banko , Alfred Ludwig
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