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Large Artificial Neural Network (ANN) models have demonstrated success in various domains, including general text and image generation, drug discovery, and protein-RNA (ribonucleic acid) binding tasks. However, these models typically demand…

Biomolecules · Quantitative Biology 2025-11-13 Stanislav Selitskiy

Accurate RNA structure modeling remains difficult because RNA backbones are highly flexible, non-canonical interactions are prevalent, and experimentally determined 3D structures are comparatively scarce. We introduce \emph{RiboSphere}, a…

Machine Learning · Computer Science 2026-03-23 Zhou Zhang , Hanqun Cao , Cheng Tan , Fang Wu , Pheng Ann Heng , Tianfan Fu

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

There are already many DNA large language models, but most of them still follow traditional uses, such as extracting sequence features for classification tasks. More innovative applications of large language models, such as prompt…

Genomics · Quantitative Biology 2024-10-29 Wang Liang

The abilities of modern large language models (LLMs) in solving natural language processing, complex reasoning, sentiment analysis and other tasks have been extraordinary which has prompted their extensive adoption. Unfortunately, these…

Artificial Intelligence · Computer Science 2024-05-29 Anthony Sarah , Sharath Nittur Sridhar , Maciej Szankin , Sairam Sundaresan

Programming languages possess rich semantic information - such as data flow - that is represented by graphs and not available from the surface form of source code. Recent code language models have scaled to billions of parameters, but model…

Computation and Language · Computer Science 2025-09-24 Ziyin Zhang , Hang Yu , Shijie Li , Peng Di , Jianguo Li , Rui Wang

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein…

Machine Learning · Computer Science 2025-09-10 Peter St. John , Dejun Lin , Polina Binder , Malcolm Greaves , Vega Shah , John St. John , Adrian Lange , Patrick Hsu , Rajesh Illango , Arvind Ramanathan , Anima Anandkumar , David H Brookes , Akosua Busia , Abhishaike Mahajan , Stephen Malina , Neha Prasad , Sam Sinai , Lindsay Edwards , Thomas Gaudelet , Cristian Regep , Martin Steinegger , Burkhard Rost , Alexander Brace , Kyle Hippe , Luca Naef , Keisuke Kamata , George Armstrong , Kevin Boyd , Zhonglin Cao , Han-Yi Chou , Simon Chu , Allan dos Santos Costa , Sajad Darabi , Eric Dawson , Kieran Didi , Cong Fu , Mario Geiger , Michelle Gill , Darren J Hsu , Gagan Kaushik , Maria Korshunova , Steven Kothen-Hill , Youhan Lee , Meng Liu , Micha Livne , Zachary McClure , Jonathan Mitchell , Alireza Moradzadeh , Ohad Mosafi , Youssef Nashed , Saee Paliwal , Yuxing Peng , Sara Rabhi , Farhad Ramezanghorbani , Danny Reidenbach , Camir Ricketts , Brian C Roland , Kushal Shah , Tyler Shimko , Hassan Sirelkhatim , Savitha Srinivasan , Abraham C Stern , Dorota Toczydlowska , Srimukh Prasad Veccham , Niccolò Alberto Elia Venanzi , Anton Vorontsov , Jared Wilber , Isabel Wilkinson , Wei Jing Wong , Eva Xue , Cory Ye , Xin Yu , Yang Zhang , Guoqing Zhou , Becca Zandstein , Alejandro Chacon , Prashant Sohani , Maximilian Stadler , Christian Hundt , Feiwen Zhu , Christian Dallago , Bruno Trentini , Emine Kucukbenli , Saee Paliwal , Timur Rvachov , Eddie Calleja , Johnny Israeli , Harry Clifford , Risto Haukioja , Nicholas Haemel , Kyle Tretina , Neha Tadimeti , Anthony B Costa

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

In recent studies, linear recurrent neural networks (LRNNs) have achieved Transformer-level performance in natural language and long-range modeling, while offering rapid parallel training and constant inference cost. With the resurgence of…

Computation and Language · Computer Science 2024-04-10 Ting-Han Fan , Ta-Chung Chi , Alexander I. Rudnicky

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Large language models (LLMs) have led to breakthroughs in language tasks, yet the internal mechanisms that enable their remarkable generalization and reasoning abilities remain opaque. This lack of transparency presents challenges such as…

Computation and Language · Computer Science 2024-04-17 Haiyan Zhao , Fan Yang , Bo Shen , Himabindu Lakkaraju , Mengnan Du

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 machine learning models for exploring chemical space have shown immense promise, but many molecules they generate are too difficult to synthesize, making them impractical for further investigation or development. In this work, we…

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Secondary structure plays an important role in determining the function of non-coding RNAs. Hence, identifying RNA secondary structures is of great value to research. Computational prediction is a mainstream approach for predicting RNA…

Biomolecules · Quantitative Biology 2021-09-15 Qi Zhao , Zheng Zhao , Xiaoya Fan , Zhengwei Yuan , Qian Mao , Yudong Yao

Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to lead optimization. Yet a fundamental limitation emerges:…

Biomolecules · Quantitative Biology 2025-12-18 Wissam Karroucha , Carlos Oliver , Veronique Stoven , Vincent Mallet

The problem of RNA secondary structure design (also called inverse folding) is the following: given a target secondary structure, one aims to create a sequence that folds into, or is compatible with, a given structure. In several practical…

Quantitative Methods · Quantitative Biology 2013-08-02 Yu Zhou , Yann Ponty , Stéphane Vialette , Jérôme Waldispühl , Yi Zhang , Alain Denise

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

Biomolecules · Quantitative Biology 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi