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The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing…

Quantitative Methods · Quantitative Biology 2024-03-13 Jiarui Lu , Bozitao Zhong , Zuobai Zhang , Jian Tang

Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with…

Machine Learning · Computer Science 2025-12-09 Shuo Zhang , Jian K. Liu

The rapid advancement of generative models has significantly enhanced the realism and customization of digital content creation. The increasing power of these tools, coupled with their ease of access, fuels the creation of photorealistic…

Computer Vision and Pattern Recognition · Computer Science 2024-08-01 Francesco Laiti , Benedetta Liberatori , Thomas De Min , Elisa Ricci

Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the…

Machine Learning · Computer Science 2025-03-25 Daiheng Zhang , Yan Zeng , Xinyu Hong , Jinbo Xu

In the literature, the research on abstract meaning representation (AMR) parsing is much restricted by the size of human-curated dataset which is critical to build an AMR parser with good performance. To alleviate such data size…

Computation and Language · Computer Science 2020-10-06 Dongqin Xu , Junhui Li , Muhua Zhu , Min Zhang , Guodong Zhou

Previous work on augmenting large multimodal models (LMMs) for text-to-image (T2I) generation has focused on enriching the input space of in-context learning (ICL). This includes providing a few demonstrations and optimizing image…

Computation and Language · Computer Science 2025-01-14 Yongyu Mu , Hengyu Li , Junxin Wang , Xiaoxuan Zhou , Chenglong Wang , Yingfeng Luo , Qiaozhi He , Tong Xiao , Guocheng Chen , Jingbo Zhu

Large-scale image-text contrastive pre-training models, such as CLIP, have been demonstrated to effectively learn high-quality multimodal representations. However, there is limited research on learning video-text representations for general…

Computer Vision and Pattern Recognition · Computer Science 2023-05-23 Xingjian He , Sihan Chen , Fan Ma , Zhicheng Huang , Xiaojie Jin , Zikang Liu , Dongmei Fu , Yi Yang , Jing Liu , Jiashi Feng

Generative modeling for protein engineering is key to solving fundamental problems in synthetic biology, medicine, and material science. We pose protein engineering as an unsupervised sequence generation problem in order to leverage the…

This work presents a general unsupervised learning method to improve the accuracy of sequence to sequence (seq2seq) models. In our method, the weights of the encoder and decoder of a seq2seq model are initialized with the pretrained weights…

Computation and Language · Computer Science 2018-02-23 Prajit Ramachandran , Peter J. Liu , Quoc V. Le

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

As powerful pre-trained vision-language models (VLMs) like CLIP gain prominence, numerous studies have attempted to combine VLMs for downstream tasks. Among these, prompt learning has been validated as an effective method for adapting to…

Computer Vision and Pattern Recognition · Computer Science 2024-09-19 Yu Du , Tong Niu , Rong Zhao

Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for…

Biomolecules · Quantitative Biology 2024-10-24 Wenrui Gou , Wenhui Ge , Yang Tan , Mingchen Li , Guisheng Fan , Huiqun Yu

Text embeddings are useful features in many applications such as semantic search and computing text similarity. Previous work typically trains models customized for different use cases, varying in dataset choice, training objective and…

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

The structural similarities between protein sequences and natural languages have led to parallel advancements in deep learning across both domains. While large language models (LLMs) have achieved much progress in the domain of natural…

Biomolecules · Quantitative Biology 2024-08-29 Yiqing Shen , Zan Chen , Michail Mamalakis , Yungeng Liu , Tianbin Li , Yanzhou Su , Junjun He , Pietro Liò , Yu Guang Wang

Multilingual vision-language (V&L) pre-training has achieved remarkable progress in learning universal representations across different modalities and languages. In spite of recent success, there still remain challenges limiting further…

Computation and Language · Computer Science 2023-05-16 Chulun Zhou , Yunlong Liang , Fandong Meng , Jinan Xu , Jinsong Su , Jie Zhou

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping…

Quantitative Methods · Quantitative Biology 2024-05-24 Zhiyuan Liu , Yaorui Shi , An Zhang , Sihang Li , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Small-molecule foundation models are typically pretrained on standalone molecular data, unlike vision and language models that often benefit from cross-modal or relational supervision. Protein-ligand co-folding provides a molecular analogue…

Biomolecules · Quantitative Biology 2026-05-25 Hyosoon Jang , Hyunjin Seo , Honghui Kim , Seonghyun Park , Taewon Kim , Yunhui Jang , Sungsoo Ahn

Most text-to-video(T2V) diffusion models depend on pre-trained text encoders for semantic alignment, yet they often fail to maintain video quality when provided with concise prompts rather than well-designed ones. The primary issue lies in…

Computer Vision and Pattern Recognition · Computer Science 2025-11-07 Xiangjun Zhang , Litong Gong , Yinglin Zheng , Yansong Liu , Wentao Jiang , Mingyi Xu , Biao Wang , Tiezheng Ge , Ming Zeng

We present a demonstration of a neural interactive-predictive system for tackling multimodal sequence to sequence tasks. The system generates text predictions to different sequence to sequence tasks: machine translation, image and video…

Computation and Language · Computer Science 2019-05-31 Álvaro Peris , Francisco Casacuberta