Related papers: A differential cluster variation method for analys…
Deep learning approaches process data in a layer-by-layer way with intermediate (or latent) features. We aim at designing a general solution to optimize the latent manifolds to improve the performance on classification, segmentation,…
Using a Langevin description of spinodal decomposition in fluids, we examine domain growth in the diffusive, viscous and inertial regimes. In the framework of this model, numerical results corroborate earlier theoretical predictions based…
Valence excitation spectra are computed for all deep-center silicon-vacancy defect types in 3C, 4H, and 6H silicon carbide (SiC) and comparisons are made with literature photoluminescence measurements. Nuclear geometries surrounding the…
We generalise the non-affine theory of viscoelasticity for use with large, well-sampled systems of arbitrary chemical complexity. Having in mind predictions of mechanical and vibrational properties of amorphous systems with atomistic…
Clustering is a widely used unsupervised learning technique involving an intensive discrete optimization problem. Associative Memory models or AMs are differentiable neural networks defining a recursive dynamical system, which have been…
We develop a technique for probing harmonic measure of the diffusion limited aggregation (DLA) cluster surface with the variable size particle and generate one thousand clusters with 50 million particles using original off-lattice…
A variational method for computing conformational properties of molecules with Lennard-Jones potentials for the monomer-monomer interactions is presented. The approach is tailored to deal with angular degrees of freedom, {\it rotors}, and…
Exploring the vast composition space of multi-component alloys presents a challenging task for both \textit{ab initio} (first principles) and experimental methods due to the time-consuming procedures involved. This ultimately impedes the…
In this work we experimentally study the efficiency of various dynamical decoupling sequences for suppressing decoherence of single as well as multiple quantum coherences on large spin-clusters. The system involves crystallites of a…
Contrast-enhanced magnetic resonance imaging (MRI) is pivotal in the pipeline of brain tumor segmentation and analysis. Gadolinium-based contrast agents, as the most commonly used contrast agents, are expensive and may have potential side…
A general scheme for divisive hierarchical clustering algorithms is proposed. It is made of three main steps : first a splitting procedure for the subdivision of clusters into two subclusters, second a local evaluation of the bipartitions…
Using the gradient discretisation method (GDM), we provide a complete and unified numerical analysis for non-linear variational inequalities (VIs) based on Leray--Lions operators and subject to non-homogeneous Dirichlet and Signorini…
We introduce a variational method for analyzing limit cycle oscillators in $\mathbb{R}^d$ driven by Gaussian noise. This allows us to derive exact stochastic differential equations (SDEs) for the amplitude and phase of the solution, which…
We propose a general variational framework of fair clustering, which integrates an original Kullback-Leibler (KL) fairness term with a large class of clustering objectives, including prototype or graph based. Fundamentally different from…
Dynamic inner principal component analysis (DiPCA) is a powerful method for the analysis of time-dependent multivariate data. DiPCA extracts dynamic latent variables that capture the most dominant temporal trends by solving a large-scale,…
We devise the fast adjoint response algorithm for the gradient of physical measures (long-time-average statistics) of discrete-time hyperbolic chaos with respect to many system parameters. Its cost is independent of the number of…
A new strategy is proposed for building easy to interpret predictive models in the context of a high-dimensional dataset, with a large number of highly correlated explanatory variables. The strategy is based on a first step of variables…
This article introduces a novel methodology that integrates singular value decomposition (SVD) with a shallow linear neural network for forecasting high resolution fluid mechanics data. The method, termed LC-SVD-DLinear, combines a low-cost…
We study the continuous-time structure of the difference-of-convex algorithm (DCA) for smooth DC decompositions with a strongly convex component. In dual coordinates, classical DCA is exactly the full-step explicit Euler discretization of a…
We develop a variational optimization method for crystal analysis in atomic resolution images, which uses information from a 2D synchrosqueezed transform (SST) as input. The synchrosqueezed transform is applied to extract initial…