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Molecular dynamics (MD) simulations are powerful tools for elucidating the macroscopic physical properties of materials from microscopic atomic behaviors. However, the massive, high-dimensional datasets generated by MD simulations pose a…

Applications · Statistics 2026-03-19 Yusuke Ono , Takumi Sato , Kenji Yasuoka , Linyu Peng

Data-driven modeling plays an increasingly important role in different areas of engineering. For most of existing methods, such as genetic programming (GP), the convergence speed might be too slow for large scale problems with a large…

Neural and Evolutionary Computing · Computer Science 2017-08-16 Chen Chen , Changtong Luo , Zonglin Jiang

The use of hierarchical mixture priors with shared atoms has recently flourished in the Bayesian literature for partially exchangeable data. Leveraging on nested levels of mixtures, these models allow the estimation of a two-layered data…

Methodology · Statistics 2024-06-21 Laura D'Angelo , Francesco Denti

Statistical analysis of large and sparse graphs is a challenging problem in data science due to the high dimensionality and nonlinearity of the problem. This paper presents a fast and scalable algorithm for partitioning such graphs into…

Data Structures and Algorithms · Computer Science 2018-12-24 Hannu Reittu , Lasse Leskelä , Tomi Räty , Marco Fiorucci

Analytical approaches to model the structure of complex networks can be distinguished into two groups according to whether they consider an intensive (e.g., fixed degree sequence and random otherwise) or an extensive (e.g., adjacency…

Physics and Society · Physics 2019-02-13 Antoine Allard , Laurent Hébert-Dufresne

Co-clustering simultaneously clusters rows and columns, revealing more fine-grained groups. However, existing co-clustering methods suffer from poor scalability and cannot handle large-scale data. This paper presents a novel and scalable…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-20 Zihan Wu , Zhaoke Huang , Hong Yan

We investigate distributed memory parallel sorting algorithms that scale to the largest available machines and are robust with respect to input size and distribution of the input elements. The main outcome is that four sorting algorithms…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-17 Michael Axtmann , Peter Sanders

Visually sorted grid layouts provide an efficient method for organizing high-dimensional vectors in two-dimensional space by aligning spatial proximity with similarity relationships. This approach facilitates the effective sorting of…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Kai Uwe Barthel , Florian Tim Barthel , Peter Eisert , Nico Hezel , Konstantin Schall

The standard methods for detecting differential gene expression are mostly designed for analyzing a single gene expression experiment. When data from multiple related gene expression studies are available, separately analyzing each study is…

Methodology · Statistics 2013-11-07 Yingying Wei , Hongkai Ji

In symmetric groups, studies of permutation factorizations or triples of permutations satisfying certain conditions have a long history. One particular interesting case is when two of the involved permutations are long cycles, for which…

Combinatorics · Mathematics 2022-08-04 Ricky X. F. Chen

The robust principal component analysis (RPCA) decomposes a data matrix into a low-rank part and a sparse part. There are mainly two types of algorithms for RPCA. The first type of algorithm applies regularization terms on the singular…

Numerical Analysis · Mathematics 2021-02-02 Ningyu Sha , Lei Shi , Ming Yan

Various decision support systems are available that implement Data Mining and Data Warehousing techniques for diving into the sea of data for getting useful patterns of knowledge (pearls). Classification, regression, clustering, and many…

Cryptography and Security · Computer Science 2024-03-01 Mohammad Khalid Imam Rahmani

The proper sorting of membrane components by regulated exchange between cellular organelles is crucial to intra-cellular organisation. This process relies on the budding and fusion of transport vesicles, and should be strongly influenced by…

Biological Physics · Physics 2018-02-07 Quentin Vagne , Pierre Sens

Chemical separations data are typically analysed in the time domain using methods that integrate the discrete elution bands. Integrating the same chemical components across several samples must account for retention time drift over the…

Methodology · Statistics 2024-10-14 Michael Sorochan Armstrong , José Camacho

Principal component analysis is a simple yet useful dimensionality reduction technique in modern machine learning pipelines. In consequential domains such as college admission, healthcare and credit approval, it is imperative to take into…

Machine Learning · Computer Science 2022-02-08 Hieu Vu , Toan Tran , Man-Chung Yue , Viet Anh Nguyen

Rate variation among the sites of a molecular sequence is commonly found in applications of phylogenetic inference. Several approaches exist to account for this feature but they do not usually enable the investigator to pinpoint the sites…

Quantitative Methods · Quantitative Biology 2013-05-23 Elisa Loza-Reyes , Merrilee Hurn , Tony Robinson

In this paper, we present a novel method for co-clustering, an unsupervised learning approach that aims at discovering homogeneous groups of data instances and features by grouping them simultaneously. The proposed method uses the entropy…

Machine Learning · Statistics 2017-05-22 Charlotte Laclau , Ievgen Redko , Basarab Matei , Younès Bennani , Vincent Brault

Algorithms for community detection are usually stochastic, leading to different partitions for different choices of random seeds. Consensus clustering has proven to be an effective technique to derive more stable and accurate partitions…

Physics and Society · Physics 2019-04-23 Aditya Tandon , Aiiad Albeshri , Vijey Thayananthan , Wadee Alhalabi , Santo Fortunato

In the context of big data analysis, the divide-and-conquer methodology refers to a multiple-step process: first splitting a data set into several smaller ones; then analyzing each set separately; finally combining results from each…

Machine Learning · Statistics 2021-02-23 Xueying Chen , Jerry Q. Cheng , Min-ge Xie

Principal component analysis is a versatile tool to reduce dimensionality which has wide applications in statistics and machine learning. It is particularly useful for modeling data in high-dimensional scenarios where the number of…

Methodology · Statistics 2022-08-18 Xiaoyu Hu , Fang Yao