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We propose a new nonparametric procedure for the detection and estimation of multiple structural breaks in the autocovariance function of a multivariate (second- order) piecewise stationary process, which also identifies the components of…

Statistics Theory · Mathematics 2013-09-06 Philip Preuß , Ruprecht Puchstein , Holger Dette

The process of biomarker discovery is typically lengthy and costly, involving the phases of discovery, qualification, verification, and validation before clinical evaluation. Being able to efficiently identify the truly relevant markers in…

Applications · Statistics 2018-04-13 Lin-Yang Cheng , Bowei Xi

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

Modeling the time evolution of discrete sets of items (e.g., genetic mutations) is a fundamental problem in many biomedical applications. We approach this problem through the lens of continuous-time Markov chains, and show that the…

Machine Learning · Computer Science 2021-07-08 Alkis Gotovos , Rebekka Burkholz , John Quackenbush , Stefanie Jegelka

Time Series Alignment is a critical task in signal processing with numerous real-world applications. In practice, signals often exhibit temporal shifts and scaling, making classification on raw data prone to errors. This paper introduces a…

Machine Learning · Computer Science 2025-02-27 Alireza Nourbakhsh , Hoda Mohammadzade

A deep latent variable model is a powerful method for capturing complex distributions. These models assume that underlying structures, but unobserved, are present within the data. In this dissertation, we explore high-dimensional problems…

Machine Learning · Computer Science 2024-06-13 Khuong Vo

Deep kernel learning combines the non-parametric flexibility of kernel methods with the inductive biases of deep learning architectures. We propose a novel deep kernel learning model and stochastic variational inference procedure which…

Machine Learning · Statistics 2016-11-03 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

We present a new approach for the analysis of genome-wide expression data. Our method is designed to overcome the limitations of traditional techniques, when applied to large-scale data. Rather than alloting each gene to a single cluster,…

Biological Physics · Physics 2009-11-07 Sven Bergmann , Jan Ihmels , Naama Barkai

Acquiring plausible pathways on high-dimensional structural distributions is beneficial in several domains. For example, in the drug discovery field, a protein conformational pathway, i.e. a highly probable sequence of protein structural…

Quantitative Methods · Quantitative Biology 2025-06-04 Ziyad Oulhaj , Yoshiyuki Ishii , Kento Ohga , Kimihiro Yamazaki , Mutsuyo Wada , Yuhei Umeda , Takashi Kato , Yuichiro Wada , Hiroaki Kurihara

Recent works leveraging Graph Neural Networks to approach graph matching tasks have shown promising results. Recent progress in learning discrete distributions poses new opportunities for learning graph matching models. In this work, we…

Machine Learning · Computer Science 2021-09-14 Linfeng Liu , Michael C. Hughes , Soha Hassoun , Li-Ping Liu

The Gaussian kernel and its traditional normalizations (e.g., row-stochastic) are popular approaches for assessing similarities between data points. Yet, they can be inaccurate under high-dimensional noise, especially if the noise magnitude…

Statistics Theory · Mathematics 2023-07-12 Boris Landa , Xiuyuan Cheng

Microarray is a technology to quantitatively monitor the expression of large number of genes in parallel. It has become one of the main tools for global gene expression analysis in molecular biology research in recent years. The large…

Quantitative Methods · Quantitative Biology 2015-06-18 Min Xu

Stochastic modelling provides an indispensable tool for understanding how random events at the molecular level influence cellular functions. In practice, the common challenge is to calibrate a large number of model parameters against the…

Molecular Networks · Quantitative Biology 2015-03-17 Shuohao Liao , Tomas Vejchodsky , Radek Erban

In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our…

Quantitative Methods · Quantitative Biology 2014-04-07 Carlo Baldassi , Marco Zamparo , Christoph Feinauer , Andrea Procaccini , Riccardo Zecchina , Martin Weigt , Andrea Pagnani

Recent advances in deep learning frameworks have established valuable tools for analyzing the long-timescale behavior of complex systems such as proteins. Especially the inclusion of physical constraints, e.g. time-reversibility, was a…

Quantitative Methods · Quantitative Biology 2021-12-22 Andreas Mardt , Frank Noé

Spatial Transcriptomics (ST) is a method that captures gene expression profiles aligned with spatial coordinates. The discrete spatial distribution and the super-high dimensional sequencing results make ST data challenging to be modeled…

Machine Learning · Computer Science 2025-05-08 Qingtian Zhu , Yumin Zheng , Yuling Sang , Yifan Zhan , Ziyan Zhu , Jun Ding , Yinqiang Zheng

We present TerraBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26-fold faster inference than state-of-the-art methods while improving affinity prediction accuracy by $\sim$20\%. Current…

Traditional voxel-level multiple testing procedures in neuroimaging, mostly $p$-value based, often ignore the spatial correlations among neighboring voxels and thus suffer from substantial loss of power. We extend the…

Applications · Statistics 2016-07-29 Hai Shu , Bin Nan , Robert Koeppe

Machine learning techniques not only offer efficient tools for modelling dynamical systems from data, but can also be employed as frontline investigative instruments for the underlying physics. Nontrivial information about the original…

Data Analysis, Statistics and Probability · Physics 2021-02-24 Francesco Borra , Marco Baldovin

The dynamics of biological systems, from proteins to cells to organisms, is complex and stochastic. To decipher their physical laws, we need to bridge between experimental observations and theoretical modeling. Thanks to progress in…

Soft Condensed Matter · Physics 2024-06-05 Pierre Ronceray