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RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like…

Machine Learning · Computer Science 2026-01-28 Qi Si , Xuyang Liu , Penglei Wang , Xin Guo , Yuan Qi , Yuan Cheng

The growing significance of RNA engineering in diverse biological applications has spurred interest in developing AI methods for structure-based RNA design. While diffusion models have excelled in protein design, adapting them for RNA…

Biomolecules · Quantitative Biology 2024-06-11 Divya Nori , Wengong Jin

Objective: The majority of detailed patient information in real-world data (RWD) is only consistently available in free-text clinical documents. Manual curation is expensive and time-consuming. Developing natural language processing (NLP)…

Machine learning inference is increasingly being executed locally on mobile and embedded platforms, due to the clear advantages in latency, privacy and connectivity. In this paper, we present approaches for online resource management in…

Computer Vision and Pattern Recognition · Computer Science 2021-05-11 Lei Xun , Long Tran-Thanh , Bashir M Al-Hashimi , Geoff V. Merrett

Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL) methods have shown great potential in this area, models that…

Large Genomic Foundation Models have recently achieved remarkable results and in-vivo translation capabilities. However these models quickly grow to over a few Billion of parameters and are expensive to run when compute is limited. To…

Machine Learning · Computer Science 2026-04-13 Rasched Haidari , Sam Martin , Maxime Allard

Double-stranded DNA (dsDNA) has been established as an efficient medium for charge migration, bringing it to the forefront of the field of molecular electronics as well as biological research. The charge migration rate is controlled by the…

Soft Condensed Matter · Physics 2020-11-25 Abhishek Aggarwal , Vinayak , Saientan Bag , Chiranjib Bhattacharyya , Umesh V. Waghmare , Prabal K Maiti

Biomedical research has revealed the crucial role of miRNAs in the progression of many diseases, and computational prediction methods are increasingly proposed for assisting biological experiments to verify miRNA-disease associations…

Computational Engineering, Finance, and Science · Computer Science 2023-08-29 Yi Zhou , Meixuan Wu , Chengzhou Ouyang , Min Zhu

Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

In the upcoming years, artificial intelligence (AI) is going to transform the practice of medicine in most of its specialties. Deep learning can help achieve better and earlier problem detection, while reducing errors on diagnosis. By…

Machine Learning · Computer Science 2023-09-07 Julie Payette , Sylvain G. Cloutier , Fabrice Vaussenat

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…

Biological Physics · Physics 2020-09-04 Bin Huang , Yuanyang Du , Shuai Zhang , Wenfei Li , Jun Wang , Jian Zhang

Over one in three people are affected by neurodegenerative disorders. Neural stem cells, which are multipotent regenerative cells with the potential to differentiate into any of the neural cell types, have immense therapeutic potential for…

Image and Video Processing · Electrical Eng. & Systems 2024-09-27 Nidhi Parthasarathy , Chandra Suda , Anika Mittal , Ian Young Chen , Ananya Jalihal

Deoxyribonucleic acid (DNA) has shown great promise in enabling computational applications, most notably in the fields of DNA digital data storage and DNA computing. Information is encoded as DNA strands, which will naturally bind in…

Machine Learning · Computer Science 2021-10-22 David Buterez

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field,…

Biomolecules · Quantitative Biology 2024-06-21 Cheng Tan , Zhangyang Gao , Hanqun Cao , Xingran Chen , Ge Wang , Lirong Wu , Jun Xia , Jiangbin Zheng , Stan Z. Li

The field of RNA secondary structure prediction has made significant progress with the adoption of deep learning techniques. In this work, we present the RNAformer, a lean deep learning model using axial attention and recycling in the…

Machine Learning · Computer Science 2023-07-20 Jörg K. H. Franke , Frederic Runge , Frank Hutter

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

Structural prediction has long been considered critical in RNA research, especially following the success of AlphaFold2 in protein studies, which has drawn significant attention to the field. While recent advances in machine learning and…

Biomolecules · Quantitative Biology 2024-09-26 Jiaxing Yang

By combining various cancer cell line (CCL) drug screening panels, the size of the data has grown significantly to begin understanding how advances in deep learning can advance drug response predictions. In this paper we train >35,000…

Machine learning is rapidly accelerating materials and chemical discovery, but most current models target energies, forces, or selected molecular properties rather than the underlying many-body electronic structure. Learning…

RNA's diverse biological functions stem from its structural versatility, yet accurately predicting and designing RNA sequences given a 3D conformation (inverse folding) remains a challenge. Here, I introduce a deep learning framework that…

Quantitative Methods · Quantitative Biology 2026-01-06 Annabelle Yao