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We introduce a new computationally efficient and accurate classical density-functional theory for water and apply it to hydration of hard spheres and inert gas atoms. We find good agreement with molecular dynamics simulations for the…

Statistical Mechanics · Physics 2010-01-16 Sahak A. Petrosyan , David Roundy , Jean-Francois Briere , Tomas A. Arias

The mean flux theorems are proved for solutions of the Helmholtz equation and its modified version. Also, their converses are considered along with some other properties which generalise those that guarantee harmonicity.

Analysis of PDEs · Mathematics 2020-04-08 Nikolay Kuznetsov

I show that the general implicit-function problem (or parametrized fixed-point problem) in one complex variable has an explicit series solution given by a trivial generalization of the Lagrange inversion formula. I give versions of this…

Complex Variables · Mathematics 2009-11-16 Alan D. Sokal

A unified formulation of the density functional theory is constructed on the foundations of entropic inference in both the classical and the quantum regimes. The theory is introduced as an application of entropic inference for inhomogeneous…

Statistical Mechanics · Physics 2021-12-20 Ahmad Yousefi

Transferability estimation identifies the best pre-trained models for downstream tasks without incurring the high computational cost of full fine-tuning. This capability facilitates deployment and advances the pre-training and fine-tuning…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Yaoyan Zheng , Huiqun Wang , Nan Zhou , Di Huang

Temporal stream logic (TSL) extends LTL with updates and predicates over arbitrary function terms. This allows for specifying data-intensive systems for which LTL is not expressive enough. In the semantics of TSL, functions and predicates…

Logic in Computer Science · Computer Science 2022-01-26 Bernd Finkbeiner , Philippe Heim , Noemi Passing

We discuss the advantages of using the approximate quantum Fourier transform (AQFT) in algorithms which involve periodicity estimations. We analyse quantum networks performing AQFT in the presence of decoherence and show that extensive…

Quantum Physics · Physics 2009-10-30 Adriano Barenco , Artur Ekert , Kalle-Antti Suominen , Päivi Törmä

Graphs are ubiquitous and ever-present data structures that have a wide range of applications involving social networks, knowledge bases and biological interactions. The evolution of a graph in such scenarios can yield important insights…

Data Structures and Algorithms · Computer Science 2019-02-15 Lefteris Zervakis , Vinay Setty , Christos Tryfonopoulos , Katja Hose

We present a pedagogical introduction to the current state of quantum computing algorithms for the simulation of classical fluids. Different strategies, along with their potential merits and liabilities, are discussed and commented on.

Computational Physics · Physics 2023-07-12 Sauro Succi , Wael Itani , Katepalli Sreenivasan , René Steijl

This paper presents sufficient graph-theoretic conditions for injectivity of collections of differentiable functions on rectangular subsets of R^n. The results have implications for the possibility of multiple fixed points of maps and…

Functional Analysis · Mathematics 2010-04-30 Murad Banaji

Models on logarithmic lattices have recently been proposed as an alternative approach to the study of multi-scale nonlinear physics. Here, we introduce LogLatt, an efficient MATLAB library for the calculus between functions on…

Computational Physics · Physics 2022-05-18 Ciro S. Campolina

We present a generalized integral fluctuation theorem (GIFT) for general diffusion processes using the Feynman-Kac and Cameron-Martin-Girsanov formulas. Existing IFTs can be thought of to be its specific cases. We interpret the origin of…

Statistical Mechanics · Physics 2015-05-13 Fei Liu , Zhong-can Ou-Yang

In this paper, we investigate the embeddings for topological flows. We prove an embedding theorem for discrete topological system. Our results apply to suspension flows via constant function, and for this case we show an embedding theorem…

Dynamical Systems · Mathematics 2020-11-11 Ruxi Shi

Main purposes of the paper are followings: 1) To show examples of the calculations in domain of QFT via ``derivative rules'' of an expert system; 2) To consider advantages and disadvantage that technology of the calculations; 3) To reflect…

Artificial Intelligence · Computer Science 2007-05-23 Andrea Severe

A new $\theta$ function primitive is proposed that almost achieves the combined efficiency of the addition, multiplication and successor growth operations. This $\theta$ function symbol enables the constructing of an "IQFS(PA+)" axiom…

Logic · Mathematics 2017-10-16 Dan E. Willard

We consider arbitrarily long, but finite utility streams, and some appropriate axioms.

Logic · Mathematics 2007-09-04 Karl Schlechta

In the theory of programming languages, type inference is the process of inferring the type of an expression automatically, often making use of information from the context in which the expression appears. Such mechanisms turn out to be…

Logic in Computer Science · Computer Science 2012-05-10 Jeremy Avigad

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems.…

Soft Condensed Matter · Physics 2020-12-29 Michael te Vrugt , Hartmut Löwen , Raphael Wittkowski

Counterfactual inference considers a hypothetical intervention in a parallel world that shares some evidence with the factual world. If the evidence specifies a conditional distribution on a manifold, counterfactuals may be analytically…

Machine Learning · Statistics 2024-07-03 Juha Karvanen , Santtu Tikka , Matti Vihola

We present an algorithm for computing a holonomic system for a definite integral of a holonomic function over a domain defined by polynomial inequalities. If the integrand satisfies a holonomic difference-differential system including…

Symbolic Computation · Computer Science 2016-04-05 Toshinori Oaku