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The electronic ground state of a periodic system is usually described in terms of extended Bloch orbitals, but an alternative representation in terms of localized "Wannier functions" was introduced by Gregory Wannier in 1937. The connection…

Materials Science · Physics 2012-11-28 Nicola Marzari , Arash A. Mostofi , Jonathan R. Yates , Ivo Souza , David Vanderbilt

For Paley-Wiener functions on weighted combinatorial finite or infinite graphs we develop a weighted sampling theory in which samples are defined as inner products with weight functions (measuring devices). Three reconstruction methods are…

Functional Analysis · Mathematics 2019-06-11 Isaac Z. Pesenson

We propose a method for designing accurate interpolation formulas on the real axis for the purpose of function approximation in weighted Hardy spaces. In particular, we consider the Hardy space of functions that are analytic in a strip…

Numerical Analysis · Mathematics 2016-06-17 Ken'ichiro Tanaka , Tomoaki Okayama , Masaaki Sugihara

We study an optimal transport problem with a backward martingale constraint in a pseudo-Euclidean space $S$. We show that the dual problem consists in the minimization of the expected values of the Fitzpatrick functions associated with…

Probability · Mathematics 2023-12-11 Dmitry Kramkov , Mihai Sîrbu

We consider mixed-integer quadratic optimization problems with banded matrices and indicator variables. These problems arise pervasively in statistical inference problems with time-series data, where the banded matrix captures the temporal…

Optimization and Control · Mathematics 2024-05-07 Andres Gomez , Shaoning Han , Leonardo Lozano

In this paper we develop optimal algorithms in the binary-forking model for a variety of fundamental problems, including sorting, semisorting, list ranking, tree contraction, range minima, and ordered set union, intersection and difference.…

Data Structures and Algorithms · Computer Science 2020-06-26 Guy E. Blelloch , Jeremy T. Fineman , Yan Gu , Yihan Sun

An optimized Rayleigh-Schr\"{o}dinger expansion scheme of solving the functional Schr\"odinger equation with an external source is proposed to calculate the effective potential beyond the Gaussian approximation. For a scalar field theory…

High Energy Physics - Theory · Physics 2009-11-07 Wen-Fa Lu , Chul Koo Kim , Kyun Nahm

When a matrix has a banded inverse there is a remarkable formula that quickly computes that inverse, using only local information in the original matrix. This local inverse formula holds more generally, for matrices with sparsity patterns…

Numerical Analysis · Mathematics 2016-10-06 Gilbert Strang , Shev MacNamara

We study the problem of maximizing a spectral risk measure of a given output function which depends on several underlying variables, whose individual distributions are known but whose joint distribution is not. We establish and exploit an…

Optimization and Control · Mathematics 2022-11-16 Hamza Ennaji , Quentin Mérigot , Luca Nenna , Brendan Pass

Considering the worst-case scenario, junction tree algorithm remains the most general solution for exact MAP inference with polynomial run-time guarantees. Unfortunately, its main tractability assumption requires the treewidth of a…

Discrete Mathematics · Computer Science 2022-02-10 Alexander Bauer , Shinichi Nakajima

The basic problem of optimal transportation consists in minimizing the expected costs $\mathbb {E}[c(X_1,X_2)]$ by varying the joint distribution $(X_1,X_2)$ where the marginal distributions of the random variables $X_1$ and $X_2$ are…

Probability · Mathematics 2016-08-14 Mathias Beiglböck , Nicolas Juillet

We explore band structures of one-dimensional open systems described by periodic non-Hermitian operators, based on continuum models and tight-binding models. We show that imaginary scalar potentials do not open band gaps but instead lead to…

Quantum Physics · Physics 2025-01-10 Ken Mochizuki , Tomoki Ozawa

Conditional simulation is a fundamental task in statistical modeling: Generate samples from the conditionals given finitely many data points from a joint distribution. One promising approach is to construct conditional Brenier maps, where…

The theory of Bloch electron dynamics for carriers in homogeneous electric and magnetic fields of arbitrary time dependence is developed in the framework of the Liouville equation. The Wigner distribution function (WDF) is determined from…

Mesoscale and Nanoscale Physics · Physics 2026-04-29 G. J. Iafrate , V. N. Sokolov , J. B. Krieger

A robust, user-friendly, and automated method to determine quantum conductance in disordered quasi-one-dimensional systems is presented. The scheme relies upon an initial density- functional theory calculation in a specific geometry after…

Computational Physics · Physics 2015-03-17 Matthew Shelley , Nicolas Poilvert , Arash A Mostofi , Nicola Marzari

Bayesian optimization is a sample-efficient approach to solving global optimization problems. Along with a surrogate model, this approach relies on theoretically motivated value heuristics (acquisition functions) to guide the search…

Machine Learning · Statistics 2017-12-04 James T. Wilson , Riccardo Moriconi , Frank Hutter , Marc Peter Deisenroth

We want to recover the regression function in the single-index model. Using an aggregation algorithm with local polynomial estimators, we answer in particular to the second part of Question~2 from Stone (1982) on the optimal convergence…

Statistics Theory · Mathematics 2007-12-04 Stéphane Gaïffas , Guillaume Lecué

Berry curvature fundamentally dictates the topological ground state, anomalous transport and optical properties of quantum materials. However, directly mapping its momentum-space distribution in real materials remains an outstanding…

Strongly Correlated Electrons · Physics 2026-03-19 Louis Primeau , Qiong Ma , Yang Zhang

We present a proof of Minami type estimates for one dimensional random Schr\"odinger operators valid at all energies in the localization regime provided a Wegner estimate is known to hold. The Minami type estimates are then applied to…

Mathematical Physics · Physics 2012-01-24 Frédéric Klopp

Consider the problem of optimally matching two measures on the circle, or equivalently two periodic measures on the real line, and suppose the cost of matching two points satisfies the Monge condition. We introduce a notion of locally…

Optimization and Control · Mathematics 2010-05-04 Julie Delon , Julien Salomon , Andrei Sobolevskii
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