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Using the shift-operator technique, a compact formula for the Fourier transform of a product of two Slater-type orbitals located on different atomic centers is derived. The result is valid for arbitrary quantum numbers and was found to be…

Materials Science · Physics 2009-11-13 T. A. Niehaus , R. López , J. F. Rico

An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the…

Chemical Physics · Physics 2017-02-07 Dorothea Golze , Niels Benedikter , Marcella Iannuzzi , Jan Wilhelm , Jürg Hutter

We propose an algorithm to compute the dynamics of articulated rigid-bodies with different sensor distributions. Prior to the on-line computations, the proposed algorithm performs an off-line optimisation step to simplify the computational…

Robotics · Computer Science 2017-05-15 Francesco Nori

An efficient compression technique based on hierarchical tensors for popular option pricing methods is presented. It is shown that the "curse of dimensionality" can be alleviated for the computation of Bermudan option prices with the Monte…

Computational Finance · Quantitative Finance 2021-03-09 Christian Bayer , Martin Eigel , Leon Sallandt , Philipp Trunschke

We design, analyze and test a golden ratio primal-dual algorithm (GRPDA) for solving structured convex optimization problem, where the objective function is the sum of two closed proper convex functions, one of which involves a composition…

Optimization and Control · Mathematics 2021-02-08 Xiaokai Chang , Junfeng Yang

Robust estimation is essential in computer vision, robotics, and navigation, aiming to minimize the impact of outlier measurements for improved accuracy. We present a fast algorithm for Geman-McClure robust estimation, FracGM, leveraging…

Computer Vision and Pattern Recognition · Computer Science 2024-11-22 Bang-Shien Chen , Yu-Kai Lin , Jian-Yu Chen , Chih-Wei Huang , Jann-Long Chern , Ching-Cherng Sun

We present a semi-static hedging algorithm for callable interest rate derivatives under an affine, multi-factor term-structure model. With a traditional dynamic hedge, the replication portfolio needs to be updated continuously through time…

Computational Finance · Quantitative Finance 2022-02-03 Jori Hoencamp , Shashi Jain , Drona Kandhai

We present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane-wave representation of the Gaussian kernel and a new…

Numerical Analysis · Mathematics 2023-05-15 Leslie Greengard , Shidong Jiang , Manas Rachh , Jun Wang

The Bayesian transformed Gaussian process (BTG) model, proposed by Kedem and Oliviera, is a fully Bayesian counterpart to the warped Gaussian process (WGP) and marginalizes out a joint prior over input warping and kernel hyperparameters.…

Machine Learning · Computer Science 2022-10-21 Xinran Zhu , Leo Huang , Cameron Ibrahim , Eric Hans Lee , David Bindel

This paper proposes a hybrid Gaussian process (GP) approach to robust economic model predictive control under unknown future disturbances in order to reduce the conservatism of the controller. The proposed hybrid GP is a combination of two…

Systems and Control · Electrical Eng. & Systems 2020-01-08 Mohammadreza Rostam , Ryozo Nagamune , Vladimir Grebenyuk

Within a Markovian complete financial market, we consider the problem of hedging a Bermudan option with a given probability. Using stochastic target and duality arguments, we derive a backward numerical scheme for the Fenchel transform of…

Probability · Mathematics 2016-02-11 Bruno Bouchard , Jean-François Chassagneux , Géraldine Bouveret

We present an efficient algorithm for computing the exact exchange contributions in the Hartree-Fock and hybrid density functional theory models on the basis of the fast multipole method (FMM). Our algorithm is based on the observation that…

Chemical Physics · Physics 2018-01-30 Hai-Anh Le , Toru Shiozaki

In this work, we study several variants of matrix reduction via Gaussian elimination that try to keep the reduced matrix sparse. The motivation comes from the growing field of topological data analysis where matrix reduction is the major…

Computational Geometry · Computer Science 2024-06-14 Ulrich Bauer , Talha Bin Masood , Barbara Giunti , Guillaume Houry , Michael Kerber , Abhishek Rathod

We present and investigate a new type of implicit fractional linear multistep method of order two for fractional initial value problems. The method is obtained from the second order super convergence of the Gr\"unwald-Letnikov approximation…

Numerical Analysis · Mathematics 2022-01-25 H. M. Nasir , Khadija Al Hasani

The Moran process on graphs is a popular model to study the dynamics of evolution in a spatially structured population. Exact analytical solutions for the fixation probability and time of a new mutant have been found for only a few classes…

Populations and Evolution · Quantitative Biology 2016-11-14 Laura Hindersin , Marius Möller , Arne Traulsen , Benedikt Bauer

We introduce a simulation scheme for Brownian semistationary processes, which is based on discretizing the stochastic integral representation of the process in the time domain. We assume that the kernel function of the process is regularly…

Probability · Mathematics 2018-09-24 Mikkel Bennedsen , Asger Lunde , Mikko S. Pakkanen

The fluctuation exchange (FLEX) approximation is applied to study the Holstein-Hubbard model. Due to the retarded nature of the phonon-mediated electron-electron interaction, neither fast Fourier transform (FFT) nor previously developed NRG…

Strongly Correlated Electrons · Physics 2009-10-31 C. -H. Pao , H. -B. Schuttler

We present a new numerical method to price vanilla options quickly in time-changed Brownian motion models. The method is based on rational function approximations of the Black-Scholes formula. Detailed numerical results are given for a…

Computational Finance · Quantitative Finance 2012-04-02 Martijn Pistorius , Johannes Stolte

We develop a mixed least squares Monte Carlo-partial differential equation (LSMC-PDE) method for pricing Bermudan style options on assets whose volatility is stochastic. The algorithm is formulated for an arbitrary number of assets and…

Computational Finance · Quantitative Finance 2020-06-02 David Farahany , Kenneth Jackson , Sebastian Jaimungal

We present enhancements to the computational efficiency of exact exchange calculations using the density matrix and local support functions. We introduce a numerical method which avoids the explicit calculation the four-center two-electron…

Chemical Physics · Physics 2016-11-25 Lionel A. Truflandier , Tsuyoshi Miyazaki , David R. Bowler