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Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

In a previous paper [CSIAM Trans. Appl. Math. 2 (2021), 1-55], the authors proposed a theoretical framework for the analysis of RNA velocity, which is a promising concept in scRNA-seq data analysis to reveal the cell state-transition…

Numerical Analysis · Mathematics 2025-02-25 Tiejun Li , Yizhuo Wang , Guoguo Yang , Peijie Zhou

It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution. Hence, prediction of conserved secondary structures from…

Biomolecules · Quantitative Biology 2013-07-09 Michiaki Hamada

Among the reasons hindering reinforcement learning (RL) applications to real-world problems, two factors are critical: limited data and the mismatch between the testing environment (real environment in which the policy is deployed) and the…

Machine Learning · Computer Science 2023-01-30 Xiaoteng Ma , Zhipeng Liang , Jose Blanchet , Mingwen Liu , Li Xia , Jiheng Zhang , Qianchuan Zhao , Zhengyuan Zhou

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic resolution in some…

Quantitative Methods · Quantitative Biology 2022-01-26 Mu Gao , Mark Coletti , Russell B. Davidson , Ryan Prout , Subil Abraham , Benjamin Hernandez , Ada Sedova

Computational protein structure determination involves optimization in a problem space much too large to exhaustively search. Existing approaches include optimization algorithms such as gradient descent and simulated annealing, but these…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-04 Michael Bryson , Xijiang Miao , Homayoun Valafar

Deep neural networks such as AlphaFold and RoseTTAFold predict remarkably accurate structures of proteins compared to other algorithmic approaches. It is known that biologically small perturbations in the protein sequence do not lead to…

Biomolecules · Quantitative Biology 2021-09-21 Sumit Kumar Jha , Arvind Ramanathan , Rickard Ewetz , Alvaro Velasquez , Susmit Jha

Background: We study the sparsification of dynamic programming folding algorithms of RNA structures. Sparsification applies to the mfe-folding of RNA structures and can lead to a significant reduction of time complexity. Results: We analyze…

Combinatorics · Mathematics 2012-02-07 Fenix W. D. Huang , Christian M. Reidys

In genomics, pattern matching against a sequence of nucleotides plays a pivotal role for DNA sequence alignment and comparing genomes. This helps tackling some diseases, such as cancer in humans. The complexity of searching biological…

Quantitative Methods · Quantitative Biology 2017-10-04 Fereshte Mozafari , Hossein Babashah , Somayyeh Koohi , Zahra Kavehvash

Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions,…

Machine Learning · Computer Science 2021-06-01 Jiaxiang Wu , Shitong Luo , Tao Shen , Haidong Lan , Sheng Wang , Junzhou Huang

Real-world problems of operations research are typically high-dimensional and combinatorial. Linear programs are generally used to formulate and efficiently solve these large decision problems. However, in multi-period decision problems, we…

Machine Learning · Computer Science 2019-02-27 Wouter van Heeswijk , Han La Poutré

We introduce a just-in-time runtime program transformation strategy based on repeated recursion unfolding. Our online program optimization generates several versions of a recursion differentiated by the minimal number of recursive steps…

Programming Languages · Computer Science 2025-11-05 Thom Fruehwirth

We study the theoretical problem of synthesizing multiple DNA strands under spatial constraints, motivated by large-scale DNA synthesis technologies. In this setting, strands are arranged in an array and synthesized according to a fixed…

Information Theory · Computer Science 2026-01-14 Boaz Moav , Ryan Gabrys , Eitan Yaakobi

It is not easy to design and run Convolutional Neural Networks (CNNs) due to: 1) finding the optimal number of filters (i.e., the width) at each layer is tricky, given an architecture; and 2) the computational intensity of CNNs impedes the…

Machine Learning · Computer Science 2019-05-14 Xiaohan Ding , Guiguang Ding , Yuchen Guo , Jungong Han , Chenggang Yan

RNA secondary structure folding kinetics is known to be important for the biological function of certain processes, such as the hok/sok system in E. coli. Although linear algebra provides an exact computational solution of secondary…

Biomolecules · Quantitative Biology 2017-07-14 Peter Clote , Amir H. Bayegan

Non-coding RNA structure and function are essential to understanding various biological processes, such as cell signaling, gene expression, and post-transcriptional regulations. These are all among the core problems in the RNA field. With…

Quantitative Methods · Quantitative Biology 2022-08-09 Jiayang Chen , Zhihang Hu , Siqi Sun , Qingxiong Tan , Yixuan Wang , Qinze Yu , Licheng Zong , Liang Hong , Jin Xiao , Tao Shen , Irwin King , Yu Li

We describe the first nearly linear-time approximation algorithms for explicitly given mixed packing/covering linear programs, and for (non-metric) fractional facility location. We also describe the first parallel algorithms requiring only…

Data Structures and Algorithms · Computer Science 2014-11-06 Neal E. Young

In this paper we consider the problem of computing an mRNA sequence of maximal similarity for a given mRNA of secondary structure constraints, introduced by Backofen et al. in [BNS02] denoted as the MRSO problem. The problem is known to be…

Data Structures and Algorithms · Computer Science 2007-05-23 Frank Gurski

Ribonucleic Acid (RNA) can fold into shapes that perform functions in the cell. These foldings are governed by Watson-Crick base pairing, namely Adenine to Uracil and Cytosine to Guanine (A-U and G-C). The properties of the H-P…

Combinatorics · Mathematics 2018-12-18 Ben Y. Maron

We present the Scalable Nucleotide Alignment Program (SNAP), a new short and long read aligner that is both more accurate (i.e., aligns more reads with fewer errors) and 10-100x faster than state-of-the-art tools such as BWA. Unlike recent…

Data Structures and Algorithms · Computer Science 2011-11-24 Matei Zaharia , William J. Bolosky , Kristal Curtis , Armando Fox , David Patterson , Scott Shenker , Ion Stoica , Richard M. Karp , Taylor Sittler
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