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While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Climate change impacts a broad spectrum of human resources and activities, necessitating the use of climate models to project long-term effects and inform mitigation and adaptation strategies. These models generate multiple datasets by…

Driven by the recent advances in smart, miniaturized, and mass produced sensors, networked systems, and high-speed data communication and computing, the ability to collect and process larger volumes of higher veracity real-time data from a…

Other Computer Science · Computer Science 2018-09-03 Chun-An Chou , Xiaoning Jin , Amy Mueller , Sarah Ostadabbas

For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient…

Computational Engineering, Finance, and Science · Computer Science 2016-06-02 Vivekanandan Balasubramanian , Iain Bethune , Ardita Shkurti , Elena Breitmoser , Eugen Hruska , Cecilia Clementi , Charles Laughton , Shantenu Jha

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. DOE Exascale Computing Project have been tackling new frontiers…

Soon most information will be available at your fingertips, anytime, anywhere. Rapid advances in storage, communications, and processing allow us move all information into Cyberspace. Software to define, search, and visualize online…

Databases · Computer Science 2007-05-23 Jim Gray

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

The explosion of scientific literature has made the efficient and accurate extraction of structured data a critical component for advancing scientific knowledge and supporting evidence-based decision-making. However, existing tools often…

Human-Computer Interaction · Computer Science 2025-11-06 Xingbo Wang , Samantha L. Huey , Rui Sheng , Saurabh Mehta , Fei Wang

Error-controlled lossy compressors have been widely used in scientific applications to reduce the unprecedented size of scientific data while keeping data distortion within a user-specified threshold. While they significantly mitigate the…

Databases · Computer Science 2026-03-27 Xuan Wu , Sheng Di , Tripti Agarwal , Kai Zhao , Xin Liang , Franck Cappello

With the growing use of new technologies, healthcare is nowadays undergoing significant changes. Information-based medicine has to exploit medical decision-support systems and requires the analysis of various, heterogeneous data, such as…

Databases · Computer Science 2008-09-17 Jérôme Darmont , Emerson Olivier

Workflow technology is rapidly evolving and, rather than being limited to modeling the control flow in business processes, is becoming a key mechanism to perform advanced data management, such as big data analytics. This survey focuses on…

Databases · Computer Science 2017-01-27 Georgia Kougka , Anastasios Gounaris , Alkis Simitsis

Dynamo is a full-stack software solution for scientific data management. Dynamo's architecture is modular, extensible, and customizable, making the software suitable for managing data in a wide range of installation scales, from a few…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-18 Yutaro Iiyama , Benedikt Maier , Daniel Abercrombie , Maxim Goncharov , Christoph Paus

Recently, we have been witnessing huge advancements in the scale of data we routinely generate and collect in pretty much everything we do, as well as our ability to exploit modern technologies to process, analyze and understand this data.…

Databases · Computer Science 2017-09-25 Radwa Elshawi , Sherif Sakr

The explosion of data on the internet is a direct corollary of the social media platform. With petabytes of data being generated by end users, the researchers have access to unprecedented amount of data (Big Data). Such data provides an…

Computers and Society · Computer Science 2019-02-06 Adil E. Rajput , Samara M. Ahmed

The current flood of information in all areas of machine learning research, from computer vision to reinforcement learning, has made it difficult to make aggregate scientific inferences. It can be challenging to distill a myriad of similar…

Digital Libraries · Computer Science 2018-12-05 Peter Henderson , Emma Brunskill

In recent years, following FAIR and open data principles, the number of available big data including biomedical data has been increased exponentially. In order to extract knowledge, these data should be curated, integrated, and semantically…

Databases · Computer Science 2018-11-06 Samaneh Jozashoori , Tatiana Novikova , Maria-Esther Vidal

At a time when many companies are under pressure to reduce "times-to-market" the management of product information from the early stages of design through assembly to manufacture and production has become increasingly important. Similarly…

Scientists generate petabytes of data daily to help uncover environmental trends or behaviors that are hard to predict. For example, understanding climate simulations based on the long-term average of temperature, precipitation, and other…

In Big data era, information integration often requires abundant data extracted from massive data sources. Due to a large number of data sources, data source selection plays a crucial role in information integration, since it is costly and…

Databases · Computer Science 2016-11-01 Yiming Lin , Hongzhi Wang , Jianzhong Li , Hong Gao

Data science models, although successful in a number of commercial domains, have had limited applicability in scientific problems involving complex physical phenomena. Theory-guided data science (TGDS) is an emerging paradigm that aims to…

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