Lecture

Protein Residue Coevolution Analysis

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In course

PHYS-754: Lecture series on scientific machine learning

This lecture presents ongoing work on how scientific questions can be tackled using machine learning. Machine learning enables extracting knowledge from data computationally and in an automatized way. We will learn on examples how this is influencing the v ...

Description

This lecture explores the direct-coupling analysis of residue coevolution in protein families, aiming to capture native contacts. It covers the methodology, including input data, evolutionary constraints, and the disentanglement of direct and indirect correlations. The lecture also discusses the performance of the analysis in predicting spatial proximity and protein interactions.

Instructors (10)

Anne-Florence Raphaëlle Bitbol

I was trained in physics, and always had a strong interest in biology. I am broadly interested in understanding biological phenomena in a quantitative way, through physical concepts and mathematical and computational tools. I investigate the relative impacts of optimization and historical contingency in biological evolution, both at the scale of protein sequences and at the scale of microbial populations.Here is my research group website.Curriculum vitae Here is my complete CV. Professional experience:Since

Alexander Mathis

Alexander studied pure mathematics with a minor in logic and theory of science at the Ludwig Maximilians University in Munich. For his PhD also at LMU, he worked on optimal coding approaches to elucidate the properties of grid cells. As a postdoctoral fellow with Prof. Venkatesh N. Murthy at Harvard University and Prof. Matthias Bethge at Tuebingen AI, he decided to study olfactory behaviors such as odor-guided navigation, social behaviors and the cocktail party problem in mice. During this time, he increasingly got interested sensorimotor behaviors beyond olfaction and started working on proprioception, motor adaption, as well as computer vision tools for measuring animal behavior. In his group, he is interested in elucidating how the brain gives rise to adaptive behavior. One of the major goals is to synthesize large datasets into computationally useful information. For those purposes, he develops algorithms and systems to analyze animal behavior (e.g. DeepLabCut), neural data, as well as creates experimentally testable computational models.

Giuseppe Carleo

Giuseppe Carleo is a computational quantum physicist, whose main focus is the development of advanced numerical algorithms tostudy challenging problems involving strongly interacting quantum systems.He is best known for the introduction of machine learning techniques to study both equilibrium and dynamical properties,based on a neural-network representations of quantum states, as well for the time-dependent variational Monte Carlo method.He earned a Ph.D. in Condensed Matter Theory from the International School for Advanced Studies (SISSA) in Italy in 2011.He held postdoctoral positions at the Institut d’Optique in France and ETH Zurich in Switzerland, where he alsoserved as a lecturer in computational quantum physics.In 2018, he joined the Flatiron Institute in New York City in 2018 at the Center for Computational Quantum Physics (CCQ), working as a Research Scientist and project leader, and also leading the development of the open-source project NetKet.Since September 2020 he is an assistant professor at EPFL, in Switzerland, leading the Computational Quantum Science Laboratory (CQSL).

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Related concepts (32)

Mutual information

In probability theory and information theory, the mutual information (MI) of two random variables is a measure of the mutual dependence between the two variables. More specifically, it quantifies the "amount of information" (in units such as shannons (bits), nats or hartleys) obtained about one random variable by observing the other random variable. The concept of mutual information is intimately linked to that of entropy of a random variable, a fundamental notion in information theory that quantifies the expected "amount of information" held in a random variable.

Interaction information

The interaction information is a generalization of the mutual information for more than two variables. There are many names for interaction information, including amount of information, information correlation, co-information, and simply mutual information. Interaction information expresses the amount of information (redundancy or synergy) bound up in a set of variables, beyond that which is present in any subset of those variables. Unlike the mutual information, the interaction information can be either positive or negative.

Conditional mutual information

In probability theory, particularly information theory, the conditional mutual information is, in its most basic form, the expected value of the mutual information of two random variables given the value of a third. For random variables , , and with support sets , and , we define the conditional mutual information as This may be written in terms of the expectation operator: . Thus is the expected (with respect to ) Kullback–Leibler divergence from the conditional joint distribution to the product of the conditional marginals and .

Quantum mutual information

In quantum information theory, quantum mutual information, or von Neumann mutual information, after John von Neumann, is a measure of correlation between subsystems of quantum state. It is the quantum mechanical analog of Shannon mutual information. For simplicity, it will be assumed that all objects in the article are finite-dimensional. The definition of quantum mutual entropy is motivated by the classical case.

Variation of information

In probability theory and information theory, the variation of information or shared information distance is a measure of the distance between two clusterings (partitions of elements). It is closely related to mutual information; indeed, it is a simple linear expression involving the mutual information. Unlike the mutual information, however, the variation of information is a true metric, in that it obeys the triangle inequality. Suppose we have two partitions and of a set into disjoint subsets, namely and .

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