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This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

机器学习 · 计算机科学 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Large language models (LLMs) are increasingly employed in information-seeking and decision-making tasks. Despite their broad utility, LLMs tend to generate information that conflicts with real-world facts, and their persuasive style can…

计算与语言 · 计算机科学 2024-09-19 Arslan Chaudhry , Sridhar Thiagarajan , Dilan Gorur

In recent years, Large Language Models (LLMs) have become fundamental to a broad spectrum of artificial intelligence applications. As the use of LLMs expands, precisely estimating the uncertainty in their predictions has become crucial.…

Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with…

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

软凝聚态物质 · 物理学 2024-02-08 A. Ghafarollahi , M. J. Buehler

Large Language Models (LLMs) are increasingly used in clinical settings, where sensitivity to linguistic uncertainty can influence diagnostic interpretation and decision-making. Yet little is known about where such epistemic cues are…

计算与语言 · 计算机科学 2025-12-01 Srivarshinee Sridhar , Raghav Kaushik Ravi , Kripabandhu Ghosh

Biological data are extremely diverse, complex but also quite sparse. The recent developments in deep learning methods are offering new possibilities for the analysis of complex data. However, it is easy to be get a deep learning model that…

机器学习 · 计算机科学 2019-01-21 Florian Richoux , Charlène Servantie , Cynthia Borès , Stéphane Téletchéa

Large language models (LLMs) have revolutionized the field of natural language processing with their impressive reasoning and question-answering capabilities. However, these models are sometimes prone to generating credible-sounding but…

计算与语言 · 计算机科学 2026-04-21 Ranganath Krishnan , Piyush Khanna , Omesh Tickoo

As large language models (LLMs) continue to advance, there is a growing urgency to enhance the interpretability of their internal knowledge mechanisms. Consequently, many interpretation methods have emerged, aiming to unravel the knowledge…

计算与语言 · 计算机科学 2025-06-11 Jiaxiang Liu , Boxuan Xing , Chenhao Yuan , Chenxiang Zhang , Di Wu , Xiusheng Huang , Haida Yu , Chuhan Lang , Pengfei Cao , Jun Zhao , Kang Liu

Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

机器学习 · 计算机科学 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

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

Handling graph data is one of the most difficult tasks. Traditional techniques, such as those based on geometry and matrix factorization, rely on assumptions about the data relations that become inadequate when handling large and complex…

机器学习 · 计算机科学 2024-04-15 Zhenyu Qian , Yiming Qian , Yuting Song , Fei Gao , Hai Jin , Chen Yu , Xia Xie

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

定量方法 · 定量生物学 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

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

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

生物大分子 · 定量生物学 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

Protein-protein interaction (PPI) extraction from published scientific literature provides additional support for precision medicine efforts. However, many of the current PPI extraction methods need extensive feature engineering and cannot…

计算与语言 · 计算机科学 2020-01-08 Huiwei Zhou , Zhuang Liu1 , Shixian Ning , Chengkun Lang , Yingyu Lin , Lei Du

Explainable disease diagnosis, which leverages patient information (e.g., signs and symptoms) and computational models to generate probable diagnoses and reasonings, offers clear clinical values. However, when clinical notes encompass…

We present an automatic large language model (LLM) conversion approach that produces uncertainty-aware LLMs capable of estimating uncertainty with every prediction. Our approach is model- and data-agnostic, is computationally-efficient, and…

Over the last year, Large Language Models (LLMs) like ChatGPT have become widely available and have exhibited fairness issues similar to those in previous machine learning systems. Current research is primarily focused on analyzing and…

机器学习 · 计算机科学 2024-04-04 Anna Kruspe

Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with…

机器学习 · 计算机科学 2025-12-09 Shuo Zhang , Jian K. Liu