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The Model Context Protocol (MCP) has recently emerged as a standardized interface for connecting language models with external tools and data. As the ecosystem rapidly expands, the lack of a structured, comprehensive view of existing MCP…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) infrastructure at the National Institute of Standards and Technology (NIST) is a large-scale collection of curated datasets and tools with more than 80000 materials…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
Different software tools have been developed with the purpose of performing offline evaluations of recommender systems. However, the results obtained with these tools may be not directly comparable because of subtle differences in the…
Background: Biomedical research projects deal with data management requirements from multiple sources like funding agencies' guidelines, publisher policies, discipline best practices, and their own users' needs. We describe functional and…
Scientific workflows are powerful tools for management of scalable experiments, often composed of complex tasks running on distributed resources. Existing cyberinfrastructure provides components that can be utilized within repeatable…
While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is still impractical for many applications. Towards…
Social media platforms are increasingly adopting features that display crowdsourced context alongside posts, a technique pioneered by X's Community Notes. These systems -- which we term Crowdsourced Context Systems (CCS) -- have the…
Astronomy produces extremely large data sets from ground-based telescopes, space missions, and simulation. The volume and complexity of these rich data sets require new approaches and advanced tools to understand the information contained…
Research collaborations are continuously emerging catalyzed by online platforms, where people can share their codes, calculations, data and results. These virtual research platforms are innovative, community oriented, flexible and secure as…
In today's world, social networking is an important (power full) medium of mass communication. People of almost all classes have been interacting with each other and sharing their views, moments, and ideas by using enormous user-friendly…
Communities, ranging from homes to cities, are a ubiquitous part of our lives. However, there is a lack of adequate support for applications built around these communities. As a result, current applications each need to implement their own…
Recommender systems (RSs) provide an effective way of alleviating the information overload problem by selecting personalized choices. Online social networks and user-generated content provide diverse sources for recommendation beyond…
Scientific computing can in some sense be distilled to the execution of an application - or rather sets of applications which are combined into complex workflows. Due to the complexity and number both of scientific packages as well as…
Tasks such as record linkage and multi-target tracking, which involve reconstructing the set of objects that underlie some observed data, are particularly challenging for probabilistic inference. Recent work has achieved efficient and…
In recent years, the research community has raised serious questions about the reproducibility of scientific work. In particular, since many studies include some kind of computing work, reproducibility is also a technological challenge, not…
Acquiring valuable data from the rapidly expanding information on the internet has become a significant concern, and recommender systems have emerged as a widely used and effective tool for helping users discover items of interest. The…
Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are…
Although a standard in natural science, reproducibility has been only episodically applied in experimental computer science. Scientific papers often present a large number of tables, plots and pictures that summarize the obtained results,…
There is an emerging consensus in the scientific software community that progress in scientific research is dependent on the "quality and accessibility of software at all levels" (wssspe.researchcomputing.org.uk/). This progress depends on…