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Machine learning techniques are steadily becoming more important in modern biology, and are used to build predictive models, discover patterns, and investigate biological problems. However, models trained on one dataset are often not…

Quantitative Methods · Quantitative Biology 2024-05-30 Seyedmehdi Orouji , Martin C. Liu , Tal Korem , Megan A. K. Peters

In the protein sequence space, natural proteins form clusters of families which are characterized by their unique native folds whereas the great majority of random polypeptides are neither clustered nor foldable to unique structures. Since…

Biomolecules · Quantitative Biology 2018-02-06 Akira R. Kinjo

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

Modern biomedicine is challenged to predict the effects of genetic variation. Systematic functional assays of point mutants of proteins have provided valuable empirical information, but vast regions of sequence space remain unexplored.…

Biomolecules · Quantitative Biology 2017-01-18 Thomas A. Hopf , John B. Ingraham , Frank J. Poelwijk , Michael Springer , Chris Sander , Debora S. Marks

Domain generalization aims at performing well on unseen test environments with data from a limited number of training environments. Despite a proliferation of proposal algorithms for this task, assessing their performance both theoretically…

Machine Learning · Computer Science 2021-11-24 Yining Chen , Elan Rosenfeld , Mark Sellke , Tengyu Ma , Andrej Risteski

Molecular phenotypes are important links between genomic information and organismic functions, fitness, and evolution. Complex phenotypes, which are also called quantitative traits, often depend on multiple genomic loci. Their evolution…

Populations and Evolution · Quantitative Biology 2015-06-12 Armita Nourmohammad , Stephan Schiffels , Michael Laessig

Machine learning models rely on various assumptions to attain high accuracy. One of the preliminary assumptions of these models is the independent and identical distribution, which suggests that the train and test data are sampled from the…

Machine Learning · Computer Science 2022-11-08 Paras Sheth , Raha Moraffah , K. Selçuk Candan , Adrienne Raglin , Huan Liu

Biological cells replicate their genomes in a well-planned manner. The DNA replication program of an organism determines the timing at which different genomic regions are replicated, with fundamental consequences for cell homeostasis and…

Subcellular Processes · Quantitative Biology 2024-05-28 Florian Pflug , Deepak Bhat , Simone Pigolotti

Estimation of density functions supported on general domains arises when the data is naturally restricted to a proper subset of the real space. This problem is complicated by typically intractable normalizing constants. Score matching…

Methodology · Statistics 2020-09-25 Shiqing Yu , Mathias Drton , Ali Shojaie

Researchers have been facing a difficult problem that data generation mechanisms could be influenced by internal or external factors leading to the training and test data with quite different distributions, consequently traditional…

Machine Learning · Statistics 2021-10-14 Anqi Wu

Humans have the ability to accumulate knowledge of new tasks in varying conditions, but deep neural networks often suffer from catastrophic forgetting of previously learned knowledge after learning a new task. Many recent methods focus on…

Link prediction, a foundational task in complex network analysis, has extensive applications in critical scenarios such as social recommendation, drug target discovery, and knowledge graph completion. However, existing evaluations of…

Other Statistics · Statistics 2025-12-30 Yilin Bi , Junhao Bian , Shuyan Wan , Shuaijia Wang , Tao Zhou

In this paper, we consider the problem of testing properties of joint distributions under the Conditional Sampling framework. In the standard sampling model, the sample complexity of testing properties of joint distributions is exponential…

Computational Complexity · Computer Science 2022-08-03 Rishiraj Bhattacharyya , Sourav Chakraborty

Genomic data sets are growing dramatically as the cost of sequencing continues to decline and small sequencing devices become available. Enormous community databases store and share this data with the research community, but some of these…

Duplication graphs are graphs that grow by duplication of existing vertices, and are important models of biological networks, including protein-protein interaction networks and gene regulatory networks. Three models of graph growth are…

Statistical Mechanics · Physics 2009-11-10 Alpan Raval

Introduction: While the origin and evolution of proteins remain mysterious, advances in evolutionary genomics and systems biology are facilitating the historical exploration of the structure, function and organization of proteins and…

Quantitative Methods · Quantitative Biology 2026-02-20 Gustavo Caetano-Anollés , M. Fayez Aziz , Fizza Mughal , Derek Caetano-Anollés

We study the prevalent problem when a test distribution differs from the training distribution. We consider a setting where our training set consists of a small number of sample domains, but where we have many samples in each domain. Our…

Machine Learning · Computer Science 2011-05-05 Dean Foster , Sham Kakade , Ruslan Salakhutdinov

We used statistical thermodynamics of conformational fluctuations and the elements of algebraic graph theory together with data from 2000 protein crystal structures, and showed that folded native proteins with harmonic interactions exhibit…

Biomolecules · Quantitative Biology 2015-09-03 Burak Erman

Though convolutional neural networks (CNNs) have demonstrated remarkable ability in learning discriminative features, they often generalize poorly to unseen domains. Domain generalization aims to address this problem by learning from a set…

Computer Vision and Pattern Recognition · Computer Science 2021-04-06 Kaiyang Zhou , Yongxin Yang , Yu Qiao , Tao Xiang

The codons, sixtyfour in number, are distributed over the coding parts of DNA sequences. The distribution function is the plot of frequency-versus-rank of the codons. These distributions are characterised by parameters that are almost…

Biological Physics · Physics 2009-11-07 A. Som , S. Chattopadhyay , J. Chakrabarti , D. Bandyopadhyay
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