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Binary segmentation, which is sequential in nature is thus far the most widely used method for identifying multiple change points in statistical models. Here we propose a top down methodology called arbitrary segmentation that proceeds in a…

Statistics Theory · Mathematics 2019-06-12 Abhishek Kaul , Venkata K Jandhyala , Stergios B Fotopoulos

Free energy landscapes encode the kinetics, intermediates, and transition states that govern molecular processes and are thus a key target of single biomolecule research. Typical approaches to deriving optimal, error-minimizing,…

Biological Physics · Physics 2025-11-25 Oliver Cheng , Zosia Adamska , Michael P. Brenner , Megan C. Engel

Magnetic Particle Imaging is an emerging imaging modality through which it is possible to detect tracers containing superparamagnetic nanoparticles. The exposure of the particles to dynamic magnetic fields generates a non-linear response…

Numerical Analysis · Mathematics 2024-06-19 Vladyslav Gapyak , Thomas März , Andreas Weinmann

We introduce a statistical physics inspired supervised machine learning algorithm for classification and regression problems. The method is based on the invariances or stability of predicted results when known data is represented as…

Machine Learning · Statistics 2018-11-19 Patrick Chao , Tahereh Mazaheri , Bo Sun , Nicholas B. Weingartner , Zohar Nussinov

The high computational complexity and increasing parameter counts of deep neural networks pose significant challenges for deployment in resource-constrained environments, such as edge devices or real-time systems. To address this, we…

Machine Learning · Computer Science 2025-06-17 Laura Erb , Tommaso Boccato , Alexandru Vasilache , Juergen Becker , Nicola Toschi

We propose a versatile, parameter-less approach for solving the shape matching problem, specifically in the context of atomic structures when atomic assignments are not known a priori. The algorithm Iteratively suggests Rotated…

Computational Physics · Physics 2021-11-02 Miha Gunde , Nicolas Salles , Anne Hémeryck , Layla Martin-Samos

Motivated by the problem of determining the atomic structure of macromolecules using single-particle cryo-electron microscopy (cryo-EM), we study the sample and computational complexities of the sparse multi-reference alignment (MRA) model:…

Information Theory · Computer Science 2021-09-27 Tamir Bendory , Oscar Mickelin , Amit Singer

A growing number of RNA sequences are now known to have distributions of multiple stable sequences. Recent algorithms use the list of nucleotides in a sequence and auxiliary experimental data to predict such distributions. Although the…

Combinatorics · Mathematics 2020-09-14 Torin Greenwood , Christine E. Heitsch

An efficient computational approach for optimal reconstructing parameters of binary-type physical properties for models in biomedical applications is developed and validated. The methodology includes gradient-based multiscale optimization…

Computational Physics · Physics 2020-12-24 Priscilla M. Koolman , Vladislav Bukshtynov

Block-sparse regularization is already well-known in active thermal imaging and is used for multiple measurement based inverse problems. The main bottleneck of this method is the choice of regularization parameters which differs for each…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Samim Ahmadi , Jan Christian Hauffen , Linh Kästner , Peter Jung , Giuseppe Caire , Mathias Ziegler

Sampling-based motion-planning algorithms typically rely on nearest-neighbor (NN) queries when constructing a roadmap. Recent results suggest that in various settings NN queries may be the computational bottleneck of such algorithms.…

Robotics · Computer Science 2014-09-30 Michal Kleinbort , Oren Salzman , Dan Halperin

Particle track reconstruction, in which the trajectories of charged particles are determined, is a critical and time consuming component of the full event reconstruction chain. The underlying software is complex and consists of a number of…

High Energy Physics - Experiment · Physics 2023-01-24 Rocky Bala Garg , Elyssa Hofgard , Lauren Tompkins , Heather Gray

In this paper, we proposed a novel two-stage optimization method for network community partition, which is based on inherent network structure information. The introduced optimization approach utilizes the new network centrality measure of…

Social and Information Networks · Computer Science 2019-07-16 Yiguang Bai , Sanyang Liu , Ke Yin , Jing Yuan

Traditionally, an artificial neural network (ANN) is trained slowly by a gradient descent algorithm such as the backpropagation algorithm since a large number of hyperparameters of the ANN need to be fine-tuned with many training epochs. To…

Machine Learning · Computer Science 2020-01-27 Luna M. Zhang

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures…

Chemical Physics · Physics 2025-09-03 Yongqi Jin , Jun-Jie Wang , Fanjie Xu , Xiaohong Ji , Zhifeng Gao , Linfeng Zhang , Guolin Ke , Rong Zhu , Weinan E

We here introduce a novel classification approach adopted from the nonlinear model identification framework, which jointly addresses the feature selection and classifier design tasks. The classifier is constructed as a polynomial expansion…

Machine Learning · Computer Science 2016-07-29 Aida Brankovic , Alessandro Falsone , Maria Prandini , Luigi Piroddi

RNA structure prediction is a challenging problem, especially with pseudoknots. Recently, there has been a shift from the classical minimum free energy-based methods (MFE) to partition function-based ones that assemble structures using…

Biomolecules · Quantitative Biology 2020-01-10 Liang Zhang , He Zhang , David H. Mathews , Liang Huang

RNA-Seq technology offers new high-throughput ways for transcript identification and quantification based on short reads, and has recently attracted great interest. The problem is usually modeled by a weighted splicing graph whose nodes…

Quantitative Methods · Quantitative Biology 2013-08-02 Alexandru I. Tomescu , Anna Kuosmanen , Romeo Rizzi , Veli Mäkinen

Panel-based, kernel-split quadrature is currently one of the most efficient methods available for accurate evaluation of singular and nearly singular layer potentials in two dimensions. However, it can fail completely for the layer…

Numerical Analysis · Mathematics 2022-01-20 Fredrik Fryklund , Ludvig af Klinteberg , Anna-Karin Tornberg

Distributed systems can be found in various applications, e.g., in robotics or autonomous driving, to achieve higher flexibility and robustness. Thereby, data flow centric applications such as Deep Neural Network (DNN) inference benefit…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-14 Fabian Kreß , El Mahdi El Annabi , Tim Hotfilter , Julian Hoefer , Tanja Harbaum , Juergen Becker