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Understanding disease-gene associations is essential for unravelling disease mechanisms and advancing diagnostics and therapeutics. Traditional approaches based on manual curation and literature review are labour-intensive and not scalable,…

Machine Learning · Computer Science 2026-02-24 Osman Onur Kuzucu , Tunca Doğan

Single-cell-resolution spatial transcriptomics profiles gene expression at cellular locations in native tissues, yet accurate cell-type annotation remains challenging: imaging-based platforms are constrained by targeted gene panels, whereas…

Cell Behavior · Quantitative Biology 2026-05-27 Yiyang Zhang , Bokai Zhao , Xiaoru Zhang , Zongchang Du , Xiaojuan Sun , Tianzi Jiang

Sequential pattern mining algorithms are widely used to explore care pathways database, but they generate a deluge of patterns, mostly redundant or useless. Clinicians need tools to express complex mining queries in order to generate less…

Artificial Intelligence · Computer Science 2017-07-27 Thomas Guyet , André Happe , Yann Dauxais

Quantifying how hard it is to build a molecular graph matters for biosignature detection, chemical complexity, and cheminformatics. We present an exact, scalable algorithm to compute the molecular assembly index (MA) which prioritizes the…

Data Structures and Algorithms · Computer Science 2025-08-19 Ian Seet , Keith Y. Patarroyo , Gage Siebert , Sara I. Walker , Leroy Cronin

We present the Small-Coupling Dynamic Cavity (SCDC) method, a novel generalized mean-field approximation for epidemic inference and risk assessment within a fully Bayesian framework. SCDC accounts for non-causal effects of observations and…

Disordered Systems and Neural Networks · Physics 2025-05-01 Alfredo Braunstein , Giovanni Catania , Luca Dall'Asta , Matteo Mariani , Fabio Mazza , Mattia Tarabolo

Dietary supplements are used by a large portion of the population, but information on their pharmacologic interactions is incomplete. To address this challenge, we present SUPP.AI, an application for browsing evidence of supplement-drug…

Computation and Language · Computer Science 2020-07-08 Lucy Lu Wang , Oyvind Tafjord , Arman Cohan , Sarthak Jain , Sam Skjonsberg , Carissa Schoenick , Nick Botner , Waleed Ammar

Empirical evaluation of verification tools by benchmarking is a common method in software verification research. The Competition on Software Verification (SV-COMP) aims at standardization and reproducibility of benchmarking within the…

Logic in Computer Science · Computer Science 2019-03-05 Lucas Cordeiro , Daniel Kroening , Peter Schrammel

Processing of symbolic sequences represented by mapping of symbolic data into numerical signals is commonly used in various applications. It is a particularly popular approach in genomic and proteomic sequence analysis. Numerous mappings of…

Information Theory · Computer Science 2015-05-13 Liming Wang , Dan Schonfeld

Cost Surfaces are a quantitative means of assigning social, environmental, and engineering costs that impact movement across landscapes. Cost surfaces are a crucial aspect of route optimization and least cost path (LCP) calculations and are…

Physics and Society · Physics 2019-06-24 Brendan Hoover , Richard S. Middleton , Sean Yaw

Extracting genetic information from a full range of sequencing data is important for understanding diseases. We propose a novel method to effectively explore the landscape of genetic mutations and aggregate them to predict cancer type. We…

Genomics · Quantitative Biology 2018-10-10 Zexian Zeng , Andy Vo , Chengsheng Mao , Susan E Clare , Seema A Khan , Yuan Luo

While linear mixed model (LMM) has shown a competitive performance in correcting spurious associations raised by population stratification, family structures, and cryptic relatedness, more challenges are still to be addressed regarding the…

Machine Learning · Computer Science 2023-02-15 Wenting Ye , Xiang Liu , Tianwei Yue , Wenping Wang

In software engineering, impact analysis involves predicting the software elements (e.g., modules, classes, methods) potentially impacted by a change in the source code. Impact analysis is required to optimize the testing effort. In this…

Software Engineering · Computer Science 2024-11-14 Vincenzo Musco , Martin Monperrus , Philippe Preux

Single-cell RNA sequencing (scRNA-seq) has transformed our ability to explore biological systems. Nevertheless, proficient expertise is essential for handling and interpreting the data. In this paper, we present scX, an R package built on…

Similarity search over chemical compound databases is a fundamental task in the discovery and design of novel drug-like molecules. Such databases often encode molecules as non-negative integer vectors, called molecular descriptors, which…

Data Structures and Algorithms · Computer Science 2017-08-11 Yasuo Tabei , Simon J. Puglisi

The strict selectivity of the blood-brain barrier (BBB) represents one of the most formidable challenges to successful central nervous system (CNS) drug delivery. Computational methods to generate BBB permeable drugs in silico may be…

Biomolecules · Quantitative Biology 2024-07-02 Ayush Noori , Iñaki Arango , William E. Byrd , Nada Amin

Single-cell multi-omics (scMulti-omics) refers to the paired multimodal data, such as Cellular Indexing of Transcriptomes and Epitopes by Sequencing (CITE-seq), where the regulation of each cell was measured from different modalities, i.e.…

Machine Learning · Computer Science 2024-10-18 Dian Meng , Bohao Xing , Xinlei Huang , Yanran Liu , Yijun Zhou , Yongjun xiao , Zitong Yu , Xubin Zheng

Precision medicine is a paradigm shift in healthcare relying heavily on genomics data. However, the complexity of biological interactions, the large number of genes as well as the lack of comparisons on the analysis of data, remain a…

Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…

Machine Learning · Computer Science 2018-01-30 Trang Pham , Truyen Tran , Svetha Venkatesh

In drug discovery, mapping interactions between genes within cellular systems is a crucial early step. Such maps are not only foundational for understanding the molecular mechanisms underlying disease biology but also pivotal for…

Motivation: How do we integratively analyze large-scale multi-platform genomic data that are high dimensional and sparse? Furthermore, how can we incorporate prior knowledge, such as the association between genes, in the analysis…

Machine Learning · Computer Science 2017-11-28 Dongjin Choi , Lee Sael
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