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Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

Protein design has become a critical method in advancing significant potential for various applications such as drug development and enzyme engineering. However, protein design methods utilizing large language models with solely pretraining…

Artificial Intelligence · Computer Science 2024-12-06 Xiao-Yu Guo , Yi-Fan Li , Yuan Liu , Xiaoyong Pan , Hong-Bin Shen

Transcriptional and post-transcriptional regulation shape tissue-type-specific proteomes, but their relative contributions remain contested. Estimates of the factors determining protein levels in human tissues do not distinguish between (i)…

Genomics · Quantitative Biology 2017-05-15 Alexander Franks , Edoardo Airoldi , Nikolai Slavov

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

Recent methods that integrate spatial layouts with text for document understanding in large language models (LLMs) have shown promising results. A commonly used method is to represent layout information as text tokens and interleave them…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Zhaoqing Zhu , Chuwei Luo , Zirui Shao , Feiyu Gao , Hangdi Xing , Qi Zheng , Ji Zhang

Image captioning model is a cross-modality knowledge discovery task, which targets at automatically describing an image with an informative and coherent sentence. To generate the captions, the previous encoder-decoder frameworks directly…

Computer Vision and Pattern Recognition · Computer Science 2021-02-24 Ziwei Wang , Yadan Luo , Zi Huang

Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit…

Biomolecules · Quantitative Biology 2026-05-28 Chen Wei , Fanding Xu , Minghao Sun , Zhiyuan Liu , Lin Wang , Tianrui Jia , Yihang Zhou , Yang Zhang

Transformers predict over a representation of a sequence. The same data can be written as bytes, characters, or subword tokens, and these representations may be lossless. Yet, under a fixed context window, they need not expose the same…

Machine Learning · Computer Science 2026-05-14 Amirmehdi Jafari Fesharaki , Mohammadamin Rami , Aslan Tchamkerten

Metaproteomics has become a crucial omics technology for studying microbiomes. In this area, the Unipept ecosystem, accessible at https://unipept.ugent.be, has emerged as an invaluable resource for analyzing metaproteomic data. It offers…

Molecular Networks · Quantitative Biology 2023-11-14 Tim Van Den Bossche , Pieter Verschaffelt , Tibo Vande Moortele , Peter Dawyndt , Lennart Martens , Bart Mesuere

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

Machine Learning · Computer Science 2019-11-13 Shion Honda , Shoi Shi , Hiroki R. Ueda

Through sequence-based classification, this paper tries to accurately predict the DNA binding sites of transcription factors (TFs) in an unannotated cellular context. Related methods in the literature fail to perform such predictions…

Machine Learning · Computer Science 2016-11-17 Ritambhara Singh , Jack Lanchantin , Gabriel Robins , Yanjun Qi

Sequence learning, prediction and replay have been proposed to constitute the universal computations performed by the neocortex. The Hierarchical Temporal Memory (HTM) algorithm realizes these forms of computation. It learns sequences in an…

Neurons and Cognition · Quantitative Biology 2022-07-21 Younes Bouhadjar , Dirk J. Wouters , Markus Diesmann , Tom Tetzlaff

We introduce a novel visual tokenization framework that embeds a provable PCA-like structure into the latent token space. While existing visual tokenizers primarily optimize for reconstruction fidelity, they often neglect the structural…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Xin Wen , Bingchen Zhao , Ismail Elezi , Jiankang Deng , Xiaojuan Qi

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Large protein language models are adept at capturing the underlying evolutionary information in primary structures, offering significant practical value for protein engineering. Compared to natural language models, protein amino acid…

Computation and Language · Computer Science 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple…

Computation and Language · Computer Science 2024-10-25 Nicholas Walker

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Probabilistic topic models are a powerful tool for extracting latent themes from large text datasets. In many text datasets, we also observe per-document covariates (e.g., source, style, political affiliation) that act as environments that…

Computation and Language · Computer Science 2024-11-04 Dominic Sobhani , Amir Feder , David Blei

Token-based video representation has emerged as a promising approach for enabling large language models (LLMs) to interpret video content. However, existing token reduction techniques, such as pruning and merging, often disrupt essential…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Haichao Zhang , Yun Fu
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