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Computing properties of molecular systems rely on estimating expectations of the (unnormalized) Boltzmann distribution. Molecular dynamics (MD) is a broadly adopted technique to approximate such quantities. However, stable simulations rely…

Chemical Physics · Physics 2023-10-31 Mathias Schreiner , Ole Winther , Simon Olsson

Suppose the observations of Lagrangian trajectories for fluid flow in some physical situation can be modelled sufficiently accurately by a spatially correlated It\^o stochastic process (with zero mean) obtained from data which is taken in…

Fluid Dynamics · Physics 2021-03-17 Darryl D. Holm

Achieving the full promise of the Thermodynamic Variational Objective (TVO), a recently proposed variational lower bound on the log evidence involving a one-dimensional Riemann integral approximation, requires choosing a "schedule" of…

Machine Learning · Computer Science 2020-11-24 Vu Nguyen , Vaden Masrani , Rob Brekelmans , Michael A. Osborne , Frank Wood

Accurate prediction of thermodynamic properties is essential in drug discovery and materials science. Molecular dynamics (MD) simulations provide a principled approach to this task, yet they typically rely on prohibitively long sequential…

Chemical Physics · Physics 2025-04-03 Juan Viguera Diez , Mathias Schreiner , Ola Engkvist , Simon Olsson

We calculate next-to-leading-order (NLO) corrections to exclusive processes in $k_T$ factorization theorem, taking $\pi\gamma^*\to\gamma$ as an example. Partons off-shell by $k_T^2$ are considered in both the quark diagrams from full QCD…

High Energy Physics - Phenomenology · Physics 2008-11-26 Soumitra Nandi , Hsiang-nan Li

We present a numerical algorithm for evaluating the Boltzmann collision operator with $O(N^2)$ operations based on high order discontinuous Galerkin discretizations in the velocity variable. To formulate the approach, Galerkin projection of…

Numerical Analysis · Mathematics 2018-01-19 Alexander Alekseenko , Jeffrey Limbacher

We derive an Ito-formula for the Dawson-Watanabe superprocess, a well-known class of measure-valued processes, extending the classical Ito-formula with respect to two aspects. Firstly, we extend the state-space of the underlying process…

Probability · Mathematics 2020-10-07 Christian Mandler , Ludger Overbeck

We develop a nonanticipative calculus for functionals of a continuous semimartingale, using an extension of the Ito formula to path-dependent functionals which possess certain directional derivatives. The construction is based on a pathwise…

Probability · Mathematics 2013-02-05 Rama Cont , David-Antoine Fournié

In this paper, we introduce the cubature formula for Stochastic Volterra Integral Equations. We first derive the stochastic Taylor expansion in this setting, by utilizing a functional It\^{o} formula, and provide its tail estimates. We then…

Probability · Mathematics 2023-07-07 Qi Feng , Jianfeng Zhang

We study Volterra processes $X_t = \int_0^t K(t,s) dW_s$, where $W$ is a standard Wiener process, and the kernel has the form $K(t,s) = a(s) \int_s^t b(u) c(u-s) du$. This form generalizes the Volterra kernel for fractional Brownian motion…

Probability · Mathematics 2020-04-07 Yuliya Mishura , Georgiy Shevchenko , Sergiy Shklyar

In this paper, we consider an inference problem for an Ornstein-Uhlenbeck process driven by a general one-dimensional centered Gaussian process $(G_t)_{t\ge 0}$. The second order mixed partial derivative of the covariance function $ R(t,\,…

Probability · Mathematics 2020-02-25 Yong Chen , Hongjuan Zhou

Ito equations are derived for simple stochastic cellular automaton with parameters and compared with results obtained from the histogram method. Good agreement for various parameters supports wide applicability of the Ito equation as a…

Cellular Automata and Lattice Gases · Physics 2012-04-18 Zbigniew Czechowski , Mariusz Białecki

The motivation of this paper is to prove verification theorems for stochastic optimal control of finite dimensional diffusion processes without control in the diffusion term, in the case that the value function is assumed to be continuous…

Probability · Mathematics 2007-05-23 Fausto Gozzi , Francesco Russo

We consider a method for the approximation of iterated stochastic integrals of arbitrary multiplicity $k$ $(k\in \mathbb{N})$ with respect to the infinite-dimensional $Q$-Wiener process using the mean-square approximation method of iterated…

General Mathematics · Mathematics 2022-03-15 Dmitriy F. Kuznetsov

In this paper, we consider a general class of stochastic Volterra equations with small noise. Our aim is to study the fluctuation of the solution around its deterministic limit. We use the techniques of Malliavin calculus to show that the…

Probability · Mathematics 2026-04-07 N. T. Dung , N. T. Hang

Stochastic integration with respect to Gaussian processes, such as fractional Brownian motion (fBm) or multifractional Brownian motion (mBm), has raised strong interest in recent years, motivated in particular by applications in finance,…

Probability · Mathematics 2018-02-15 Joachim Lebovits

Chen, Fitzsimmons, Kuwae and Zhang (Ann. Probab. 36 (2008) 931-970) have established an Ito formula consisting in the development of F(u(X)) for a symmetric Markov process X, a function u in the Dirichlet space of X and any…

Statistics Theory · Mathematics 2012-11-26 Alexander Walsh

The paper is devoted to three-parametric self-similar Gaussian Volterra processes that generalize fractional Brownian motion. We study the asymptotic growth of such processes and the properties of long- and short-range dependence. Then we…

Statistics Theory · Mathematics 2023-02-08 Yuliya Mishura , Kostiantyn Ralchenko , Sergiy Shklyar

We propose a novel quasi-Newton method for solving the sparse inverse covariance estimation problem also known as the graphical least absolute shrinkage and selection operator (GLASSO). This problem is often solved using a second-order…

Numerical Analysis · Mathematics 2023-10-18 Gal Shalom , Eran Treister , Irad Yavneh

A natural counterpart to the Lie-Trotter product formula for norm-continuous one-parameter semigroups is proved, for the class of quasicontractive quantum stochastic operator cocycles whose expectation semigroup is norm continuous. Compared…

Functional Analysis · Mathematics 2018-01-18 J. Martin Lindsay