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Pathology text mining is a challenging task given the reporting variability and constant new findings in cancer sub-type definitions. However, successful text mining of a large pathology database can play a critical role to advance 'big…

计算与语言 · 计算机科学 2022-05-17 Thiago Santos , Amara Tariq , Susmita Das , Kavyasree Vayalpati , Geoffrey H. Smith , Hari Trivedi , Imon Banerjee

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

生物大分子 · 定量生物学 2024-09-17 Boqiao Lai

Clinical prediction is an essential task in the healthcare industry. However, the recent success of transformers, on which large language models are built, has not been extended to this domain. In this research, we explore the use of…

计算与语言 · 计算机科学 2023-05-08 Zekai Chen , Mariann Micsinai Balan , Kevin Brown

When we speak, write or listen, we continuously make predictions based on our knowledge of a language's grammar. Remarkably, children acquire this grammatical knowledge within just a few years, enabling them to understand and generalise to…

计算与语言 · 计算机科学 2024-11-26 Jaap Jumelet

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…

定量方法 · 定量生物学 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

We present an efficient method of utilizing pretrained language models, where we learn selective binary masks for pretrained weights in lieu of modifying them through finetuning. Extensive evaluations of masking BERT and RoBERTa on a series…

计算与语言 · 计算机科学 2020-10-13 Mengjie Zhao , Tao Lin , Fei Mi , Martin Jaggi , Hinrich Schütze

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

定量方法 · 定量生物学 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

Large Language Models (LLMs) fine-tuned for specific domains exhibit strong performance; however, the underlying mechanisms by which this fine-tuning reshapes their parametric space are not well understood. Prior works primarily focus on…

计算与语言 · 计算机科学 2025-10-13 Eshaan Tanwar , Deepak Nathani , William Yang Wang , Tanmoy Chakraborty

This paper investigates the application of the transformer architecture in protein folding, as exemplified by DeepMind's AlphaFold project, and its implications for the understanding of so-called large language models. The prevailing…

计算机与社会 · 计算机科学 2024-12-10 Fabian Offert , Paul Kim , Qiaoyu Cai

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

生物大分子 · 定量生物学 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

生物大分子 · 定量生物学 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

生物大分子 · 定量生物学 2023-10-20 Markus J. Buehler

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…

机器学习 · 计算机科学 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

机器学习 · 计算机科学 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Recent advancements in deep learning, particularly large language models (LLMs), made a significant impact on how researchers study microbiome and metagenomics data. Microbial protein and genomic sequences, like natural languages, form a…

定量方法 · 定量生物学 2024-09-18 Binghao Yan , Yunbi Nam , Lingyao Li , Rebecca A. Deek , Hongzhe Li , Siyuan Ma

Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how…

机器学习 · 计算机科学 2022-06-29 Erik Nijkamp , Jeffrey Ruffolo , Eli N. Weinstein , Nikhil Naik , Ali Madani

Large language models like GPT-3.5-turbo and GPT-4 hold promise for healthcare professionals, but they may inadvertently inherit biases during their training, potentially affecting their utility in medical applications. Despite few attempts…

计算与语言 · 计算机科学 2024-09-18 Yifan Yang , Xiaoyu Liu , Qiao Jin , Furong Huang , Zhiyong Lu

Language models (LMs) capabilities have grown with a fast pace over the past decade leading researchers in various disciplines, such as biomedical research, to increasingly explore the utility of LMs in their day-to-day applications. Domain…

计算与语言 · 计算机科学 2025-06-16 Aman Sinha , Bogdan-Valentin Popescu , Xavier Coubez , Marianne Clausel , Mathieu Constant

Protein language models learn powerful representations directly from sequences of amino acids. However, they are constrained to generate proteins with only the set of amino acids represented in their vocabulary. In contrast, chemical…

生物大分子 · 定量生物学 2023-08-21 Daniel Flam-Shepherd , Kevin Zhu , Alán Aspuru-Guzik

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…