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Designing messenger RNA (mRNA) sequences for a fixed target protein requires searching an exponentially large synonymous space while optimizing properties that affect stability and downstream performance. This is challenging because…

Biomolecules · Quantitative Biology 2026-03-09 Feipeng Yue , Ning Dai , Wei Yu Tang , Tianshuo Zhou , David H. Mathews , Liang Huang

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

The design of RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Despite recent progress in natural language modeling and deep learning-based protein design, there remains…

Biomolecules · Quantitative Biology 2026-05-26 Roman Klypa , Alberto Bietti , Sergei Grudinin

Messenger RNA (mRNA) sequences as therapeutics require optimized design to ensure efficient translation, structural stability, and minimal immunogenicity. This study presents a two-stage in-silico framework that integrates deep learning and…

Computation and Language · Computer Science 2026-05-28 Dhawa Sang Dong , Mausam Gurung , Suraj Kandel

MicroRNAs (miRNAs) are short sequences of ribonucleic acids that control the expression of target messenger RNAs (mRNAs) by binding them. Robust prediction of miRNA-mRNA pairs is of utmost importance in deciphering gene regulations but has…

Machine Learning · Computer Science 2016-09-27 Byunghan Lee , Junghwan Baek , Seunghyun Park , Sungroh Yoon

Accurately measuring protein-RNA binding affinity is crucial in many biological processes and drug design. Previous computational methods for protein-RNA binding affinity prediction rely on either sequence or structure features, unable to…

Biomolecules · Quantitative Biology 2025-01-06 Rong Han , Xiaohong Liu , Tong Pan , Jing Xu , Xiaoyu Wang , Wuyang Lan , Zhenyu Li , Zixuan Wang , Jiangning Song , Guangyu Wang , Ting Chen

The mRNA optimization is critical for therapeutic and biotechnological applications, since sequence features directly govern protein expression levels and efficacy. However, current methods face significant challenges in simultaneously…

Quantitative Methods · Quantitative Biology 2025-06-02 Zheng Gong , Ziyi Jiang , Weihao Gao , Deng Zhuo , Lan Ma

Protein analysis tasks arising in healthcare settings often require accurate reasoning under protein sequence constraints, involving tasks such as functional interpretation of disease-related variants, protein-level analysis for clinical…

Artificial Intelligence · Computer Science 2026-03-03 Congying Liu , Taihao Li , Ming Huang , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

RNA inverse sequence design has broad biological and engineering applications, but computational methods for practical design queries remain limited. Such queries may impose several constraints at once, including target folds or motifs,…

Quantitative Methods · Quantitative Biology 2026-05-11 Michael Lindsey

Offline reinforcement learning (RL) aims to find a near-optimal policy using pre-collected datasets. In real-world scenarios, data collection could be costly and risky; therefore, offline RL becomes particularly challenging when the…

Machine Learning · Computer Science 2024-12-18 Ruizhe Shi , Yuyao Liu , Yanjie Ze , Simon S. Du , Huazhe Xu

Fabricating neural models for a wide range of mobile devices demands for a specific design of networks due to highly constrained resources. Both evolution algorithms (EA) and reinforced learning methods (RL) have been dedicated to solve…

Neural and Evolutionary Computing · Computer Science 2019-01-17 Xiangxiang Chu , Bo Zhang , Ruijun Xu , Hailong Ma

Rising costs in recent years of developing new drugs and treatments have led to extensive research in optimization techniques in biomolecular design. Currently, the most widely used approach in biomolecular design is directed evolution,…

Machine Learning · Computer Science 2021-11-09 Alexander Whatley , Zhekun Luo , Xiangru Tang

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

Despite significant progress, Vision-Language Models (VLMs) still struggle with complex visual reasoning, where multi-step dependencies cause early errors to cascade through the reasoning chain. Existing post-training paradigms are limited:…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Yanbei Jiang , Chao Lei , Yihao Ding , Krista Ehinger , Jey Han Lau

Pre-training & fine-tuning can enhance the transferring efficiency and performance in visual tasks. Recent delta-tuning methods provide more options for visual classification tasks. Despite their success, existing visual delta-tuning art…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Dongshuo Yin , Leiyi Hu , Bin Li , Youqun Zhang , Xue Yang

RNA design, the task of finding a sequence that folds into a target secondary structure, has broad biological and biomedical impact but remains computationally challenging due to the exponentially large sequence space and exponentially many…

Machine Learning · Computer Science 2026-02-16 Milan Gautam , Ning Dai , Tianshuo Zhou , Bowen Xie , David Mathews , Liang Huang

Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery. Current approaches to develop molecules for a target protein are intuition-driven, hampered by slow iterative…

Machine Learning · Computer Science 2022-05-24 Andrew D. McNaughton , Mridula S. Bontha , Carter R. Knutson , Jenna A. Pope , Neeraj Kumar

While RNA technologies hold immense therapeutic potential in a range of applications from vaccination to gene editing, the broad implementation of these technologies is hindered by the challenge of delivering these agents effectively. Lipid…

Biomolecules · Quantitative Biology 2023-08-30 Daisy Yi Ding , Yuhui Zhang , Yuan Jia , Jiuzhi Sun

Multi-objective reinforcement learning (MORL) aims at optimising several, often conflicting goals to improve the flexibility and reliability of RL in practical tasks. This is typically achieved by finding a set of diverse, non-dominated…

Artificial Intelligence · Computer Science 2026-02-06 Qiyue Xia , Tianwei Wang , J. Michael Herrmann

Motivation: Codon optimization of Open Reading Frame (ORF) sequences is essential for enhancing mRNA stability and expression in applications like mRNA vaccines, where codon choice can significantly impact protein yield which directly…

Quantitative Methods · Quantitative Biology 2024-12-17 Shashank Pathak , Guohui Lin
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