Related papers: fair_data.py: implementing FAIR data compliance in…
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…
Data analysis in fundamental sciences nowadays is an essential process that pushes frontiers of our knowledge and leads to new discoveries. At the same time we can see that complexity of those analyses increases fast due to a)~enormous…
With the global increase in experimental data artifacts, harnessing them in a unified fashion leads to a major stumbling block - bad metadata. To bridge this gap, this work presents a Natural Language Processing (NLP) informed application,…
A large number of services for research data management strive to adhere to the FAIR guiding principles for scientific data management and stewardship. To evaluate these services and to indicate possible improvements, use-case-centric…
As society becomes increasingly reliant on artificial intelligence, the need to mitigate risk and harm is paramount. In response, researchers and practitioners have developed tools to detect and reduce undesired bias, commonly referred to…
When a database is protected by Differential Privacy (DP), its usability is limited in scope. In this scenario, generating a synthetic version of the data that mimics the properties of the private data allows users to perform any operation…
The general purpose of a scientific publication is the exchange and spread of knowledge. A publication usually reports a scientific result and tries to convince the reader that it is valid. With an ever-growing number of papers relying on…
Today, artificial intelligence systems driven by machine learning algorithms can be in a position to take important, and sometimes legally binding, decisions about our everyday lives. In many cases, however, these systems and their actions…
Many numerical simulation tools have been developed and are on the market, but there is still a strong need for appropriate tools capable of simulating multi-field problems, especially in aeroacoustics. Therefore, openCFS provides an…
We consider the problem of deep fair clustering, which partitions data into clusters via the representations extracted by deep neural networks while hiding sensitive data attributes. To achieve fairness, existing methods present a variety…
Ensuring fairness in AI systems is critical, especially in high-stakes domains such as lending, hiring, and healthcare. This urgency is reflected in emerging global regulations that mandate fairness assessments and independent bias audits.…
Ensuring the reproducibility of scientific work is crucial as it allows the consistent verification of scientific claims and facilitates the advancement of knowledge by providing a reliable foundation for future research. However,…
Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a…
Density functional theory is the workhorse of chemistry and materials science, and novel density functional approximations (DFAs) are published every year. To become available in program packages, the novel DFAs need to be (re)implemented.…
The advent of modern data processing has led to an increasing tendency towards interdisciplinarity, which frequently involves the importation of different technical approaches. Consequently, there is an urgent need for a unified data…
Six years after the seminal paper on FAIR was published, researchers still struggle to understand how to implement FAIR. For many researchers FAIR promises long-term benefits for near-term effort, requires skills not yet acquired, and is…
Literate programming - the bringing together of program code and natural language narratives - has become a ubiquitous approach in the realm of data science. This methodology is appealing as well for the domain of Density Functional Theory…
To satisfy the principles of FAIR software, software sustainability and software citation, research software must be formally published. Publication repositories make this possible and provide published software versions with unique and…
We discuss important aspects of HCI research regarding Research Data Management (RDM) to achieve better publication processes and higher reuse of HCI research results. Various context elements of RDM for HCI are discussed, including…
The reproducibility of scientific research has become a point of critical concern. We argue that openness and transparency are critical for reproducibility, and we outline an ecosystem for open and transparent science that has emerged…