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BACKGROUND: One of the most evident achievements of bioinformatics is the development of methods that transfer biological knowledge from characterised proteins to uncharacterised sequences. This mode of protein function assignment is mostly…

Quantitative Methods · Quantitative Biology 2007-09-28 Emmanuel D. Levy , Christos A. Ouzounis , Walter R. Gilks , Benjamin Audit

Large Language Models (LLMs) have gained popularity in task planning for long-horizon manipulation tasks. To enhance the validity of LLM-generated plans, visual demonstrations and online videos have been widely employed to guide the…

Robotics · Computer Science 2025-03-12 Kejia Chen , Zheng Shen , Yue Zhang , Lingyun Chen , Fan Wu , Zhenshan Bing , Sami Haddadin , Alois Knoll

Large Language Models (LLMs) are increasingly adopted for applications in healthcare, reaching the performance of domain experts on tasks such as question answering and document summarisation. Despite their success on these tasks, it is…

Computation and Language · Computer Science 2025-05-20 Aishik Nagar , Viktor Schlegel , Thanh-Tung Nguyen , Hao Li , Yuping Wu , Kuluhan Binici , Stefan Winkler

Interactive and embodied tasks pose at least two fundamental challenges to existing Vision & Language (VL) models, including 1) grounding language in trajectories of actions and observations, and 2) referential disambiguation. To tackle…

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

Machine Learning · Computer Science 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Wenqi Fan , Yi Zhou , Shijie Wang , Yuyao Yan , Hui Liu , Qian Zhao , Le Song , Qing Li

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area.…

Computation and Language · Computer Science 2024-07-18 Yuan Sui , Mengyu Zhou , Mingjie Zhou , Shi Han , Dongmei Zhang

We propose a method to create document representations that reflect their internal structure. We modify Tree-LSTMs to hierarchically merge basic elements such as words and sentences into blocks of increasing complexity. Our Structure…

Computation and Language · Computer Science 2019-10-08 Khalil Mrini , Claudiu Musat , Michael Baeriswyl , Martin Jaggi

Biological function emerges from coupled constraints across sequence, structure, regulation, evolution, and cellular context, yet most foundation models in biology are trained within one modality or for a fixed forward task. We present…

Recent advancements in Text-to-SQL (Text2SQL) emphasize stimulating the large language models (LLM) on in-context learning, achieving significant results. Nevertheless, they face challenges when dealing with verbose database information and…

Computation and Language · Computer Science 2024-06-04 Zhishuai Li , Xiang Wang , Jingjing Zhao , Sun Yang , Guoqing Du , Xiaoru Hu , Bin Zhang , Yuxiao Ye , Ziyue Li , Rui Zhao , Hangyu Mao

Recent Multimodal Large Language Models (MLLMs) have demonstrated significant progress in perceiving and reasoning over multimodal inquiries, ushering in a new research era for foundation models. However, vision-language misalignment in…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Wei-Yao Wang , Zhao Wang , Helen Suzuki , Yoshiyuki Kobayashi

Although Large Language Models (LLMs) excel at addressing straightforward reasoning tasks, they frequently struggle with difficulties when confronted by more complex multi-step reasoning due to a range of factors. Firstly, natural language…

Computation and Language · Computer Science 2024-02-22 Kewei Cheng , Nesreen K. Ahmed , Theodore Willke , Yizhou Sun

Structure-informed protein representation learning is essential for effective protein function annotation and \textit{de novo} design. However, the presence of inherent noise in both crystal and AlphaFold-predicted structures poses…

Biomolecules · Quantitative Biology 2025-03-25 Zhongyue Zhang , Runze Ma , Yanjie Huang , Shuangjia Zheng

Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs) to reason about downstream chemical tasks. However, the…

Computation and Language · Computer Science 2026-05-11 Feiyang Cai , Guijuan He , Yi Hu , Jingjing Wang , Joshua Luo , Tianyu Zhu , Srikanth Pilla , Gang Li , Ling Liu , Feng Luo

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

Recent advancements in multimodal foundation models have yielded significant progress in vision-language understanding. Initial attempts have also explored the potential of multimodal large language models (MLLMs) for visual content…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Rongyao Fang , Chengqi Duan , Kun Wang , Hao Li , Hao Tian , Xingyu Zeng , Rui Zhao , Jifeng Dai , Hongsheng Li , Xihui Liu

The 2024 Nobel Prize in Chemistry was awarded in part for protein structure prediction using AlphaFold2, an artificial intelligence/machine learning (AI/ML) model trained on vast amounts of sequence and 3D structure data. AlphaFold2 and…

Biomolecules · Quantitative Biology 2025-04-22 Alexander M. Ille , Emily Anas , Michael B. Mathews , Stephen K. Burley

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…