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The study of genomic variation has provided key insights into the functional role of mutations. Predominantly, studies have focused on single nucleotide variants (SNV), which are relatively easy to detect and can be described with rich…

Genomics · Quantitative Biology 2015-09-04 Daniel R. Zerbino , Tracy Ballinger , Benedict Paten , Glenn Hickey , David Haussler

Genomic sequence analysis plays a crucial role in various scientific and medical domains. Traditional machine-learning approaches often struggle to capture the complex relationships and hierarchical structures of sequence data when working…

Machine Learning · Computer Science 2025-10-02 Sarwan Ali , Haris Mansoor , Murray Patterson

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

The application of language models (LMs) to molecular structure generation using line notations such as SMILES and SELFIES has been well-established in the field of cheminformatics. However, extending these models to generate 3D molecular…

Machine Learning · Computer Science 2024-12-03 Kaiyuan Gao , Yusong Wang , Haoxiang Guan , Zun Wang , Qizhi Pei , John E. Hopcroft , Kun He , Lijun Wu

A genome-scale reconstruction of human metabolism, Recon 2, is available but no interface exists to interactively visualise its content integrated with omics data and simulation results. We manually drew a comprehensive map, ReconMap 2.0,…

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Machine Learning · Computer Science 2019-09-04 Jordan Hoffmann , Louis Maestrati , Yoshihide Sawada , Jian Tang , Jean Michel Sellier , Yoshua Bengio

Mathematical Modelling has a long history in developmental biology. Advances in experimental techniques and computational algorithms now permit the development of increasingly more realistic models of organogenesis. In particular, 3D…

Computational Engineering, Finance, and Science · Computer Science 2014-08-08 Zahra Karimaddini , Erkan Unal , Denis Menshykau , Dagmar Iber

Significant advances in biotechnology have allowed for simultaneous measurement of molecular data points across multiple genomic and transcriptomic levels from a single tumor/cancer sample. This has motivated systematic approaches to…

Background Analyzing images to accurately estimate the number of different cell types in the brain using automatic methods is a major objective in neuroscience. The automatic and selective detection and segmentation of neurons would be an…

Image and Video Processing · Electrical Eng. & Systems 2024-10-07 Antonio LaTorre , Lidia Alonso-Nanclares , José María Peña , Javier De Felipe

Efficient generation of 3D digital humans is important in several industries, including virtual reality, social media, and cinematic production. 3D generative adversarial networks (GANs) have demonstrated state-of-the-art (SOTA) quality and…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Rameen Abdal , Wang Yifan , Zifan Shi , Yinghao Xu , Ryan Po , Zhengfei Kuang , Qifeng Chen , Dit-Yan Yeung , Gordon Wetzstein

Most earlier 3D structure-based molecular generation approaches follow an atom-wise paradigm, incrementally adding atoms to a partially built molecular fragment within protein pockets. These methods, while effective in designing tightly…

Self-Organizing Map (SOM) is a neural network model which is used to obtain a topology-preserving mapping from the (usually high dimensional) input/feature space to an output/map space of fewer dimensions (usually two or three in order to…

Artificial Intelligence · Computer Science 2016-05-20 Gerasimos Spanakis , Gerhard Weiss

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…

The availability of rich 3D datasets corresponding to the geometrical complexity of the built environments is considered an ongoing challenge for 3D deep learning methodologies. To address this challenge, we introduce GenScan, a generative…

Computer Vision and Pattern Recognition · Computer Science 2020-12-09 Mohammad Keshavarzi , Oladapo Afolabi , Luisa Caldas , Allen Y. Yang , Avideh Zakhor

A fundamental task in human chromosome analysis is chromosome segmentation. Segmentation plays an important role in chromosome karyotyping. The first step in segmentation is to remove intrusive objects such as stain debris and other noises.…

Computer Vision and Pattern Recognition · Computer Science 2014-09-02 Shervin Minaee , Mehran Fotouhi , Babak Hossein Khalaj

High-throughput sequencing (HTS) technologies have revolutionized the field of genomics, enabling rapid and cost-effective genome analysis for various applications. However, the increasing volume of genomic data generated by HTS…

Hardware Architecture · Computer Science 2023-06-01 Onur Mutlu , Can Firtina

This paper describes an ongoing multi-scale visual analytics approach for exploring and analyzing biomedical knowledge at scale.We utilize global and local views, hierarchical and flow-based graph layouts, multi-faceted search, neighborhood…

Human-Computer Interaction · Computer Science 2021-10-22 Fahd Husain , Rosa Romero-Gomez , Emily Kuang , Dario Segura , Adamo Carolli , Lai Chung Liu , Manfred Cheung , Yohann Paris

The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by alignment and reconstruction which runs from hours to days.…

Background: To understand protein function, it is important to study protein- protein interaction networks. These networks can be represented in network diagrams called protein interaction maps that can lead to better understanding by…

Computational Engineering, Finance, and Science · Computer Science 2014-07-23 Mine Edes , Can Özturan , Türkan Haliloğlu , Augustin Luna , Ruth Nussinov

Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular biology, where an important goal is to determine…

Biomolecules · Quantitative Biology 2021-06-17 Xiaojie Guo , Yuanqi Du , Sivani Tadepalli , Liang Zhao , Amarda Shehu