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Multithermal-Multibaric Molecular Simulations from a Variational Principle

Related publications (36)

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Metropolis-Hastings sampling of paths

Michel Bierlaire, Gunnar Flötteröd

We consider the previously unsolved problem of sampling paths according to a given distribution from a general network. The problem is difficult because of the combinatorial number of alternatives, which prohibits a complete enumeration of all paths and he ...

2011

Metropolis-Hastings sampling of paths

Michel Bierlaire, Gunnar Flötteröd

2011

Metropolis-Hastings sampling of paths

Michel Bierlaire, Gunnar Flötteröd

We consider the previously unsolved problem of sampling cycle-free paths according to a given distribution from a general network. The problem is difficult because of the combinatorial number of alternatives, which prohibits a complete enumeration of all p ...

2011

A Closed-Form Solution for the Uniform Sampling of the Epipolar Line via Non-Uniform Depth Sampling

Engin Tola

Given two camera calibrations, this report presents a closed form algorithm that computes a sequence of 3D points such that they all project to a single location on one camera and that their projection forms a uniformly sampled line on the other camera. ...

2010

Efficient stochastic thermostatting of path integral molecular dynamics

Michele Ceriotti, Michele Parrinello

The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum mechanical structural and thermodynamic properties of condensed phase systems at the expense of introducing an additional set of high frequency normal modes ...

American Institute of Physics2010

Network Design via Core Detouring for Problems Without a Core

Thomas Rothvoss

Some of the currently best-known approximation algorithms for network design are based on random sampling. One of the key steps of such algorithms is connecting a set of source nodes to a random subset of them. In a recent work [Eisenbrand,Grandoni,Rothvo\ ...

Springer2010

A Comparison of Techniques for Sampling Web Pages

Monika Henzinger, Eda Baykan

As the World Wide Web is growing rapidly, it is getting increasingly challenging to gather representative information about it. Instead of crawling the web exhaustively one has to resort to other techniques like sampling to determine the properties of the ...

2009

Almost-Uniform Sampling of Points on High-Dimensional Algebraic Varieties

Mohammad Amin Shokrollahi, Mahdi Cheraghchi Bashi Astaneh

We consider the problem of uniform sampling of points on an algebraic variety. Specifically, we develop a randomized algorithm that, given a small set of multivariate polynomials over a sufficiently large finite field, produces a common zero of the polynom ...

2009

Halton Sampling for Image Registration Based on Mutual Information

Michel Bierlaire, Michaël Unser, Philippe Thévenaz

Mutual information is a widely used similarity measure for aligning multimodal medical images. At its core it relies on the computation of a discrete joint histogram, which itself requires image samples for its estimation. In this paper we study the influe ...

Sampling Publishing2008

Classification-Specific Feature Sampling for Face Recognition

Pascal Frossard, Effrosyni Kokiopoulou

Feature extraction based on different types of signal filters has received a lot of attention in the context of face recognition. It generally results into extremely high dimensional feature vectors, and sampling of the coefficients is required to reduce t ...

2006