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As data volumes continue to grow, clustering and outlier detection algorithms are becoming increasingly time-consuming. Classical index structures for neighbor search are no longer sustainable due to the "curse of dimensionality". Instead,…

Databases · Computer Science 2021-05-12 Li Wang

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Range Minimum Query (RMQ) is an important building brick of many compressed data structures and string matching algorithms. Although this problem is essentially solved in theory, with sophisticated data structures allowing for constant time…

Data Structures and Algorithms · Computer Science 2017-11-29 Tomasz Kowalski , Szymon Grabowski

Large scale initiatives such as the Human Genome Project, Structural Genomics, and individual research teams have provided large deposits of genomic and proteomic data. The transfer of data to knowledge has become one of the existing…

Databases · Computer Science 2019-11-21 Casey A Cole , Christopher Ott , Diego Valdes , Homayoun Valafar

A variety of methods have been proposed for structure similarity calculation, which are called structure alignment or superposition. One major shortcoming in current structure alignment algorithms is in their inherent design, which is based…

Quantitative Methods · Quantitative Biology 2013-07-31 Xuefeng Cui , Shuai Cheng Li , Dongbo Bu , Ming Li

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Nearest neighbor search is fundamental to a wide range of applications. Since the exact nearest neighbor search suffers from the "curse of dimensionality", approximate approaches, such as Locality-Sensitive Hashing (LSH), are widely used to…

Databases · Computer Science 2021-04-14 Huan Hu , Jianzhong Li

Similarity search in high-dimensional spaces is an important task for many multimedia applications. Due to the notorious curse of dimensionality, approximate nearest neighbor techniques are preferred over exact searching techniques since…

Databases · Computer Science 2020-10-16 Omid Jafari , Parth Nagarkar , Jonathan Montaño

Initial protein structural comparisons were sequence-based. Since amino acids that are distant in the sequence can be close in the 3-dimensional (3D) structure, 3D contact approaches can complement sequence approaches. Traditional 3D…

Molecular Networks · Quantitative Biology 2017-03-01 Fazle E. Faisal , Julie L. Chaney , Khalique Newaz , Jun Li , Scott J. Emrich , Patricia L. Clark , Tijana Milenkovic

Set similarity search is a problem of central interest to a wide variety of applications such as data cleaning and web search. Past approaches on set similarity search utilize either heavy indexing structures, incurring large search costs…

Databases · Computer Science 2021-07-23 Yifan Li , Xiaohui Yu , Nick Koudas

We study the $r$-near neighbors reporting problem ($r$-NN), i.e., reporting \emph{all} points in a high-dimensional point set $S$ that lie within a radius $r$ of a given query point $q$. Our approach builds upon on the locality-sensitive…

Databases · Computer Science 2017-03-29 Ninh Pham

Recognition and binding of specific sites on DNA by proteins is central for many cellular functions such as transcription, replication, and recombination. In the process of recognition, a protein rapidly searches for its specific site on a…

Biomolecules · Quantitative Biology 2007-05-23 Michael Slutsky , Leonid A. Mirny

Similarity search is critical for many database applications, including the increasingly popular online services for Content-Based Multimedia Retrieval (CBMR). These services, which include image search engines, must handle an overwhelming…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-10-16 Thiago S. F. X. Teixeira , George Teodoro , Eduardo Valle , Joel H. Saltz

We study an indexing architecture to store and search in a database of high-dimensional vectors from the perspective of statistical signal processing and decision theory. This architecture is composed of several memory units, each of which…

Computer Vision and Pattern Recognition · Computer Science 2017-03-03 Ahmet Iscen , Teddy Furon , Vincent Gripon , Michael Rabbat , Hervé Jégou

A multitude of measures have been proposed to quantify the similarity between protein 3-D structure. Among these measures, contact map overlap (CMO) maximization deserved sustained attention during past decade because it offers a fine…

Quantitative Methods · Quantitative Biology 2009-04-20 Rumen Andonov , Nicola Yanev , Noël Malod-Dognin

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Structural relationships among proteins are important in the study of their evolution as well as in drug design and development. The protein 3D structure has been shown to be effective with respect to classifying proteins. Prior work has…

Biomolecules · Quantitative Biology 2016-02-26 James DeFelice , Vicente M. Reyes

Protein structure prediction is one of the most important problems in computational biology. The most successful computational approach, also called template-based modeling, identifies templates with solved crystal structures for the query…

Biomolecules · Quantitative Biology 2013-06-20 Jian Peng

High-utility sequential pattern mining (HUSPM) has recently emerged as a focus of intense research interest. The main task of HUSPM is to find all subsequences, within a quantitative sequential database, that have high utility with respect…

Databases · Computer Science 2020-11-30 Chunkai Zhang , Zilin Du , Wensheng Gan , Philip S. Yu

Hash based nearest neighbor search has become attractive in many applications. However, the quantization in hashing usually degenerates the discriminative power when using Hamming distance ranking. Besides, for large-scale visual search,…

Information Retrieval · Computer Science 2019-04-19 Xianglong Liu , Lei Huang , Cheng Deng , Bo Lang , Dacheng Tao
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