Publications related to Quantifying high-order interdependencies via multivariate extensions of the mutual information

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

Landscapes of DNA Mechanics and Genomes

Thomas Antonin Zwahlen

The local physical properties - such as shape and flexibility - of the DNA double-helix is today widely believed to be influenced by nucleic acid sequence in a non-trivial way. Furthermore, there is strong evidence that these properties play a role in many ...

EPFL2023

2023 Roadmap on molecular modelling of electrochemical energy materials

Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid

New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...

Iop Publishing Ltd2023

Impact of phylogeny on structural contact inference from protein sequence data

Nicola Dietler, Umberto Lupo, Anne-Florence Raphaëlle Bitbol

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 share a common ance ...

ROYAL SOC2023

Statistical limits of dictionary learning: Random matrix theory and the spectral replica method

Nicolas Macris, Jean François Emmanuel Barbier

We consider increasingly complex models of matrix denoising and dictionary learning in the Bayes-optimal setting, in the challenging regime where the matrices to infer have a rank growing linearly with the system size. This is in contrast with most existin ...

AMER PHYSICAL SOC2022

A complete description of thermodynamic stabilities of molecular crystals

Venkat Kapil, Edgar Albert Engel

Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...

National Academy of Sciences2022

Mutual information in changing environments: Nonlinear interactions, out-of-equilibrium systems, and continuously varying diffusivities

Daniel Maria Busiello, Giorgio Nicoletti

Biochemistry, ecology, and neuroscience are examples of prominent fields aiming at describing interacting systems that exhibit nontrivial couplings to complex, ever-changing environments. We have recently shown that linear interactions and a switching envi ...

AMER PHYSICAL SOC2022

Structure-preserving approaches and data-driven closure modeling for model order reduction

Nicolò Ripamonti

In this thesis, we propose model order reduction techniques for high-dimensional PDEs that preserve structures of the original problems and develop a closure modeling framework leveraging the Mori-Zwanzig formalism and recurrent neural networks. Since high ...

EPFL2022

A Functional Perspective on Information Measures

Amedeo Roberto Esposito

Since the birth of Information Theory, researchers have defined and exploited various information measures, as well as endowed them with operational meanings. Some were born as a "solution to a problem", like Shannon's Entropy and Mutual Information. Other ...

EPFL2022

The Gray-Wyner Network and Wyner's Common Information for Gaussian Sources

Michael Christoph Gastpar, Erixhen Sula

This paper presents explicit solutions for two related non-convex information extremization problems due to Gray and Wyner in the Gaussian case. The first problem is the Gray-Wyner network subject to a sum-rate constraint on the two private links. Here, ou ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Conformal Field Theory at the Lattice Level: Discrete Complex Analysis and Virasoro Structure

Clément Hongler

Critical statistical mechanics and Conformal Field Theory (CFT) are conjecturally connected since the seminal work of Beliavin et al. (Nucl Phys B 241(2):333-380, 1984). Both exhibit exactly solvable structures in two dimensions. A long-standing question ( ...

SPRINGER2022

Lower-bounds on the Bayesian Risk in Estimation Procedures via f–Divergences

Michael Christoph Gastpar, Adrien Vandenbroucque, Amedeo Roberto Esposito

We consider the problem of parameter estimation in a Bayesian setting and propose a general lower-bound that includes part of the family of f-Divergences. The results are then applied to specific settings of interest and compared to other notable results i ...

2022

Timing is Everything

Karen Adam

In this thesis, timing is everything. In the first part, we mean this literally, as we tackle systems that encode information using timing alone. In the second part, we adopt the standard, metaphoric interpretation of this saying and show the importance of ...

EPFL2022

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Correlations from structure and phylogeny combine constructively in the inference of protein partners from sequences

Nicola Dietler, Anne-Florence Raphaëlle Bitbol, Andonis Samuel Rene Gerardos

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two protein families ...

Public Library Science2022

Atomic subgraphs and the statistical mechanics of networks

Sofia Charlotta Olhede

We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges, but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows for the generation of graphs with extens ...

2021

Mutual Information Disentangles Interactions from Changing Environments

Daniel Maria Busiello, Giorgio Nicoletti

Real-world systems are characterized by complex interactions of their internal degrees of freedom, while living in ever-changing environments whose net effect is to act as additional couplings. Here, we introduce a paradigmatic interacting model in a switc ...

AMER PHYSICAL SOC2021

Statistical limits of high-dimensional inference problems

Clément Dominique Luneau

This thesis focuses on two kinds of statistical inference problems in signal processing and data science. The first problem is the estimation of a structured informative tensor from the observation of a noisy tensor in which it is buried. The structure com ...

EPFL2021

Generalization Error Bounds Via Rényi-, f-Divergences and Maximal Leakage

Michael Christoph Gastpar, Ibrahim Issa, Amedeo Roberto Esposito

In this work, the probability of an event under some joint distribution is bounded by measuring it with the product of the marginals instead (which is typically easier to analyze) together with a measure of the dependence between the two random variables. ...

2021

Mutual information for low-rank even-order symmetric tensor estimation

Nicolas Macris, Jean François Emmanuel Barbier, Clément Dominique Luneau

We consider a statistical model for finite-rank symmetric tensor factorization and prove a single-letter variational expression for its asymptotic mutual information when the tensor is of even order. The proof applies the adaptive interpolation method orig ...

OXFORD UNIV PRESS2021