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The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these…

Machine Learning · Computer Science 2025-12-02 Zicheng Liu , Siyuan Li , Zhiyuan Chen , Chang Yu , Qirong Yang , Yucheng Guo , Yujie Yang , Xiaoming Zhang , Stan Z. Li

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural,…

This work presents an omics-driven modeling pipeline that integrates machine-learning tools to facilitate the dynamic modeling of multiscale biological systems. Random forests and permutation feature importance are proposed to mine omics…

Quantitative Methods · Quantitative Biology 2025-01-17 Sebastián Espinel-Ríos , José Montaño López , José L. Avalos

The recent advancement of pre-trained Transformer models has propelled the development of effective text mining models across various biomedical tasks. However, these models are primarily learned on the textual data and often lack the…

Computation and Language · Computer Science 2021-07-02 Sriram Pingali , Shweta Yadav , Pratik Dutta , Sriparna Saha

Modeling biological sequences such as DNA, RNA, and proteins is crucial for understanding complex processes like gene regulation and protein synthesis. However, most current models either focus on a single type or treat multiple types of…

Genomics · Quantitative Biology 2024-10-16 Weixi Xiang , Xueting Han , Xiujuan Chai , Jing Bai

We present a methodology for training foundational transformer models capable of processing collider data with diverse kinematic signatures. Our universal foundation model is designed for simultaneous analysis of all processes involving…

High Energy Physics - Phenomenology · Physics 2025-11-13 E. Abasov , L. Dudko , E. Iudin , A. Markina , P. Volkov , M. Perfilov , A. Zaborenko

Recently, human-computer interaction with various modalities has shown promising applications, like GPT-4o and Gemini. Given the foundational role of multimodal joint representation in understanding and generation pipelines, high-quality…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Zehan Wang , Ziang Zhang , Hang Zhang , Luping Liu , Rongjie Huang , Xize Cheng , Hengshuang Zhao , Zhou Zhao

Biological sequences encode fundamental instructions for the building blocks of life, in the form of DNA, RNA, and proteins. Modeling these sequences is key to understand disease mechanisms and is an active research area in computational…

Over the past six years, molecular transformer models have become key tools in drug discovery. Most existing models are pre-trained on large, unlabeled datasets such as ZINC or ChEMBL. However, the extent to which large-scale pre-training…

Machine Learning · Computer Science 2025-05-23 Afnan Sultan , Max Rausch-Dupont , Shahrukh Khan , Olga Kalinina , Dietrich Klakow , Andrea Volkamer

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

We build a Generative Pre-trained Transformer (GPT) model from scratch to solve sequential decision making tasks arising in contexts of operations research and management science which we call OMGPT. We first propose a general sequence…

Machine Learning · Computer Science 2025-05-21 Hanzhao Wang , Guanting Chen , Kalyan Talluri , Xiaocheng Li

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

Biomolecules · Quantitative Biology 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

Protein-protein interactions (PPIs) are essentials for many biological processes where two or more proteins physically bind together to achieve their functions. Modeling PPIs is useful for many biomedical applications, such as vaccine…

Biomolecules · Quantitative Biology 2021-12-10 Yang Xue , Zijing Liu , Xiaomin Fang , Fan Wang

The use of diverse modalities, such as omics, medical images, and clinical data can not only improve the performance of prognostic models but also deepen an understanding of disease mechanisms and facilitate the development of novel…

Image and Video Processing · Electrical Eng. & Systems 2025-08-14 Maria Boyko , Aleksandra Beliaeva , Dmitriy Kornilov , Alexander Bernstein , Maxim Sharaev

Scaling data and artificial neural networks has transformed AI, driving breakthroughs in language and vision. Whether similar principles apply to modeling brain activity remains unclear. Here we leveraged a dataset of 3.1 million neurons…

Deep neural networks, particularly Transformers, have been widely adopted for predicting the functional properties of proteins. In this work, we focus on exploring whether Protein Transformers can capture biological intelligence among…

Machine Learning · Computer Science 2025-06-10 Fudong Lin , Wanrou Du , Jinchan Liu , Tarikul Milon , Shelby Meche , Wu Xu , Xiaoqi Qin , Xu Yuan

Prior work has studied different visual modalities in isolation and developed separate architectures for recognition of images, videos, and 3D data. Instead, in this paper, we propose a single model which excels at classifying images,…

Computer Vision and Pattern Recognition · Computer Science 2022-04-01 Rohit Girdhar , Mannat Singh , Nikhila Ravi , Laurens van der Maaten , Armand Joulin , Ishan Misra

Protein-protein interactions are central mediators in many biological processes. Accurately predicting the effects of mutations on interactions is crucial for guiding the modulation of these interactions, thereby playing a significant role…

Machine Learning · Computer Science 2024-05-29 Yuanle Mo , Xin Hong , Bowen Gao , Yinjun Jia , Yanyan Lan

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel
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