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We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of…

Strongly Correlated Electrons · Physics 2023-01-11 Hui Shao , Anders W. Sandvik

Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…

Soft Condensed Matter · Physics 2021-02-11 Ashkan Shekaari , Mahmoud Jafari

In this article, the reproducing kernel Hilbert space [0, 1] is employed for solving a class of third-order periodic boundary value problem by using fitted reproducing kernel algorithm. The reproducing kernel function is built to get fast…

Numerical Analysis · Mathematics 2017-04-18 Asad Freihat , Radwan Abu-Gdairi , Hammad Khalil , Eman Abuteen , Mohammed Al-Smadi , Rahmat Ali Khan

RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, experimental determination of RNA structures through X-ray…

Biomolecules · Quantitative Biology 2015-06-11 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

Functional or non-coding RNAs are attracting more attention as they are now potentially considered valuable resources in the development of new drugs intended to cure several human diseases. The identification of drugs targeting the…

Genomics · Quantitative Biology 2019-12-25 Muhammad Nabeel Asima , Muhammad Imran Malik , Andreas Dengela , Sheraz Ahmed

Constraint Satisfaction Problem (CSP) is a fundamental algorithmic problem that appears in many areas of Computer Science. It can be equivalently stated as computing a homomorphism $\mbox{$\bR \rightarrow \bGamma$}$ between two relational…

Computational Complexity · Computer Science 2015-10-27 Vladimir Kolmogorov , Michal Rolinek , Rustem Takhanov

Motivation: Standard algorithms for pairwise protein sequence alignment make the simplifying assumption that amino acid substitutions at neighboring sites are uncorrelated. This assumption allows implementation of fast algorithms for…

Biomolecules · Quantitative Biology 2014-05-27 Gavin E. Crooks , Richard E. Green , Steven E. Brenner

We study the non restoration of symmetries with a local order parameter in field theory at finite temperature. After giving an interpretation of the phenomenon, we show that hierarchy problems are a necessary condition for its realization…

High Energy Physics - Phenomenology · Physics 2009-10-30 Jean Orloff

Low rank tensor learning, such as tensor completion and multilinear multitask learning, has received much attention in recent years. In this paper, we propose higher order matching pursuit for low rank tensor learning problems with a convex…

Machine Learning · Statistics 2015-03-10 Yuning Yang , Siamak Mehrkanoon , Johan A. K. Suykens

Transcriptome assembly from RNA-Seq reads is an active area of bioinformatics research. The ever-declining cost and the increasing depth of RNA-Seq have provided unprecedented opportunities to better identify expressed transcripts. However,…

Computational Engineering, Finance, and Science · Computer Science 2013-06-07 Tin Chi Nguyen , Zhiyu Zhao , Dongxiao Zhu

Proteins created by combinatorial methods in vitro are an important source of information for understanding sequence-structure-function relationships. Alignments of folded proteins from combinatorial libraries can be analyzed using methods…

Biomolecules · Quantitative Biology 2007-05-23 Jeffrey B. Endelman , Jesse D. Bloom , Christopher R. Otey , Marco Landwehr , Frances H. Arnold

In the past several years, the problem of genome assembly has received considerable attention from both biologists and computer scientists. An important component of current assembly methods is the scaffolding process. This process involves…

Genomics · Quantitative Biology 2013-07-03 Karl R. B. Schmitt , Aleksey V. Zimin , Guillaume Marcaçs , James A. Yorke , Michelle Girvan

The classical Sankoff algorithm for the simultaneous folding and alignment of homologous RNA sequences is highly influential, but it suffers from two major limitations in efficiency and modeling power. First, it takes $O(n^6)$ for two…

Biomolecules · Quantitative Biology 2023-07-20 Sizhen Li , Ning Dai , He Zhang , Apoorv Malik , David H. Mathews , Liang Huang

We address the problem of recovering multiple structures of different classes in a dataset contaminated by noise and outliers. In particular, we consider geometric structures defined by a mixture of underlying parametric models (e.g. planes…

Machine Learning · Computer Science 2025-05-19 Luca Magri , Filippo Leveni , Giacomo Boracchi

We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…

Materials Science · Physics 2018-09-05 Rajesh Jha , Nirupam Chakraborti , David Diercks , Aaron Stebner , Cristian V. Ciobanu

Background: Designing amino acid sequences that are stable in a given target structure amounts to maximizing a conditional probability. A straightforward approach to accomplish this is a nested Monte Carlo where the conformation space is…

Soft Condensed Matter · Physics 2016-08-31 Anders Irbäck , Carsten Peterson , Frank Potthast , Erik Sandelin

In this article we consider the graph alignment problem from the perspective of high-dimensional statistics: we aim to estimate an unknown permutation $\pi^*$ from the observation of two correlated random adjacency matrices $A_1$, $A_2$. We…

Probability · Mathematics 2025-10-30 Laurent Massoulié

This work proposes a hierarchical clustering algorithm for high-dimensional datasets using the cyclic space of reversible finite cellular automata. In cellular automaton (CA) based clustering, if two objects belong to the same cycle, they…

Formal Languages and Automata Theory · Computer Science 2024-08-06 Baby C. J. , Kamalika Bhattacharjee

Models for RNA secondary structures (the topology of folded RNA) without pseudo knots are disordered systems with a complex state-space below a critical temperature. Hence, a complex dynamical (glassy) behavior can be expected, when…

Disordered Systems and Neural Networks · Physics 2008-02-02 S. Wolfsheimer , B. Burghardt , A. Mann , A. K. Hartmann

We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…

Biomolecules · Quantitative Biology 2007-06-13 Ivan C. Rankenburg , Veit Elser