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Proteins are macromolecules that perform essential functions in all living organisms. Designing novel proteins with specific structures and desired functions has been a long-standing challenge in the field of bioengineering. Existing…

生物大分子 · 定量生物学 2023-03-03 Chence Shi , Chuanrui Wang , Jiarui Lu , Bozitao Zhong , Jian Tang

We introduce the Probabilistic Worldbuilding Model (PWM), a new fully-symbolic Bayesian model of semantic parsing and reasoning, as a first step in a research program toward more domain- and task-general NLU and AI. Humans create internal…

计算与语言 · 计算机科学 2021-12-22 Abulhair Saparov , Tom M. Mitchell

Principal component analysis (PCA) is a tool to capture factors that explain variation in data. Across domains, data are now collected across multiple contexts (for example, individuals with different diseases, cells of different types, or…

机器学习 · 统计学 2026-01-22 Kexin Wang , Salil Bhate , João M. Pereira , Joe Kileel , Matylda Figlerowicz , Anna Seigal

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

Protein-protein docking tools help in studying interactions between proteins, and are essential for drug, vaccine, and therapeutic development. However, the accuracy of a docking tool depends on a robust scoring function that can reliably…

机器学习 · 计算机科学 2025-10-21 Azam Shirali , Giri Narasimhan

Proteins are made of atoms constantly fluctuating, but can occasionally undergo large-scale changes. Such transitions are of biological interest, linking the structure of a protein to its function with a cell. Atomic-level simulations, such…

计算物理 · 物理学 2022-10-26 Amélie Chatelain , Elena Tommasone , Laurent Daudet , Iacopo Poli

Natural Language Processing (NLP) has transformed various fields beyond linguistics by applying techniques originally developed for human language to the analysis of biological sequences. This review explores the application of NLP methods…

计算与语言 · 计算机科学 2025-06-04 Ella Rannon , David Burstein

Processing-using-DRAM (PUD) architectures impose a restrictive data layout and alignment for their operands, where source and destination operands (i) must reside in the same DRAM subarray (i.e., a group of DRAM rows sharing the same row…

硬件体系结构 · 计算机科学 2024-03-08 Geraldo F. Oliveira , Emanuele G. Esposito , Juan Gómez-Luna , Onur Mutlu

Protein language models have excelled in a variety of tasks, ranging from structure prediction to protein engineering. However, proteins are highly diverse in functions and structures, and current state-of-the-art models including the…

生物大分子 · 定量生物学 2023-02-27 Chang Ma , Haiteng Zhao , Lin Zheng , Jiayi Xin , Qintong Li , Lijun Wu , Zhihong Deng , Yang Lu , Qi Liu , Lingpeng Kong

It is well known amongst molecular biologists that proteins with a common ancestor and that perform the same function in similar organisms, can have rather different amino-acid sequences. Mutations have altered the amino-acid sequences…

软凝聚态物质 · 物理学 2009-11-10 Richard P. Sear

Motivation: Human cancer is caused by the accumulation of somatic mutations in tumor suppressors and oncogenes within the genome. In the case of oncogenes, recent theory suggests that there are only a few key "driver" mutations responsible…

基因组学 · 定量生物学 2013-07-16 Gregory Ryslik , Yuwei Cheng , Kei-Hoi Cheung , Yorgo Modis , Hongyu Zhao

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

计算与语言 · 计算机科学 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Genetic information is encoded in a linear sequence of nucleotides, represented by letters ranging from thousands to billions. Mutations refer to changes in the DNA or RNA nucleotide sequence. Thus, mutation detection is vital in all areas…

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

生物大分子 · 定量生物学 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

Protein domains are found on genomes with notable statistical distributions, which bear a high degree of similarity. Previous work has shown how these distributions can be accounted for by simple models, where the main ingredients are…

基因组学 · 定量生物学 2008-07-14 M. Cosentino Lagomarsino , A. L. Sellerio , P. D. Heijning , B. Bassetti

It is a fascinating subject to explore how well we can understand the processes of life on the basis of fundamental laws of physics. It is emphasised that viewing biological processes as manipulation of information extracts their essential…

量子物理 · 物理学 2007-05-23 Apoorva Patel

Motivation: Untargeted metabolomics comprehensively characterizes small molecules and elucidates activities of biochemical pathways within a biological sample. Despite computational advances, interpreting collected measurements and…

定量方法 · 定量生物学 2020-03-10 Ramtin Hosseini , Neda Hassanpour , Li-Ping Liu , Soha Hassoun

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

生物大分子 · 定量生物学 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

A unified theory of language combines a Bayesian cognitive linguistic model of language processing, with the proposal that language evolved by sexual selection for the display of intelligence. The theory accounts for the major facts of…

神经元与认知 · 定量生物学 2025-08-29 Robert Worden

Matching methods are widely used to reduce confounding effects in observational studies, but conventional approaches often treat all covariates as equally important, which can result in poor performance when covariates differ in their…

机器学习 · 统计学 2025-09-01 Hongzhe Zhang , Jiasheng Shi , Jing Huang