Related papers: A note on the capacity estimate in metastability f…
We introduce a novel two-step approach for estimating a probability density function (pdf) given its samples, with the second and important step coming from a geometric formulation. The procedure involves obtaining an initial estimate of…
The superposition of atomic potentials (SAP) approach has recently been shown to be a simple and efficient way to initialize electronic structure calculations [S. Lehtola, J. Chem. Theory Comput. 15, 1593 (2019)]. Here, we study the…
A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…
We present an exact treatment of the thermodynamics of physical systems in the framework of the generalized uncertainty principle (GUP). Our purpose is to study and compare the consequences of two GUPs that one implies a minimal length…
With a simple generic approach, we develop a classification that encodes and measures the strength of completeness (or compactness) properties in various types of spaces and ordered structures. The approach also allows us to encode notions…
We propose a unified framework for establishing existence of nonparametric M-estimators, computing the corresponding estimates, and proving their strong consistency when the class of functions is exceptionally rich. In particular, the…
We study a capacity theory based on a definition of Haj{\l} asz-Besov functions. We prove several properties of this capacity in the general setting of a metric space equipped with a doubling measure. The main results of the paper are lower…
We present a computational framework for analyzing and quantifying system flexibility. Our framework incorporates new features that include: general uncertainty characterizations that are constructed using composition of sets, procedures…
We study Tao's finitary viewpoint of convergence in metric spaces, as captured by the notion of metastability. We adopt the perspective of continuous model theory. We show that, in essence, metastable convergence with a given rate is the…
In this paper, we investigate capacity preserving transformations and their ergodicity. We show that for any measurable transformation $\theta$ there always exists a $\theta$-invariant capacity. We investigate some limit properties under…
This study addresses the challenge of accurately identifying multi-task contention types in high-dimensional system environments and proposes a unified contention classification framework that integrates representation transformation,…
We prove a new, efficient version of the hypergraph container theorems that is suited for hypergraphs with large uniformities. The main novelty is a refined approach to constructing containers that employs simple ideas from high-dimensional…
When a random field $(X_t, \ t\in {\mathbb R}^2)$ is thresholded on a given level $u$, the excursion set is given by its indicator $~1_{[u, \infty)}(X_t)$. The purpose of this work is to study functionals (as established in stochastic…
We study the conformal capacity ${\rm cap}(\Omega,K)$ where $\Omega$ is a bounded domain of $\mathbb{R}^2$ and $K$ is a compact connected set in $\Omega$. Because the exact numerical value of the capacity is known only in a handful of…
We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…
Inexpensive machine learning potentials are increasingly being used to speed up structural optimization and molecular dynamics simulations of materials by iteratively predicting and applying interatomic forces. In these settings, it is…
The concept of measurability of functions on a charge space is generalised for functions taking values in a uniform space. Several existing forms of measurability generalise naturally in this context, and new forms of measurability are…
We propose a new framework for imposing monotonicity constraints in a Bayesian nonparametric setting based on numerical solutions of stochastic differential equations. We derive a nonparametric model of monotonic functions that allows for…
Parametricity is a key metatheoretic property of type systems, which implies strong uniformity & modularity properties of the structure of types within systems possessing it. In recent years, various systems of dependent type theory have…
Calculating liquid energy and heat capacity in general form is an open problem in condensed matter physics. We develop a recent approach to liquids from the solid state by accounting for the contribution of anharmonicity and thermal…