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Protein structure tokenizers enable the creation of multimodal models of protein structure, sequence, and function. Current approaches to protein structure tokenization rely on bespoke components that are invariant to spatial symmetries,…

Machine Learning · Computer Science 2025-10-02 Rohit Dilip , Evan Zhang , Ayush Varshney , David Van Valen

Tokenization is a promising path to multi-modal models capable of jointly understanding protein sequences, structure, and function. Existing protein structure tokenizers create tokens by pooling information from local neighborhoods, an…

Machine Learning · Computer Science 2026-02-09 Rohit Dilip , Ayush Varshney , David Van Valen

Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of…

Quantitative Methods · Quantitative Biology 2025-06-26 Xinyu Yuan , Zichen Wang , Marcus Collins , Huzefa Rangwala

Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent works on structure tokenization, the properties of the…

Machine Learning · Computer Science 2025-11-14 Zijing Liu , Bin Feng , He Cao , Yu Li

Existing vision tokenization isolates the optimization of vision tokenizers from downstream training, implicitly assuming the visual tokens can generalize well across various tasks, e.g., image generation and visual question answering. The…

Computer Vision and Pattern Recognition · Computer Science 2025-05-16 Wenxuan Wang , Fan Zhang , Yufeng Cui , Haiwen Diao , Zhuoyan Luo , Huchuan Lu , Jing Liu , Xinlong Wang

The equivalent nature of 3D coordinates has posed long term challenges in protein structure representation learning, alignment, and generation. Can we create a compact and invariant language that equivalently represents protein structures?…

Biomolecules · Quantitative Biology 2024-07-02 Zhangyang Gao , Cheng Tan , Stan Z. Li

Generative models for de novo protein backbone design have achieved remarkable success in creating novel protein structures. However, these diffusion-based approaches remain computationally intensive and slower than desired for large-scale…

Machine Learning · Computer Science 2026-02-09 Shentong Mo , Lanqing Li

Recent advances in multimodal models highlight the pivotal role of image tokenization in high-resolution image generation. By compressing images into compact latent representations, tokenizers enable generative models to operate in…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Qihang Rao , Borui Zhang , Wenzhao Zheng , Jie Zhou , Jiwen Lu

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into…

Machine Learning · Computer Science 2025-06-13 Cheng-Yen Hsieh , Xinyou Wang , Daiheng Zhang , Dongyu Xue , Fei Ye , Shujian Huang , Zaixiang Zheng , Quanquan Gu

Modern Text-to-Image (T2I) generation increasingly relies on token-centric architectures that are trained with self-supervision, yet effectively fusing text with visual tokens remains a challenge. We propose \textbf{JEPA-T}, a unified…

Computer Vision and Pattern Recognition · Computer Science 2025-10-02 Siheng Wan , Zhengtao Yao , Zhengdao Li , Junhao Dong , Yanshu Li , Yikai Li , Linshan Li , Haoyan Xu , Yijiang Li , Zhikang Dong , Huacan Wang , Jifeng Shen

Accurate representation of the multiscale features in spatiotemporal physical systems using vision transformer (ViT) architectures requires extremely long, computationally prohibitive token sequences. To address this issue, we propose two…

Machine Learning · Computer Science 2024-12-31 Pei Zhang , M. Paul Laiu , Matthew Norman , Doug Stefanski , John Gounley

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs):…

Quantitative Methods · Quantitative Biology 2026-03-03 Michael Sun , Weize Yuan , Gang Liu , Wojciech Matusik , Marinka Zitnik

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

Quantitative Methods · Quantitative Biology 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

The diverse nature of protein prediction tasks has traditionally necessitated specialized models, hindering the development of broadly applicable and computationally efficient Protein Language Models (PLMs). In this work, we introduce…

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,…

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a…

Quantitative Methods · Quantitative Biology 2024-01-08 Timothy F. Truong , Tristan Bepler

Foundation models for point cloud data have recently grown in capability, often leveraging extensive representation learning from language or vision. In this work, we take a more controlled approach by introducing a lightweight…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Konrad Szafer , Marek Kraft , Dominik Belter

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

Computer-Aided Design (CAD) is a foundational component of industrial prototyping, where models are defined not by raw coordinates but by construction sequences such as sketches and extrusions. This sequential structure enables both…

Machine Learning · Computer Science 2026-03-05 Ruiyu Wang , Shizhao Sun , Weijian Ma , Jiang Bian

Image tokenizers form the foundation of modern text-to-image generative models but are notoriously difficult to train. Furthermore, most existing text-to-image models rely on large-scale, high-quality private datasets, making them…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Dongwon Kim , Ju He , Qihang Yu , Chenglin Yang , Xiaohui Shen , Suha Kwak , Liang-Chieh Chen
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