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The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

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

Generating novel and functional protein sequences is critical to a wide range of applications in biology. Recent advancements in conditional diffusion models have shown impressive empirical performance in protein generation tasks. However,…

Machine Learning · Computer Science 2025-12-04 Zinan Ling , Yi Shi , Brett McKinney , Da Yan , Yang Zhou , Bo Hui

Multi-modal Large Language Model (MLLM) refers to a model expanded from a Large Language Model (LLM) that possesses the capability to handle and infer multi-modal data. Current MLLMs typically begin by using LLMs to decompose tasks into…

Computation and Language · Computer Science 2023-09-01 Yongqiang Zhao , Zhenyu Li , Feng Zhang , Xinhai Xu , Donghong Liu

Vision-language models pre-trained on large scale of unlabeled biomedical images and associated reports learn generalizable semantic representations. These multi-modal representations can benefit various downstream tasks in the biomedical…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Xinliu Zhong , Kayhan Batmanghelich , Li Sun

This research introduces a transformative framework for integrating Vision-Enhanced Large Language Models (LLMs) with advanced transformer-based architectures to tackle challenges in high-resolution image synthesis and multimodal data…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Karthikeya KV

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Text-rich graphs, which exhibit rich textual information on nodes and edges, are prevalent across a wide range of real-world business applications. Large Language Models (LLMs) have demonstrated remarkable abilities in understanding text,…

Computation and Language · Computer Science 2024-04-30 Qi Zhu , Da Zheng , Xiang Song , Shichang Zhang , Bowen Jin , Yizhou Sun , George Karypis

Automated protein function prediction is a challenging problem with distinctive features, such as the hierarchical organization of protein functions and the scarcity of annotated proteins for most biological functions. We propose a…

Machine Learning · Statistics 2019-04-09 Marco Frasca , Nicolò Cesa Bianchi

Large Language Models (LLMs), primarily trained on text-based datasets, exhibit exceptional proficiencies in understanding and executing complex linguistic instructions via text outputs. However, they falter when requests to generate…

Computer Vision and Pattern Recognition · Computer Science 2023-09-15 Xinyu Wang , Bohan Zhuang , Qi Wu

This paper proposes a learning model, based on rank-fusion graphs, for general applicability in multimodal prediction tasks, such as multimodal regression and image classification. Rank-fusion graphs encode information from multiple…

Computer Vision and Pattern Recognition · Computer Science 2020-07-06 Icaro Cavalcante Dourado , Salvatore Tabbone , Ricardo da Silva Torres

Feature modeling of different modalities is a basic problem in current research of cross-modal information retrieval. Existing models typically project texts and images into one embedding space, in which semantically similar information…

Multimedia · Computer Science 2019-06-13 Jing Yu , Chenghao Yang , Zengchang Qin , Zhuoqian Yang , Yue Hu , Weifeng Zhang

Recently, text classification model based on graph neural network (GNN) has attracted more and more attention. Most of these models adopt a similar network paradigm, that is, using pre-training node embedding initialization and two-layer…

Computation and Language · Computer Science 2023-01-26 Jiayuan Chen , Boyu Zhang , Yinfei Xu , Meng Wang

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…

Machine Learning · Computer Science 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to…

Machine Learning · Computer Science 2023-06-01 Alex Foote , Neel Nanda , Esben Kran , Ioannis Konstas , Shay Cohen , Fazl Barez

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

Graphs can inherently model interconnected objects on the Web, thereby facilitating a series of Web applications, such as web analyzing and content recommendation. Recently, Graph Neural Networks (GNNs) have emerged as a mainstream…

Computation and Language · Computer Science 2024-08-27 Xingtong Yu , Chang Zhou , Yuan Fang , Xinming Zhang

Large language models (LLMs) constitute a breakthrough state-of-the-art Artificial Intelligence technology which is rapidly evolving and promises to aid in medical diagnosis. However, the correctness and the accuracy of their returns has…

Computation and Language · Computer Science 2024-02-07 Dimitrios P. Panagoulias , Maria Virvou , George A. Tsihrintzis
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