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Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

机器学习 · 计算机科学 2021-09-29 Alexey Strokach , Philip M. Kim

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…

计算与语言 · 计算机科学 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Large Language Models (LLMs) have emerged as powerful candidates to inform clinical decision-making processes. While these models play an increasingly prominent role in shaping the digital landscape, two growing concerns emerge in…

计算与语言 · 计算机科学 2024-04-24 Raphael Poulain , Hamed Fayyaz , Rahmatollah Beheshti

From self-supervised, vision-only models to contrastive visual-language frameworks, computational pathology has rapidly evolved in recent years. Generative AI "co-pilots" now demonstrate the ability to mine subtle, sub-visual tissue cues…

计算机视觉与模式识别 · 计算机科学 2025-02-13 Mohsin Bilal , Aadam , Manahil Raza , Youssef Altherwy , Anas Alsuhaibani , Abdulrahman Abduljabbar , Fahdah Almarshad , Paul Golding , Nasir Rajpoot

We provide an overview of the emergence of large language models for scientific computing applications. We highlight use cases that involve natural language processing of scientific documents and specialized languages designed to describe…

计算与语言 · 计算机科学 2024-06-12 Christopher Culver , Peter Hicks , Mihailo Milenkovic , Sanjif Shanmugavelu , Tobias Becker

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

机器学习 · 计算机科学 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Have you ever been troubled by the complexity and computational cost of SE(3) protein structure modeling and been amazed by the simplicity and power of language modeling? Recent work has shown promise in simplifying protein structures as…

定量方法 · 定量生物学 2023-01-25 Zhangyang Gao , Cheng Tan , Stan Z. Li

The ability to absorb mutations while retaining structure and function, or mutational robustness, is a remarkable property of natural proteins. In this Letter, we use a computational model of organismic evolution [Zeldovich et al, PLOS Comp…

生物大分子 · 定量生物学 2008-06-25 Konstantin B. Zeldovich , Eugene I. Shakhnovich

Language models exhibit strong robustness to paraphrasing, suggesting that semantic information may be encoded through stable internal representations, yet the structure and origin of such invariance remain unclear. We propose a local…

机器学习 · 计算机科学 2026-05-08 Agnibh Dasgupta , Abdullah Tanvir , Xin Zhong

As machine learning becomes increasingly integral to autonomous decision-making processes involving human interaction, the necessity of comprehending the model's outputs through conversational means increases. Most recently, foundation…

人工智能 · 计算机科学 2024-07-31 Sule Tekkesinoglu , Lars Kunze

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

计算与语言 · 计算机科学 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Protein evolution through amino acid mutations is a cornerstone of life sciences. Recent advances in protein language models have shown rich evolutionary patterns, offering unprecedented potential for in-silicon directed evolution. However,…

人工智能 · 计算机科学 2026-01-08 Yaodong Yang , Yang Wang , Jinpeng Li , Pei Guo , Da Han , Guangyong Chen , Pheng-Ann Heng

Change detection is a fundamental task in computer vision that processes a bi-temporal image pair to differentiate between semantically altered and unaltered regions. Large language models (LLMs) have been utilized in various domains for…

计算机视觉与模式识别 · 计算机科学 2024-06-14 Zhenglin Li , Yangchen Huang , Mengran Zhu , Jingyu Zhang , JingHao Chang , Houze Liu

Protein fitness optimization is challenged by a vast combinatorial landscape where high-fitness variants are extremely sparse. Many current methods either underperform or require computationally expensive gradient-based sampling. We present…

Foundation models, first introduced in 2021, refer to large-scale pretrained models (e.g., large language models (LLMs) and vision-language models (VLMs)) that learn from extensive unlabeled datasets through unsupervised methods, enabling…

Large-scale language models achieved state-of-the-art performance over a number of language tasks. However, they fail on adversarial language examples, which are sentences optimized to fool the language models but with similar semantic…

计算与语言 · 计算机科学 2023-10-31 Noah Thomas McDermott , Junfeng Yang , Chengzhi Mao

Large language models (LLMs) can capture rich representations of concepts that are useful for real-world tasks. However, language alone is limited. While existing LLMs excel at text-based inferences, health applications require that models…

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

生物大分子 · 定量生物学 2025-01-06 Weihang Dai

Peptide therapeutics, including macrocycles, peptide inhibitors, and bioactive linear peptides, play a crucial role in therapeutic development due to their unique physicochemical properties. However, predicting these properties remains…

生物大分子 · 定量生物学 2024-10-29 Leyao Wang , Rishab Pulugurta , Pranay Vure , Yinuo Zhang , Aastha Pal , Pranam Chatterjee