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Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…

Statistical Mechanics · Physics 2022-12-19 Jérôme Hénin , Tony Lelièvre , Michael R. Shirts , Omar Valsson , Lucie Delemotte

Counting and sampling directed acyclic graphs from a Markov equivalence class are fundamental tasks in graphical causal analysis. In this paper we show that these tasks can be performed in polynomial time, solving a long-standing open…

Machine Learning · Computer Science 2023-08-22 Marcel Wienöbst , Max Bannach , Maciej Liśkiewicz

We develop exact simulation (also known as perfect sampling) algorithms for a family of assemble-to-order systems. Due to the finite capacity, and coupling in demands and replenishments, known solving techniques are inefficient for larger…

Probability · Mathematics 2014-02-24 Ana Bušić , Emilie Coupechoux

Doubly intractable distributions arise in many settings, for example in Markov models for point processes and exponential random graph models for networks. Bayesian inference for these models is challenging because they involve intractable…

Computation · Statistics 2019-04-03 Jaewoo Park , Murali Haran

We propose a new algorithm to the problem of polygonal curve approximation based on a multiresolution approach. This algorithm is suboptimal but still maintains some optimality between successive levels of resolution using dynamic…

Computer Vision and Pattern Recognition · Computer Science 2007-05-23 Pierre-François Marteau , Gilbas Ménier

Practical optimization problems may contain different kinds of difficulties that are often not tractable if one relies on a particular optimization method. Different optimization approaches offer different strengths that are good at…

Neural and Evolutionary Computing · Computer Science 2024-07-08 Ankur Sinha , Dhaval Pujara , Hemant Kumar Singh

We extend classical methods of computational complexity to the realm of distributed computing, where they sometimes prove more effective than in their original context. Our focus is on decision problems in the LOCAL model, a setting in…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-08 Fabian Reiter

We present new algorithms for computing and approximating bisimulation metrics in Markov Decision Processes (MDPs). Bisimulation metrics are an elegant formalism that capture behavioral equivalence between states and provide strong…

Machine Learning · Computer Science 2019-11-22 Pablo Samuel Castro

We propose a multi-level method to increase the accuracy of machine learning algorithms for approximating observables in scientific computing, particularly those that arise in systems modeled by differential equations. The algorithm relies…

Numerical Analysis · Mathematics 2020-07-06 Kjetil O. Lye , Siddhartha Mishra , Roberto Molinaro

Counting and uniform sampling of directed acyclic graphs (DAGs) from a Markov equivalence class are fundamental tasks in graphical causal analysis. In this paper, we show that these tasks can be performed in polynomial time, solving a…

Machine Learning · Computer Science 2020-12-18 Marcel Wienöbst , Max Bannach , Maciej Liśkiewicz

The most efficient way to calculate strong bisimilarity is by calculation the relational coarsest partition on a transition system. We provide the first linear time algorithm to calculate strong bisimulation using parallel random access…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-26 Jan Martens , Jan Friso Groote , Lars van den Haak , Pieter Hijma , Anton Wijs

We present a new rational approximation algorithm based on the empirical interpolation method for interpolating a family of parametrized functions to rational polynomials with invariant poles, leading to efficient numerical algorithms for…

Numerical Analysis · Mathematics 2025-01-23 Aidi Li , Yuwen Li

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Quantum Physics · Physics 2008-12-17 Ivan Kassal , Stephen P. Jordan , Peter J. Love , Masoud Mohseni , Alán Aspuru-Guzik

The purpose of this note is to survey a methodology to solve systems of polynomial equations and inequalities. The techniques we discuss use the algebra of multivariate polynomials with coefficients over a field to create large-scale linear…

Optimization and Control · Mathematics 2011-12-08 Jesus A. De Loera , Peter N. Malkin , Pablo A. Parrilo

We discuss the parallelization of algorithms for solving polynomial systems symbolically by way of triangular decomposition. Algorithms for solving polynomial systems combine low-level routines for performing arithmetic operations on…

Symbolic Computation · Computer Science 2019-06-04 Mohammadali Asadi , Alexander Brandt , Robert H. C. Moir , Marc Moreno Maza , Yuzhen Xie

This contribution is dedicated to the exploration of exponential operator splitting methods for the time integration of evolution equations. It entails the review of previous achievements as well as the depiction of novel results. The…

Numerical Analysis · Mathematics 2024-10-18 Sergio Blanes , Fernando Casas , Cesareo Gonzalez , Mechthild Thalhammer

Probabilistic inference provides a language for describing how organisms may learn from and adapt to their environment. The computations needed to implement probabilistic inference often require specific representations, akin to having the…

Molecular Networks · Quantitative Biology 2018-06-28 Yarden Katz , Michael Springer , Walter Fontana

Computing the probability of a formula given the probabilities or weights associated with other formulas is a natural extension of logical inference to the probabilistic setting. Surprisingly, this problem has received little attention in…

Artificial Intelligence · Computer Science 2012-03-19 Vibhav Gogate , Pedro Domingos

We consider regular polynomial interpolation algorithms on recursively defined sets of interpolation points which approximate global solutions of arbitrary well-posed systems of linear partial differential equations. Convergence of the…

Numerical Analysis · Mathematics 2008-07-10 Joerg Kampen

In contrast to the usual understanding of probabilistic systems as stochastic processes, recently these systems have also been regarded as transformers of probabilities. In this paper, we give a natural definition of strong bisimulation for…

Logic in Computer Science · Computer Science 2014-05-12 Holger Hermanns , Jan Krčál , Jan Křetínský