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Chemists now routinely use software as part of their work. For example, virtual chemistry allows chemical reactions to be simulated. In particular, a selection of software is available for the visualisation of complex 3-dimensional…

Graphics · Computer Science 2013-07-25 Karl Harrison , Jonathan P. Bowen , Alice M. Bowen

Drawing and visualisation of molecular structures are some of the most common tasks carried out in structural glycobiology, typically using various software. In this perspective article, we outline developments in the computational tools…

Quantitative Methods · Quantitative Biology 2020-10-07 Kanhaya Lal , Rafael Bermeo , Serge Pérez

Visualization refers to our ability to create an image in our head based on the text we read or the words we hear. It is one of the many skills that makes reading comprehension possible. Convolutional Neural Networks (CNN) are an excellent…

Computer Vision and Pattern Recognition · Computer Science 2019-09-13 Ignazio Gallo , Shah Nawaz , Alessandro Calefati , Riccardo La Grassa , Nicola Landro

We are developing semantic visualization techniques in order to enhance exploration and enable discovery over large datasets of complex networks of relations. Semantic visualization is a method of enabling exploration and discovery over…

Computation and Language · Computer Science 2020-07-06 Jingxuan Tu , Marc Verhagen , Brent Cochran , James Pustejovsky

Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…

Chemical Physics · Physics 2022-04-15 Markus Meuwly

How do classification models "see" our data? Based on their success in delineating behaviors, there must be some lens through which it is easy to see the boundary between classes; however, our current set of visualization techniques makes…

Machine Learning · Computer Science 2026-03-17 Christian Jorgensen , Arthur Y. Lin , Rhushil Vasavada , Rose K. Cersonsky

Collaborative data consist of ratings relating two distinct sets of objects: users and items. Much of the work with such data focuses on filtering: predicting unknown ratings for pairs of users and items. In this paper we focus on the…

Graphics · Computer Science 2012-07-02 Guobiao Mei , Christian R. Shelton

I have developed a code which allows images to be produced of a variety of interacting binaries for any system parameters. The resulting images are not only helpful in visualising the geometry of a given system but are also helpful in talks…

Astrophysics · Physics 2007-05-23 R. I. Hynes

Everybody wants to analyse their data, but only few posses the data science expertise to to this. Motivated by this observation we introduce a novel framework and system \textsc{VisualSynth} for human-machine collaboration in data science.…

Artificial Intelligence · Computer Science 2020-04-24 Clément Gautrais , Yann Dauxais , Stefano Teso , Samuel Kolb , Gust Verbruggen , Luc De Raedt

Conformance checking is a major function of process mining, which allows organizations to identify and alleviate potential deviations from the intended process behavior. To fully leverage its benefits, it is important that conformance…

Software Engineering · Computer Science 2022-09-21 Jana-Rebecca Rehse , Luise Pufahl , Michael Grohs , Lisa-Marie Klein

Making quantum mechanical equations and concepts come to life through interactive simulation and visualization are commonplace for augmenting learning and teaching. However, graphical visualizations nearly always exhibit a set of hard-coded…

Rule-based modeling is a powerful way to model kinetic interactions in biochemical systems. Rules enable a precise encoding of biochemical interactions at the resolution of sites within molecules, but obtaining an integrated global view…

Quantitative Methods · Quantitative Biology 2015-09-04 John A. P. Sekar , Jose-Juan Tapia , James R. Faeder

Effective data visualization is a key part of the discovery process in the era of big data. It is the bridge between the quantitative content of the data and human intuition, and thus an essential component of the scientific path from data…

This paper introduces a novel method of analysis for SoC development building upon commonly used tools and techniques to approximate and automate the human process of investigation. Knowledge of the interactions between components within a…

Signal Processing · Electrical Eng. & Systems 2019-05-17 Dave McEwan , Marcin Hlond , Jose Nunez-Yanez

We present our in-progress work on co-designing a visualization tool for presenting unstructured text. We have conducted a focus group with a variety of professionals who regularly analyze large corpora of unstructured text. Our preliminary…

Human-Computer Interaction · Computer Science 2024-07-04 Beck Langstone , Fateme Rajabiyazdi

Several visualization schemes have been developed for imaging materials at the atomic level through atom probe tomography. The main shortcoming of these tools is their inability to parallel process data using multi-core computing units to…

Materials Science · Physics 2012-02-07 Hari Dahal , Michael Stukowski , Matthias J. Graf , Alexander V. Balatsky , Krishna Rajan

We present encube $-$ a qualitative, quantitative and comparative visualisation and analysis system, with application to high-resolution, immersive three-dimensional environments and desktop displays. encube extends previous comparative…

Software visualizations are usually realized as standalone and isolated tools that use embedded code viewers within the visualization. In the context of program comprehension, only few approaches integrate visualizations into code editors,…

Software Engineering · Computer Science 2023-08-31 Alexander Krause-Glau , Wilhelm Hasselbring

The complexity of molecular and cellular processes forces experimental studies to focus on subsystems. To study the functioning of biological systems across levels of structural and functional organisation, we require tools to compose and…

Molecular Networks · Quantitative Biology 2026-01-26 Adittya Chaudhuri , Ralf Köhl , Olaf Wolkenhauer

Various data visualization applications such as reverse engineering and interactive authoring require a vocabulary that describes the structure of visualization scenes and the procedure to manipulate them. A few scene abstractions have been…

Human-Computer Interaction · Computer Science 2024-08-12 Zhicheng Liu , Chen Chen , John Hooker
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