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Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

Biological Physics · Physics 2025-04-10 Ryan K. Krueger , Megan C. Engel , Ryan Hausen , Michael P. Brenner

This paper presents a probabilistic approach for DNA sequence analysis. A DNA sequence consists of an arrangement of the four nucleotides A, C, T and G and different representation schemes are presented according to a probability measure…

Quantitative Methods · Quantitative Biology 2010-02-12 Amrita Priyam , B. M. Karan , G. Sahoo

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

Deep learning techniques have driven significant progress in various analytical tasks within 3D genomics in computational biology. However, a holistic understanding of 3D genomics knowledge remains underexplored. Here, we propose MIX-HIC,…

Machine Learning · Computer Science 2025-10-29 Minghao Yang , Pengteng Li , Yan Liang , Qianyi Cai , Zhihang Zheng , Shichen Zhang , Pengfei Zhang , Zhi-An Huang , Hui Xiong

We introduce an extended version of oxDNA, a coarse-grained model of DNA designed to capture the thermodynamic, structural and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves, and by…

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

The de novo assembly of large, complex genomes is a significant challenge with currently available DNA sequencing technology. While many de novo assembly software packages are available, comparatively little attention has been paid to…

Genomics · Quantitative Biology 2013-07-31 Jared T. Simpson

De novo genome assembly is challenging in highly repetitive regions; however, reference-guided assemblers often suffer from bias. We propose a framework for pangenome-guided sequence assembly, which can resolve short-read data in complex…

Quantum Physics · Physics 2026-02-11 Josh Cudby , James Bonfield , Chenxi Zhou , Richard Durbin , Sergii Strelchuk

The analysis of DNA sequences has become critical in numerous fields, from evolutionary biology to understanding gene regulation and disease mechanisms. While deep neural networks can achieve remarkable predictive performance, they…

Machine Learning · Computer Science 2026-04-15 Nicolas Huynh , Krzysztof Kacprzyk , Ryan Sheridan , David Bentley , Mihaela van der Schaar

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

Biomolecules · Quantitative Biology 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette

Generative probabilistic models emerge as a new paradigm in data-driven, evolution-informed design of biomolecular sequences. This paper introduces a novel approach, called Edge Activation Direct Coupling Analysis (eaDCA), tailored to the…

Biomolecules · Quantitative Biology 2024-04-29 Francesco Calvanese , Camille N. Lambert , Philippe Nghe , Francesco Zamponi , Martin Weigt

Accurate computational identification of DNA methylation is essential for understanding epigenetic regulation. Although deep learning excels in this binary classification task, its "black-box" nature impedes biological insight. We address…

Machine Learning · Computer Science 2026-02-27 Yi He , Yina Cao , Jixiu Zhai , Di Wang , Junxiao Kong , Tianchi Lu

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

Transformer architectures have facilitated the development of large-scale and general-purpose sequence models for prediction tasks in natural language processing and computer vision, e.g., GPT-3 and Swin Transformer. Although originally…

Machine Learning · Computer Science 2023-06-27 Muning Wen , Runji Lin , Hanjing Wang , Yaodong Yang , Ying Wen , Luo Mai , Jun Wang , Haifeng Zhang , Weinan Zhang

Deep generative models have shown great promise when it comes to synthesising novel images. While they can generate images that look convincing on a higher-level, generating fine-grained details is still a challenge. In order to foster…

Computer Vision and Pattern Recognition · Computer Science 2019-01-15 Andrin Jenal , Nikolay Savinov , Torsten Sattler , Gaurav Chaurasia

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Subeen Lee , Jiyeon Han , Soyeon Kim , Jaesik Choi

Zero mode waveguide technology of next generation sequencing demonstrated sequence-dependence of the enzymatic reaction, incorporating a base into the genomic DNA. We show that these experimental results indicate existence of a previously…

Other Quantitative Biology · Quantitative Biology 2012-06-12 Petr Pancoska , Zdenek Moravek , Uday Kiran Para , Jaroslav Nesetril

Summary: Long non-coding RNAs (lncRNAs) exert their functions by cooperating with other molecules including proteins and DNA. Triplexes, formed through the interaction between a single-stranded RNA (ssRNA) and a double-stranded DNA (dsDNA),…

Quantitative Methods · Quantitative Biology 2025-04-28 Marco Masera , Chiara Cicconetti , Francesca Ferrero , Salvatore Oliviero , Ivan Molineris

Modeling disease progression through multiple stages is critical for clinical decision-making for chronic diseases, e.g., cancer, diabetes, chronic kidney diseases, and so on. Existing approaches often model the disease progression as a…

Machine Learning · Computer Science 2025-03-04 Haoyu Yang , Sanjoy Dey , Pablo Meyer

Foundation models in genomics have shown mixed success compared to their counterparts in natural language processing. Yet, the reasons for their limited effectiveness remain poorly understood. In this work, we investigate the role of…

Machine Learning · Computer Science 2026-04-07 Maxime Rochkoulets , Lovro Vrček , Mile Šikić