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The main contribution of this paper is the development of a new decision tree algorithm. The proposed approach allows users to guide the algorithm through the data partitioning process. We believe this feature has many applications but in…

Machine Learning · Statistics 2020-10-27 Cédric Beaulac , Jeffrey S. Rosenthal

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Cluster-based descriptions of biological networks have received much attention in recent years fostered by accumulated evidence of the existence of meaningful correlations between topological network clusters and biological functional…

Molecular Networks · Quantitative Biology 2015-08-19 Ariel Berenstein , Janet Piñero , Laura Ines Furlong , Ariel Chernomoretz

Traditional statistical and measurements are unable to solve all industrial data in the right way and appropriate time. Open markets mean the customers are increased, and production must increase to provide all customer requirements.…

General Economics · Economics 2020-11-26 Hamza Saad

Despite the recognized importance of the multi-scale spatio-temporal organization of proteins, most computational tools can only access a limited spectrum of time and spatial scales, thereby ignoring the effects on protein behavior of the…

Biomolecules · Quantitative Biology 2011-09-21 Antoine Delmotte , Edward W Tate , Sophia N Yaliraki , Mauricio Barahona

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Despite the significant increase in computational power, molecular modeling of protein structure using classical all-atom approaches remains inefficient, at least for most of the protein targets in the focus of biomedical research. Perhaps…

Biomolecules · Quantitative Biology 2016-11-01 Sebastian Kmiecik , Andrzej Kolinski

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Machine Learning · Computer Science 2025-10-23 Xinzhe Zheng , Hao Du , Fanding Xu , Jinzhe Li , Zhiyuan Liu , Wenkang Wang , Tao Chen , Wanli Ouyang , Stan Z. Li , Yan Lu , Nanqing Dong , Yang Zhang

Global optimization of decision trees is a long-standing challenge in combinatorial optimization, yet such models play an important role in interpretable machine learning. Although the problem has been investigated for several decades, only…

Machine Learning · Computer Science 2026-02-03 Jiancheng Tu , Wenqi Fan , Zhibin Wu

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

Unbiased, label-free proteomics is becoming a powerful technique for measuring protein expression in almost any biological sample. The output of these measurements after preprocessing is a collection of features and their associated…

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

What are proteins made from, as the working parts of the living cells protein machines? To answer this question, we need a technology to disassemble proteins onto elementary func-tional details and to prepare lumped description of such…

Biomolecules · Quantitative Biology 2007-11-05 A. N. Gorban , M. Kudryashev , T. Popova

Traditional indexing techniques commonly employed in da\-ta\-ba\-se systems perform poorly on multidimensional array scientific data. Bitmap indices are widely used in commercial databases for processing complex queries, due to their…

Databases · Computer Science 2021-09-01 Luboš Krčál , Shen-Shyang Ho , Jan Holub

Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier…

Quantitative Methods · Quantitative Biology 2026-05-22 Kingsley Yeon , Xuefeng Liu , Promit Ghosal

Essential protein plays a crucial role in the process of cell life. The identification of essential proteins can not only promote the development of drug target technology, but also contribute to the mechanism of biological evolution. There…

Molecular Networks · Quantitative Biology 2020-05-20 Pengli Lu , JingJuan Yu

Large-scale industrial recommender systems are usually confronted with computational problems due to the enormous corpus size. To retrieve and recommend the most relevant items to users under response time limits, resorting to an efficient…

Information Retrieval · Computer Science 2019-11-21 Han Zhu , Daqing Chang , Ziru Xu , Pengye Zhang , Xiang Li , Jie He , Han Li , Jian Xu , Kun Gai

An important problem in shape analysis is to match configurations of points in space filtering out some geometrical transformation. In this paper we introduce hierarchical models for such tasks, in which the points in the configurations are…

Statistics Theory · Mathematics 2010-03-23 Peter J. Green , Kanti Mardia

Indexing massive data sets is extremely expensive for large scale problems. In many fields, huge amounts of data are currently generated, however extracting meaningful information from voluminous data sets, such as computing similarity…

Data Structures and Algorithms · Computer Science 2017-03-27 Camille Marchet , Lolita Lecompte , Antoine Limasset , Lucie Bittner , Pierre Peterlongo
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