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Unsupervised cell type identification is crucial for uncovering and characterizing heterogeneous populations in single cell omics studies. Although a range of clustering methods have been developed, most focus exclusively on intrinsic…

Artificial Intelligence · Computer Science 2025-12-12 Liang Peng , Haopeng Liu , Yixuan Ye , Cheng Liu , Wenjun Shen , Si Wu , Hau-San Wong

Higher-order connectivity patterns such as small induced sub-graphs called graphlets (network motifs) are vital to understand the important components (modules/functional units) governing the configuration and behavior of complex networks.…

Social and Information Networks · Computer Science 2020-09-15 Aldo G. Carranza , Ryan A. Rossi , Anup Rao , Eunyee Koh

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

Clusterix 2.0 is a web-based, Virtual Observatory-compliant, interactive tool for the determination of membership probabilities in stellar clusters based on proper motion data using a fully non-parametric method. In the area occupied by the…

Instrumentation and Methods for Astrophysics · Physics 2020-02-19 L. Balaguer-Núñez , M. Lopez , E. Solano , D. Galadí-Enríquez , C. Jordi , F. Jimenez-Esteban , E. Masana , J. Carbajo-Hijarrubia , E. Paunzen

Questions in computational molecular biology generate various discrete optimization problems, such as DNA sequence alignment and RNA secondary structure prediction. However, the optimal solutions are fundamentally dependent on the…

We characterize structures such as monotonicity, convexity, and modality in smooth regression curves using persistent homology. Persistent homology is a key tool in topological data analysis that detects higher-dimensional topological…

Algebraic Topology · Mathematics 2025-10-28 Satish Kumar , Subhra Sankar Dhar

Active learning selects the most informative samples from the unlabelled dataset to annotate in the context of a limited annotation budget. While numerous methods have been proposed for subsequent sample selection based on an initialized…

Machine Learning · Computer Science 2024-03-28 Han Yuan , Chuan Hong

Most of the research on clustering ensemble focuses on designing practical consistency learning algorithms.To solve the problems that the quality of base clusters varies and the low-quality base clusters have an impact on the performance of…

Machine Learning · Computer Science 2024-11-04 Jianwen Gan , Yan Chen , Peng Zhou , Liang Du

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

Single-cell RNA sequencing (scRNA-seq) reveals cell heterogeneity, with cell clustering playing a key role in identifying cell types and marker genes. Recent advances, especially graph neural networks (GNNs)-based methods, have…

Genomics · Quantitative Biology 2025-10-03 Ping Xu , Zhiyuan Ning , Pengjiang Li , Wenhao Liu , Pengyang Wang , Jiaxu Cui , Yuanchun Zhou , Pengfei Wang

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form…

Machine Learning · Computer Science 2025-07-28 Satvik Golechha , Maheep Chaudhary , Joan Velja , Alessandro Abate , Nandi Schoots

We propose a generalized stochastic block model to explore the mesoscopic structures in signed networks by grouping vertices that exhibit similar positive and negative connection profiles into the same cluster. In this model, the group…

Social and Information Networks · Computer Science 2015-06-17 Jonathan Q. Jiang

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

Biomolecules · Quantitative Biology 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi

While deep learning has seen many recent applications to drug discovery, most have focused on predicting activity or toxicity directly from chemical structure. Phenotypic changes exhibited in cellular images are also indications of the…

Computer Vision and Pattern Recognition · Computer Science 2019-03-18 Philip T. Jackson , Yinhai Wang , Sinead Knight , Hongming Chen , Thierry Dorval , Martin Brown , Claus Bendtsen , Boguslaw Obara

Recent advances in molecular biology allow the quantification of the transcriptome and scoring transcripts as differentially or equally expressed between two biological conditions. Although these two tasks are closely linked, the available…

Methodology · Statistics 2017-02-08 Panagiotis Papastamoulis , Magnus Rattray

In many applications of shape analysis, lengths between some landmarks are constrained. For instance, biomolecules often have some bond lengths and some bond angles constrained, and variation occurs only along unconstrained bonds and…

Methodology · Statistics 2025-02-25 Kanti V. Mardia , Benjamin Eltzner , Stephan F. Huckemann

The linking genotype to phenotype is the fundamental aim of modern genetics. We focus on study of links between gene expression data and phenotype data through integrative analysis. We propose three approaches. 1) The inherent complexity of…

Quantitative Methods · Quantitative Biology 2015-06-30 Min Xu

Clustering nodes in heterophilous graphs is challenging as traditional methods assume that effective clustering is characterized by high intra-cluster and low inter-cluster connectivity. To address this, we introduce HeNCler-a novel…

Machine Learning · Computer Science 2025-06-25 Sonny Achten , Zander Op de Beeck , Francesco Tonin , Volkan Cevher , Johan A. K. Suykens

Feature selection is an important task in many problems occurring in pattern recognition, bioinformatics, machine learning and data mining applications. The feature selection approach enables us to reduce the computation burden and the…

Machine Learning · Computer Science 2016-08-30 Hadi Zare , Mojtaba Niazi

Homologous gene shuffling between DNA promotes genetic diversity and is an important pathway for DNA repair. For this to occur, homologous genes need to find and recognize each other. However, despite its central role in homologous…

Biological Physics · Physics 2014-12-04 Dominic J. Lee , Aaron Wynveen , Tim Albrecht , Alexei A. Kornyshev