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Understanding the dynamic behavior of proteins is critical to elucidating their functional mechanisms, yet generating realistic, temporally coherent trajectories of protein ensembles remains a significant challenge. In this work, we…

Biomolecules · Quantitative Biology 2025-11-11 Yaoyao Xu , Di Wang , Zihan Zhou , Tianshu Yu , Mingchen Chen

This paper presents a novel approach to functional principal component analysis (FPCA) in Bayes spaces in the setting where densities are the object of analysis, but only few individual samples from each density are observed. We use the…

Methodology · Statistics 2023-09-21 Lisa Steyer , Sonja Greven

We develop a new principal components analysis (PCA) type dimension reduction method for binary data. Different from the standard PCA which is defined on the observed data, the proposed PCA is defined on the logit transform of the success…

Applications · Statistics 2010-11-17 Seokho Lee , Jianhua Z. Huang , Jianhua Hu

This paper presents a new, parallel implementation of clustering and demonstrates its utility in greatly speeding up the process of identifying homologous proteins. Clustering is a technique to reduce the number of comparison needed to find…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-29 Stuart Byma , Akash Dhasade , Adrian Altenhoff , Christophe Dessimoz , James R. Larus

Data integration, or the strategic analysis of multiple sources of data simultaneously, can often lead to discoveries that may be hidden in individualistic analyses of a single data source. We develop a new unsupervised data integration…

Methodology · Statistics 2021-04-06 Tiffany M. Tang , Genevera I. Allen

Cytoskeletal motors known as motor proteins are molecules that drive cellular transport along several parallel cytoskeletal filaments and support many biological processes. Experimental evidences suggest that they interact with the nearest…

Statistical Mechanics · Physics 2017-11-22 Tripti Midha , A. K. Gupta

Due to the complexity of cancer, clustering algorithms have been used to disentangle the observed heterogeneity and identify cancer subtypes that can be treated specifically. While kernel based clustering approaches allow the use of more…

Machine Learning · Statistics 2018-11-21 Nora K. Speicher , Nico Pfeifer

Remote sensing observations, products and simulations are fundamental sources of information to monitor our planet and its climate variability. Uncovering the main modes of spatial and temporal variability in Earth data is essential to…

Atmospheric and Oceanic Physics · Physics 2020-02-12 Diego Bueso , Maria Piles , Gustau Camps-Valls

Principal component analysis (PCA) is perhaps the most widely used method for data dimensionality reduction. A key question in PCA is deciding how many factors to retain. This manuscript describes a new approach to automatically selecting…

Methodology · Statistics 2026-02-10 Enes Makalic , Daniel F. Schmidt

Clustering, a fundamental activity in unsupervised learning, is notoriously difficult when the feature space is high-dimensional. Fortunately, in many realistic scenarios, only a handful of features are relevant in distinguishing clusters.…

Machine Learning · Statistics 2020-10-23 Zhiyue Zhang , Kenneth Lange , Jason Xu

Clustering is a fundamental task in unsupervised learning. The focus of this paper is the Correlation Clustering functional which combines positive and negative affinities between the data points. The contribution of this paper is two fold:…

Computer Vision and Pattern Recognition · Computer Science 2011-12-14 Shai Bagon , Meirav Galun

This paper considers the problem of nonstationary process monitoring under frequently varying operating conditions. Traditional approaches generally misidentify the normal dynamic deviations as faults and thus lead to high false alarms.…

Systems and Control · Electrical Eng. & Systems 2021-01-22 Jingxin Zhang , Donghua Zhou , Maoyin Chen

Complexity is often exhibited in dynamical systems, where certain parameters evolve with time in a strange and chaotic nature. These systems lack predictability and are common in the physical world. Dissipative systems are one of such…

Quantile regression is useful for characterizing the conditional distribution of a response variable and understanding heterogeneity in the covariate effects at different quantiles. The rise of high-dimensional physiological data in…

Methodology · Statistics 2026-03-25 Yuanzhen Yue , Stella Self , Yichao Wu , Jiajia Zhang , Rahul Ghosal

In the past decades, exactly recovering the intrinsic data structure from corrupted observations, which is known as robust principal component analysis (RPCA), has attracted tremendous interests and found many applications in computer…

Numerical Analysis · Computer Science 2012-05-08 Risheng Liu , Zhouchen Lin , Siming Wei , Zhixun Su

Traditional load analysis is facing challenges with the new electricity usage patterns due to demand response as well as increasing deployment of distributed generations, including photovoltaics (PV), electric vehicles (EV), and energy…

Machine Learning · Computer Science 2019-02-21 Yishen Wang , Xiao Lu , Yiran Xu , Di Shi , Zhehan Yi , Jiajun Duan , Zhiwei Wang

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Subsequence clustering of multivariate time series is a useful tool for discovering repeated patterns in temporal data. Once these patterns have been discovered, seemingly complicated datasets can be interpreted as a temporal sequence of…

Machine Learning · Computer Science 2018-05-16 David Hallac , Sagar Vare , Stephen Boyd , Jure Leskovec

Model-independent analysis (MIA) methods are generally useful for analysing complex systems in which relationships between the observables are non-trivial and noise is present. Principle Component Analysis (PCA) is one of MIA methods…

Accelerator Physics · Physics 2015-06-17 Y. I. Kim , S. T. Boogert , Y. Honda , A. Lyapin , H. Park , N. Terunuma , T. Tauchi , J. Urakawa

Many processes of scientific importance are characterized by time scales that extend far beyond the reach of standard simulation techniques. To circumvent this impediment a plethora of enhanced sampling methods has been developed. One…

Computational Physics · Physics 2018-12-05 Dan Mendels , Giovannimaria Piccini , Z. Faidon Brotzakis , Yi I. Yang , Michele Parrinello
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