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Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroughs in artificial intelligence have revolutionized…

Computation and Language · Computer Science 2025-07-28 Xiang Zhuang , Keyan Ding , Tianwen Lyu , Yinuo Jiang , Xiaotong Li , Zhuoyi Xiang , Zeyuan Wang , Ming Qin , Kehua Feng , Jike Wang , Qiang Zhang , Huajun Chen

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

We propose a novel framework that leverages large language models (LLMs) to guide the rank selection in tensor network models for higher-order data analysis. By utilising the intrinsic reasoning capabilities and domain knowledge of LLMs,…

Machine Learning · Computer Science 2024-10-15 Giorgos Iacovides , Wuyang Zhou , Danilo Mandic

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

The rapid advancement of large language models (LLMs) has sparked interest in data synthesis techniques, aiming to generate diverse and high-quality synthetic datasets. However, these synthetic datasets often suffer from a lack of diversity…

Computation and Language · Computer Science 2024-08-09 Himanshu Gupta , Kevin Scaria , Ujjwala Anantheswaran , Shreyas Verma , Mihir Parmar , Saurabh Arjun Sawant , Chitta Baral , Swaroop Mishra

Recent advancements in specialized large-scale architectures for training image and language have profoundly impacted the field of computer vision and natural language processing (NLP). Language models, such as the recent ChatGPT and GPT4…

Biomolecules · Quantitative Biology 2023-05-04 Sergio Romero-Romero , Sebastian Lindner , Noelia Ferruz

The rapid development of large language models (LLMs) has spurred extensive research into their domain-specific capabilities, particularly mathematical reasoning. However, most open-source LLMs focus solely on mathematical reasoning,…

Computation and Language · Computer Science 2024-09-04 Shuai Peng , Di Fu , Liangcai Gao , Xiuqin Zhong , Hongguang Fu , Zhi Tang

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

We introduce Tarsier2, a state-of-the-art large vision-language model (LVLM) designed for generating detailed and accurate video descriptions, while also exhibiting superior general video understanding capabilities. Tarsier2 achieves…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Liping Yuan , Jiawei Wang , Haomiao Sun , Yuchen Zhang , Yuan Lin

Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li

Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural…

Machine Learning · Computer Science 2024-10-31 Yizhen Luo , Zikun Nie , Massimo Hong , Suyuan Zhao , Hao Zhou , Zaiqing Nie

Large language models (LLMs) have emerged as powerful tools in natural language processing (NLP), showing a promising future of artificial generated intelligence (AGI). Despite their notable performance in the general domain, LLMs have…

Computation and Language · Computer Science 2025-01-23 Jingyuan Chen , Tao Wu , Wei Ji , Fei Wu

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Large Language Models (LLMs) have been widely used in code completion, and researchers are focusing on scaling up LLMs to improve their accuracy. However, larger LLMs have lower inference efficiency, affecting developers' experience and…

Computation and Language · Computer Science 2025-01-17 Siyuan Jiang , Jia Li , He Zong , Huanyu Liu , Hao Zhu , Shukai Hu , Erlu Li , Jiazheng Ding , Yu Han , Wei Ning , Gen Wang , Yihong Dong , Kechi Zhang , Ge Li

We introduce Dream 7B, the most powerful open diffusion large language model to date. Unlike autoregressive (AR) models that generate tokens sequentially, Dream 7B employs discrete diffusion modeling to refine sequences in parallel through…

Computation and Language · Computer Science 2025-08-22 Jiacheng Ye , Zhihui Xie , Lin Zheng , Jiahui Gao , Zirui Wu , Xin Jiang , Zhenguo Li , Lingpeng Kong

Recent developments in Large Language Model (LLM)-based agents have shown impressive capabilities spanning multiple domains, exemplified by deep research systems that demonstrate superior performance on complex information-seeking and…

Computation and Language · Computer Science 2025-09-03 Ailing Yu , Lan Yao , Jingnan Liu , Zhe Chen , Jiajun Yin , Yuan Wang , Xinhao Liao , Zhiling Ye , Ji Li , Yun Yue , Hansong Xiao , Hualei Zhou , Chunxiao Guo , Peng Wei , Junwei Liu , Jinjie Gu

Large language models (LLMs) with advanced cognitive capabilities are emerging as agents for various reasoning and planning tasks. Traditional evaluations often focus on specific reasoning or planning questions within controlled…

Artificial Intelligence · Computer Science 2026-03-23 Tianlong Wang , Pinqiao Wang , Weili Shi , Sheng li

Recently, Large Language Models (LLMs) have undergone a significant transformation, marked by a rapid rise in both their popularity and capabilities. Leading this evolution are proprietary LLMs like GPT-4 and GPT-o1, which have captured…

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott
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