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Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Random forests are a machine learning method used to automatically classify datasets and consist of a multitude of decision trees. While these random forests often have higher performance and generalize better than a single decision tree,…

Machine Learning · Computer Science 2025-07-31 Max Sondag , Christofer Meinecke , Dennis Collaris , Tatiana von Landesberger , Stef van den Elzen

Motivation: The study of diverse enzyme superfamilies can provide important insight into the relationships between protein sequence, structure and function. It is often challenging, however, to discover these relationships across a large…

Quantitative Methods · Quantitative Biology 2014-08-13 Leonard Apeltsin

We present an approach to model-based hierarchical clustering by formulating an objective function based on a Bayesian analysis. This model organizes the data into a cluster hierarchy while specifying a complex feature-set partitioning that…

Machine Learning · Computer Science 2013-01-18 Shivakumar Vaithyanathan , Byron E Dom

Spatial mapping of biodiversity is crucial to investigate spatial variations in natural communities. Several indices have been proposed in the literature to represent biodiversity as a single statistic. However, these indices only provide…

Applications · Statistics 2024-07-15 Natalia Golini , Rosaria Ignaccolo , Luigi Ippoliti , Nicola Pronello

Clustering is a class of unsupervised learning methods that has been extensively applied and studied in computer vision. Little work has been done to adapt it to the end-to-end training of visual features on large scale datasets. In this…

Computer Vision and Pattern Recognition · Computer Science 2019-03-19 Mathilde Caron , Piotr Bojanowski , Armand Joulin , Matthijs Douze

Mapping between sequence and structure is currently an open problem in structural biology. Despite many experimental and computational efforts it is not clear yet how the structure is encoded in the sequence. Answering this question may…

Biomolecules · Quantitative Biology 2013-10-08 Iddo Friedberg

Process discovery algorithms automatically extract process models from event logs, but high variability often results in complex and hard-to-understand models. To mitigate this issue, trace clustering techniques group process executions…

Machine Learning · Computer Science 2025-12-11 Jari Peeperkorn , Johannes De Smedt , Jochen De Weerdt

A comparative classification scheme provides a good basis for several approaches to understand proteins, including prediction of relations between their structure and biological function. But it remains a challenge to combine a…

Biomolecules · Quantitative Biology 2015-05-20 Shuangwei Hu , Andrei Krokhotin , Antti J. Niemi , Xubiao Peng

Pattern comparison represents a fundamental and crucial aspect of scientific modeling, artificial intelligence, and pattern recognition. Three main approaches have typically been applied for pattern comparison: (i) distances; (ii)…

Physics and Society · Physics 2024-07-12 Alexandre Benatti , Luciano da F. Costa

Identification and alignment of three-dimensional folding of proteins may yield useful information about relationships too remote to be detected by conventional methods, such as sequence comparison, and may potentially lead to prediction of…

Quantitative Methods · Quantitative Biology 2017-01-10 Barış Ekim

Load shapes derived from smart meter data are frequently employed to analyze daily energy consumption patterns, particularly in the context of applications like Demand Response (DR). Nevertheless, one of the most important challenges to…

We attempt to set a mathematical foundation of immunology and amino acid chains. To measure the similarities of these chains, a kernel on strings is defined using only the sequence of the chains and a good amino acid substitution matrix…

Machine Learning · Statistics 2012-06-26 Wen-Jun Shen , Hau-San Wong , Quan-Wu Xiao , Xin Guo , Stephen Smale

The aim of this study was to develop a method that would identify the cluster centroids and the optimal number of clusters for a given sensitivity level and could work equally well for the different sequence datasets. A novel method that…

Genomics · Quantitative Biology 2023-12-01 Manal Helal , Fanrong Kong , Sharon C-A Chen , Fei Zhou , Dominic E Dwyer , John Potter , Vitali Sintchenko

Similarity plays a fundamental role in many areas, including data mining, machine learning, statistics and various applied domains. Inspired by the success of ensemble methods and the flexibility of trees, we propose to learn a similarity…

Machine Learning · Computer Science 2019-08-29 Donghui Yan , Songxiang Gu , Ying Xu , Zhiwei Qin

Patchwork learning arises as a new and challenging data collection paradigm where both samples and features are observed in fragmented subsets. Due to technological limits, measurement expense, or multimodal data integration, such patchwork…

Methodology · Statistics 2024-06-21 Lili Zheng , Andersen Chang , Genevera I. Allen

Purpose: This study aimed to enhance protein sequence classification using natural language processing (NLP) techniques while addressing the impact of sequence similarity on model performance. We compared various machine learning and deep…

Quantitative Methods · Quantitative Biology 2025-05-26 Huma Perveen , Julie Weeds

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

State-of-the-art clustering algorithms use heuristics to partition the feature space and provide little insight into the rationale for cluster membership, limiting their interpretability. In healthcare applications, the latter poses a…

Machine Learning · Statistics 2018-12-04 Dimitris Bertsimas , Agni Orfanoudaki , Holly Wiberg

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang