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The rise of graph analytic systems has created a need for ways to measure and compare the capabilities of these systems. Graph analytics present unique scalability difficulties. The machine learning, high performance computing, and visual…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-07 Siddharth Samsi , Vijay Gadepally , Michael Hurley , Michael Jones , Edward Kao , Sanjeev Mohindra , Paul Monticciolo , Albert Reuther , Steven Smith , William Song , Diane Staheli , Jeremy Kepner

Multiplexed immunofluorescence provides an unprecedented opportunity for studying specific cell-to-cell and cell microenvironment interactions. We employ graph neural networks to combine features obtained from tissue morphology with…

Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected…

Machine Learning · Computer Science 2024-11-26 Igor V. Tetko , Ruud van Deursen , Guillaume Godin

Barrett is a Python package for processing and visualising statistical inferences made using the nested sampling algorithm MultiNest. The main differential feature from competitors are full out-of-core processing allowing barrett to handle…

Computation · Statistics 2016-11-17 Sebastian Liem

t-Distributed Stochastic Neighbor Embedding (t-SNE) for the visualization of multidimensional data has proven to be a popular approach, with successful applications in a wide range of domains. Despite their usefulness, t-SNE projections can…

Machine Learning · Computer Science 2024-04-19 Angelos Chatzimparmpas , Rafael M. Martins , Andreas Kerren

Scatterplots are a common tool for exploring multidimensional datasets, especially in the form of scatterplot matrices (SPLOMs). However, scatterplots suffer from overplotting when categorical variables are mapped to one or two axes, or the…

Human-Computer Interaction · Computer Science 2025-11-18 Deokgun Park , Sung-Hee Kim , Niklas Elmqvist

Applications integrating analysis components require a programmable interface which defines statistical operations independently of any programming language. By separating concerns of scientific computing from application and implementation…

Computation · Statistics 2014-06-19 Jeroen Ooms

Projection algorithms such as t-SNE or UMAP are useful for the visualization of high dimensional data, but depend on hyperparameters which must be tuned carefully. Unfortunately, iteratively recomputing projections to find the optimal…

Machine Learning · Computer Science 2021-06-28 Gabriel Appleby , Mateus Espadoto , Rui Chen , Samuel Goree , Alexandru Telea , Erik W Anderson , Remco Chang

We propose Parameter Space Analysis through Guided Visual Interpolations (ParamInter), a novel tool for high-dimensional input parameter space analysis by making interpolation towards optimal parameter sets explorable using guided…

Computational Engineering, Finance, and Science · Computer Science 2026-05-05 Benedikt Kantz , Peter Waldert , Stefan Lengauer , Clemens Staudinger , Stefan Schuster , Tobias Schreck

Statistical practices such as building regression models or running hypothesis tests rely on following rigorous procedures of steps and verifying assumptions on data to produce valid results. However, common statistical tools do not verify…

Human-Computer Interaction · Computer Science 2024-10-02 Yuqi Zhang , Adam Perer , Will Epperson

Radio astronomy observatories with high throughput back end instruments require real-time data processing. While computing hardware continues to advance rapidly, development of real-time processing pipelines remains difficult and…

We present HyperFLINT (Hypernetwork-based FLow estimation and temporal INTerpolation), a novel deep learning-based approach for estimating flow fields, temporally interpolating scalar fields, and facilitating parameter space exploration in…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Hamid Gadirov , Qi Wu , David Bauer , Kwan-Liu Ma , Jos Roerdink , Steffen Frey

As supercomputers continue to grow in scale and capabilities, it is becoming increasingly difficult to isolate processor and system level causes of performance degradation. Over the last several years, a significant number of performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-03-03 Hari K. Pyla , Bharath Ramesh , Calvin J. Ribbens , Srinidhi Varadarajan

To harness the full benefit of new computing platforms, it is necessary to develop software with parallel computing capabilities. This is no less true for statisticians than for astrophysicists. The R programming language, which is perhaps…

Computation · Statistics 2017-09-08 George Ostrouchov , Wei-Chen Chen , Drew Schmidt

Probabilistic graphical modeling is a branch of machine learning that uses probability distributions to describe the world, make predictions, and support decision-making under uncertainty. Underlying this modeling framework is an elegant…

Machine Learning · Computer Science 2025-07-24 Jacqueline Maasch , Willie Neiswanger , Stefano Ermon , Volodymyr Kuleshov

Parallel coordinate plots (PCPs) are among the most useful techniques for the visualization and exploration of high-dimensional data spaces. They are especially useful for the representation of correlations among the dimensions, which…

Human-Computer Interaction · Computer Science 2016-09-20 Takayuki Itoh , Ashnil Kumar , Karsten Klein , Jinman Kim

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates in an active learning context, with a training objective that makes them approximately sample in proportion to a given reward…

Machine Learning · Computer Science 2026-01-27 Yoshua Bengio , Salem Lahlou , Tristan Deleu , Edward J. Hu , Mo Tiwari , Emmanuel Bengio

Scientific data sets continue to increase in both size and complexity. In the past, dedicated graphics systems at supercomputing centers were required to visualize large data sets, but as the price of commodity graphics hardware has dropped…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 P. R. Gazis , C. Levit , M. J. Way

The problem of joint estimation of multiple graphical models from high dimensional data has been studied in the statistics and machine learning literature, due to its importance in diverse fields including molecular biology, neuroscience…

Methodology · Statistics 2019-07-04 Peyman Jalali , Kshitij Khare , George Michailidis

Methods to find correlation among variables are of interest to many disciplines, including statistics, machine learning, (big) data mining and neurosciences. Parameters that measure correlation between two variables are of limited utility…

Machine Learning · Computer Science 2017-07-03 Alessandro Fontana