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Recent advancements in protein structure prediction, particularly AlphaFold2, have revolutionized structural biology by achieving near-experimental accuracy ($\text{average RMSD} < 1.5\text{\AA}$). However, the computational demands of…

Biomolecules · Quantitative Biology 2025-06-09 Joongwon Chae , Zhenyu Wang , Ijaz Gul , Jiansong Ji , Zhenglin Chen , Peiwu Qin

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

The ability to generate natural language sequences from source code snippets has a variety of applications such as code summarization, documentation, and retrieval. Sequence-to-sequence (seq2seq) models, adopted from neural machine…

Machine Learning · Computer Science 2019-02-22 Uri Alon , Shaked Brody , Omer Levy , Eran Yahav

The mainstream neural text-to-speech(TTS) pipeline is a cascade system, including an acoustic model(AM) that predicts acoustic feature from the input transcript and a vocoder that generates waveform according to the given acoustic feature.…

Audio and Speech Processing · Electrical Eng. & Systems 2024-10-25 Chenpeng Du , Yiwei Guo , Xie Chen , Kai Yu

Recent advancements in unsupervised protein language models (ProteinLMs), like ESM-1b and ESM-2, have shown promise in different protein prediction tasks. However, these models face challenges due to their high computational demands,…

Machine Learning · Computer Science 2023-10-31 Shuang Peng , Fei Yang , Ning Sun , Sheng Chen , Yanfeng Jiang , Aimin Pan

Large Language Models (LLMs) have demonstrated exceptional proficiency in text understanding and embedding tasks. However, their potential in multimodal representation, particularly for item-to-item (I2I) recommendations, remains…

Information Retrieval · Computer Science 2025-01-22 Chao Zhang , Haoxin Zhang , Shiwei Wu , Di Wu , Tong Xu , Xiangyu Zhao , Yan Gao , Yao Hu , Enhong Chen

Contrastive vision-language models such as CLIP have demonstrated strong performance across a wide range of multimodal tasks by learning from aligned image-text pairs. However, their ability to handle complex, real-world web documents…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Yiqi Lin , Alex Jinpeng Wang , Linjie Li , Zhengyuan Yang , Mike Zheng Shou

There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but ignore the vast textual knowledge available in chemistry.…

Machine Learning · Computer Science 2024-01-31 Shengchao Liu , Weili Nie , Chengpeng Wang , Jiarui Lu , Zhuoran Qiao , Ling Liu , Jian Tang , Chaowei Xiao , Anima Anandkumar

The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. Nonetheless, remarkable changes in associated atomic sites and…

Computational Engineering, Finance, and Science · Computer Science 2023-11-01 Fang Wu , Shuting Jin , Yinghui Jiang , Xurui Jin , Bowen Tang , Zhangming Niu , Xiangrong Liu , Qiang Zhang , Xiangxiang Zeng , Stan Z. Li

The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a…

Biomolecules · Quantitative Biology 2025-06-13 Jason Yang , Aadyot Bhatnagar , Jeffrey A. Ruffolo , Ali Madani

Automated data visualization plays a crucial role in simplifying data interpretation, enhancing decision-making, and improving efficiency. While large language models (LLMs) have shown promise in generating visualizations from natural…

Computation and Language · Computer Science 2025-07-29 Mizanur Rahman , Md Tahmid Rahman Laskar , Shafiq Joty , Enamul Hoque

Recently, prompt tuning \cite{lester2021power} has gradually become a new paradigm for NLP, which only depends on the representation of the words by freezing the parameters of pre-trained language models (PLMs) to obtain remarkable…

Computation and Language · Computer Science 2022-01-31 Pan He , Yuxi Chen , Yan Wang , Yanru Zhang

Video-and-language pre-training has shown promising improvements on various downstream tasks. Most previous methods capture cross-modal interactions with a transformer-based multimodal encoder, not fully addressing the misalignment between…

Computer Vision and Pattern Recognition · Computer Science 2021-12-24 Dongxu Li , Junnan Li , Hongdong Li , Juan Carlos Niebles , Steven C. H. Hoi

A large number of protein sequences are becoming available through the application of novel high-throughput sequencing technologies. Experimental functional characterization of these proteins is time-consuming and expensive, and is often…

Genomics · Quantitative Biology 2017-09-28 Maxat Kulmanov , Mohammed Asif Khan , Robert Hoehndorf

This paper proposes a novel approach to pre-train encoder-decoder sequence-to-sequence (seq2seq) model with unpaired speech and transcripts respectively. Our pre-training method is divided into two stages, named acoustic pre-trianing and…

Sound · Computer Science 2020-01-03 Zhiyun Fan , Shiyu Zhou , Bo Xu

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from…

Biomolecules · Quantitative Biology 2023-10-19 Xiaomin Fang , Fan Wang , Lihang Liu , Jingzhou He , Dayong Lin , Yingfei Xiang , Xiaonan Zhang , Hua Wu , Hui Li , Le Song

The aim of Logic2Text is to generate controllable and faithful texts conditioned on tables and logical forms, which not only requires a deep understanding of the tables and logical forms, but also warrants symbolic reasoning over the…

Computation and Language · Computer Science 2022-10-18 Chengyuan Liu , Leilei Gan , Kun Kuang , Fei Wu

As the text-to-image (T2I) domain progresses, generating text that seamlessly integrates with visual content has garnered significant attention. However, even with accurate text generation, the inability to control font and color can…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Yuxiang Tuo , Yifeng Geng , Liefeng Bo