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High-performance computing (HPC) is reshaping computational drug discovery by enabling large-scale, time-efficient molecular simulations. In this work, we explore HPC-driven pipelines for Alzheimer's disease drug discovery, focusing on…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-03 Paul Ruiz Alliata , Diana Rubaga , Daniel Kumlin , Alberto Puliga

TimeCluster is a visual analytics technique for discovering structure in long multivariate time series by projecting overlapping windows of data into a low-dimensional space. We show that, when Principal Component Analysis (PCA) is chosen…

Machine Learning · Computer Science 2025-09-17 Christian L. Hines , Samuel Spillard , Daniel P. Martin

The development of multicore architectures supporting parallel data processing has led to a paradigm shift, which affects communication systems significantly. This article provides a scalable parallel approach of an iterative LDPC decoder,…

Information Theory · Computer Science 2020-01-31 Jan Broulim , Alexander Ayriyan , Vjaceslav Georgiev , Hovik Grigorian

Following a series of high-profile drug safety disasters in recent years, many countries are redoubling their efforts to ensure the safety of licensed medical products. Large-scale observational databases such as claims databases or…

Computation · Statistics 2012-08-07 Marc A. Suchard , Shawn E. Simpson , Ivan Zorych , Patrick Ryan , David Madigan

We are living in the big data age: An ever increasing amount of data is being produced through data acquisition and computer simulations. While large scale analysis and simulations have received significant attention for cloud and…

Graphics · Computer Science 2019-02-26 Stefan Eilemann

Categorical data does not have an intrinsic definition of distance or order, and therefore, established visualization techniques for categorical data only allow for a set-based or frequency-based analysis, e.g., through Euler diagrams or…

Human-Computer Interaction · Computer Science 2025-01-15 Frederik L. Dennig , Lucas Joos , Patrick Paetzold , Daniela Blumberg , Oliver Deussen , Daniel A. Keim , Maximilian T. Fischer

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

Dynamic programming is a powerful technique that is, unfortunately, often inherently sequential. That is, there exists no unified method to parallelize algorithms that use dynamic programming. In this paper, we attempt to address this issue…

Data Structures and Algorithms · Computer Science 2018-09-18 MohammadHossein Bateni , Soheil Behnezhad , Mahsa Derakhshan , MohammadTaghi Hajiaghayi , Vahab Mirrokni

In practical applications, we often have to deal with high order data, such as a grayscale image and a video sequence are intrinsically 2nd-order tensor and 3rd-order tensor, respectively. For doing clustering or classification of these…

Computer Vision and Pattern Recognition · Computer Science 2012-03-06 Shu Kong , Donghui Wang

Concurrent data structures are the data sharing side of parallel programming. Data structures give the means to the program to store data, but also provide operations to the program to access and manipulate these data. These operations are…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-02-13 Daniel Cederman , Anders Gidenstam , Phuong Ha , Håkan Sundell , Marina Papatriantafilou , Philippas Tsigas

Data visualisation is a fundamental tool in statistical analysis, enabling the identification of patterns and relationships that might otherwise remain hidden in raw data. One of the most famous historical examples is John Snow's 1854…

Methodology · Statistics 2025-04-22 Niamh Mimnagh

Multidimensional scaling visualizes dissimilarities among objects and reduces data dimensionality. While many methods address symmetric proximity data, asymmetric and especially three-way proximity data (capturing relationships across…

Methodology · Statistics 2025-11-21 Aleix Alcacer , Rafael Benitez , Vicente J. Bolos , Irene Epifanio

We describe a technique for bundled curve representations in parallel-coordinates plots and present a controlled user study evaluating their effectiveness. Replacing the traditional C^0 polygonal lines by C^1 continuous piecewise Bezier…

Graphics · Computer Science 2015-03-19 Julian Heinrich , Yuan Luo , Arthur E. Kirkpatrick , Hao Zhang , Daniel Weiskopf

Accurate time series forecasting is a fundamental challenge in data science. It is often affected by external covariates such as weather or human intervention, which in many applications, may be predicted with reasonable accuracy. We refer…

Machine Learning · Computer Science 2023-08-01 Jimeng Shi , Rukmangadh Myana , Vitalii Stebliankin , Azam Shirali , Giri Narasimhan

Clustering algorithms are one of the main analytical methods to detect patterns in unlabeled data. Existing clustering methods typically treat samples in a dataset as points in a metric space and compute distances to group together similar…

Machine Learning · Computer Science 2021-10-12 Tarek Naous , Srinjay Sarkar , Abubakar Abid , James Zou

Finding coarse representations of large graphs is an important computational problem in the fields of scientific computing, large scale graph partitioning, and the reduction of geometric meshes. Of particular interest in all of these fields…

Discrete Mathematics · Computer Science 2022-04-26 Christopher Brissette , Andy Huang , George Slota

Inferring the causal direction between two variables from their observation data is one of the most fundamental and challenging topics in data science. A causal direction inference algorithm maps the observation data into a binary value…

Machine Learning · Computer Science 2020-06-08 Yulai Zhang , Jiachen Wang , Gang Cen , Guiming Luo

We introduce conditional unigram tokenization, a novel approach that extends unigram tokenization by conditioning target token probabilities on source-language tokens from parallel data. Given a fixed source tokenizer, our method learns a…

Computation and Language · Computer Science 2025-07-11 Gianluca Vico , Jindřinch Libovický

Large-scale recommendation systems are pivotal to process an immense volume of daily user interactions, requiring the effective modeling of high cardinality and heterogeneous features to ensure accurate predictions. In prior work, we…

Information Retrieval · Computer Science 2025-08-19 Yue Dong , Han Li , Shen Li , Nikhil Patel , Xing Liu , Xiaodong Wang , Chuanhao Zhuge

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry