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Potts statistical models have become a popular and promising way to analyze mutational covariation in protein Multiple Sequence Alignments (MSAs) in order to understand protein structure, function and fitness. But the statistical…

Quantitative Methods · Quantitative Biology 2019-03-13 Allan Haldane , Ronald M. Levy

Recent generative learning models applied to protein multiple sequence alignment (MSA) datasets include simple and interpretable physics-based Potts covariation models and other machine learning models such as MSA-Transformer (MSA-T). The…

Biological Physics · Physics 2025-10-28 Kisan Khatri , Ronald M. Levy , Allan Haldane

Several recent experiments in biology study systems composed of several interacting elements, for example neuron networks. Normally, measurements describe only the collective behavior of the system, even if in most cases we would like to…

Disordered Systems and Neural Networks · Physics 2010-10-12 Vitor Sessak

Local and global inference methods have been developed to infer structural contacts from multiple sequence alignments of homologous proteins. They rely on correlations in amino-acid usage at contacting sites. Because homologous proteins…

Biomolecules · Quantitative Biology 2024-12-30 Nicola Dietler , Umberto Lupo , Anne-Florence Bitbol

Ising and Potts models are an important class of discrete probability distributions which originated from statistical physics and since then have found applications in several disciplines. Simulation from these models is a well known…

Computation · Statistics 2026-03-17 Charles C. Margossian , Chenyang Zhong , Sumit Mukherjee

This version is ***superseded*** by a full version that can be found at http://www.itu.dk/people/pagh/papers/mining-jour.pdf, which contains stronger theoretical results and fixes a mistake in the reporting of experiments. Abstract:…

Data Structures and Algorithms · Computer Science 2010-02-17 Andrea Campagna , Rasmus Pagh

Many learning problems require predicting sets of objects when the number of objects is not known beforehand. Examples include object detection, molecular modeling, and scientific inference tasks such as astrophysical source detection.…

Machine Learning · Computer Science 2026-01-30 Tin Hadži Veljković , Erik Bekkers , Michael Tiemann , Jan-Willem van de Meent

We demonstrate, by means of a convolutional neural network, that the features learned in the two-dimensional Ising model are sufficiently universal to predict the structure of symmetry-breaking phase transitions in considered systems…

Statistical Mechanics · Physics 2020-11-25 Dimitrios Bachtis , Gert Aarts , Biagio Lucini

This paper presents a conformal prediction method for classification in highly imbalanced and open-set settings, where there are many possible classes and not all may be represented in the data. Existing approaches require a finite, known…

Machine Learning · Statistics 2025-10-16 Tianmin Xie , Yanfei Zhou , Ziyi Liang , Stefano Favaro , Matteo Sesia

Complex applications such as big data analytics involve different forms of coupling relationships that reflect interactions between factors related to technical, business (domain-specific) and environmental (including socio-cultural and…

Machine Learning · Computer Science 2020-07-28 Longbing Cao

Determining which proteins interact together is crucial to a systems-level understanding of the cell. Recently, algorithms based on Direct Coupling Analysis (DCA) pairwise maximum-entropy models have allowed to identify interaction partners…

Biomolecules · Quantitative Biology 2020-03-25 Guillaume Marmier , Martin Weigt , Anne-Florence Bitbol

Potts models, which can be used to analyze dependent observations on a lattice, have seen widespread application in a variety of areas, including statistical mechanics, neuroscience, and quantum computing. To address the intractability of…

Computation · Statistics 2021-10-15 Anirban Chakraborty , Matthias Katzfuss , Joseph Guinness

Statisticians increasingly face the problem to reconsider the adaptability of classical inference techniques. In particular, divers types of high-dimensional data structures are observed in various research areas; disclosing the boundaries…

Statistics Theory · Mathematics 2017-06-09 Paavo Sattler , Markus Pauly

Mean field (MF) approximation offers a simple, fast way to infer direct interactions between elements in a network of correlated variables, a common, computationally challenging problem with practical applications in fields ranging from…

Quantitative Methods · Quantitative Biology 2014-11-11 J. P. Barton , S. Cocco , E. De Leonardis , R. Monasson

The analysis of coevolution of residues in homologous proteins is a powerful tool to predict their native conformation. The standard framework in which coevolutionary analysis is usually worked out is that of equilibrium Potts models,…

Biomolecules · Quantitative Biology 2020-02-11 D. Oriani , M. Cagiada , G. Tiana

A powerful existing technique for evaluating statistical mechanical quantities in two-dimensional Ising models is based on constructing a matrix representing the nearest neighbor spin couplings and then evaluating the Pfaffian of the…

Disordered Systems and Neural Networks · Physics 2013-04-16 Creighton K. Thomas , A. Alan Middleton

Predicting protein-protein interactions from sequences is an important goal of computational biology. Various sources of information can be used to this end. Starting from the sequences of two interacting protein families, one can use…

Biomolecules · Quantitative Biology 2023-04-26 Carlos A. Gandarilla-Perez , Sergio Pinilla , Anne-Florence Bitbol , Martin Weigt

Inverse problems in statistical physics are motivated by the challenges of `big data' in different fields, in particular high-throughput experiments in biology. In inverse problems, the usual procedure of statistical physics needs to be…

Disordered Systems and Neural Networks · Physics 2017-11-07 H. Chau Nguyen , Riccardo Zecchina , Johannes Berg

Unsupervised learning makes manifest the underlying structure of data without curated training and specific problem definitions. However, the inference of relationships between data points is frustrated by the `curse of dimensionality' in…

In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our…

Quantitative Methods · Quantitative Biology 2014-04-07 Carlo Baldassi , Marco Zamparo , Christoph Feinauer , Andrea Procaccini , Riccardo Zecchina , Martin Weigt , Andrea Pagnani