Related papers: PhiPlot: A Web-Based Interactive EDA Environment f…
In exploratory tasks involving high-dimensional datasets, dimensionality reduction (DR) techniques help analysts to discover patterns and other useful information. Although scatter plot representations of DR results allow for cluster…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Interactive composition simulations in Earth System Models (ESMs) are computationally expensive as they transport numerous gaseous and aerosol tracers at each timestep. This limits higher-resolution transient climate simulations with…
Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the…
Visual exploration of high-dimensional real-valued datasets is a fundamental task in exploratory data analysis (EDA). Existing methods use predefined criteria to choose the representation of data. There is a lack of methods that (i) elicit…
Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling…
Predictive simulations and experimental design involving extreme aero-chemo-thermo-mechanical regimes require high-fidelity material representation across diverse physical states. However, data for metals, polymers, and propellants,…
In the past few years, augmented reality (AR) and virtual reality (VR) technologies have experienced terrific improvements in both accessibility and hardware capabilities, encouraging the application of these devices across various domains.…
Data visualization is essential for developing an understanding of a complex system. The power grid is one of the most complex systems in the world and effective power grid research visualization software must 1) be easy to use, 2) support…
Aerosols found in the atmosphere affect the climate and worsen air quality. To mitigate these adverse impacts, aerosol formation and aerosol chemistry in the atmosphere need to be better mapped out and understood. Currently, mass…
Electromagnetics has an important role to play in solving the next generation of geoscience problems. These problems are multidisciplinary, complex, and require collaboration. This is especially true at the base scientific level where the…
Living organisms rely on molecular networks, such as gene circuits and signaling pathways, for information processing and robust decision-making in crowded, noisy environments. Recent advances show that interacting biomolecules…
Analyzing air pollution data is challenging as there are various analysis focuses from different aspects: feature (what), space (where), and time (when). As in most geospatial analysis problems, besides high-dimensional features, the…
We present APFEL Web, a web-based application designed to provide a flexible user-friendly tool for the graphical visualization of parton distribution functions (PDFs). In this note we describe the technical design of the APFEL Web…
We present a publicly accessible database designed to aid in the conception, training, demonstration, evaluation, and comparison of reduced-complexity models for fluid mechanics. Availability of high-quality flow data is essential for all…
In this work, we propose an attention-based deep reinforcement learning approach to address the adaptive informative path planning (IPP) problem in 3D space, where an aerial robot equipped with a downward-facing sensor must dynamically…
Spectral retrieval has long been a powerful tool for interpreting planetary remote sensing observations. Flexible, parameterised, agnostic models are coupled with inversion algorithms in order to infer atmospheric properties directly from…
One of the key requirements for incorporating machine learning into the drug discovery process is complete reproducibility and traceability of the model building and evaluation process. With this in mind, we have developed an end-to-end…
Open-source EDA tools are rapidly advancing, fostering collaboration, innovation, and knowledge sharing within the EDA community. However, the growing complexity of these tools, characterized by numerous design parameters and heuristics,…
The discovery of extrasolar planets is one of the major scientific advances of the last two decades. Hundreds of planets have now been detected and astronomers are beginning to characterise their composition and physical characteristics. To…