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We introduce collapsed compilation, a novel approximate inference algorithm for discrete probabilistic graphical models. It is a collapsed sampling algorithm that incrementally selects which variable to sample next based on the partial…

人工智能 · 计算机科学 2018-06-01 Tal Friedman , Guy Van den Broeck

We present an algorithm for finding the probabilities of rare events in nonequilibrium processes. The algorithm consists of evolving the system with a modified dynamics for which the required event occurs more frequently. By keeping track…

统计力学 · 物理学 2011-04-07 Anupam Kundu , Sanjib Sabhapandit , Abhishek Dhar

Recent advances in representation learning reveal that widely used objectives, such as contrastive and non-contrastive, implicitly perform spectral decomposition of a contextual kernel, induced by the relationship between inputs and their…

机器学习 · 计算机科学 2025-10-29 Burak Varıcı , Che-Ping Tsai , Ritabrata Ray , Nicholas M. Boffi , Pradeep Ravikumar

In the field of computational physics and material science, the efficient sampling of rare events occurring at atomic scale is crucial. It aids in understanding mechanisms behind a wide range of important phenomena, including protein…

机器学习 · 计算机科学 2024-01-17 Xinru Hua , Rasool Ahmad , Jose Blanchet , Wei Cai

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

量子物理 · 物理学 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…

计算工程、金融与科学 · 计算机科学 2022-06-22 Ludmila Urzhumtseva , Vladimir Y. Lunin , Alexandre Urzhumtsev

We propose the notion of $E_{2}$-quasi-exact solvability and apply this idea to find explicit solutions to the eigenvalue problem for a non-Hermitian Hamiltonian system depending on two parameters. The model considered reduces to the…

量子物理 · 物理学 2015-05-18 Andreas Fring

We develop and analyze stochastic inexact Gauss-Newton methods for nonlinear least-squares problems and for nonlinear systems ofequations. Random models are formed using suitable sampling strategies for the matrices involved in the…

最优化与控制 · 数学 2024-12-10 Stefania Bellavia , Greta Malaspina , Benedetta Morini

The eigenvalue density of a matrix plays an important role in various types of scientific computing such as electronic-structure calculations. In this paper, we propose a quantum algorithm for computing the eigenvalue density in a given…

量子物理 · 物理学 2021-12-13 Yasunori Futamura , Xiucai Ye , Tetsuya Sakurai

Driven by applications in telecommunication networks, we explore the simulation task of estimating rare event probabilities for tandem queues in their steady state. Existing literature has recognized that importance sampling methods can be…

机器学习 · 计算机科学 2025-04-22 Ruoning Zhao , Xinyun Chen

We consider a generalization of the discrete-time Self Healing Umbrella Sampling method, which is an adaptive importance technique useful to sample multimodal target distributions. The importance function is based on the weights (namely the…

概率论 · 数学 2017-09-04 Gersende Fort , Benjamin Jourdain , Tony Lelièvre , Gabriel Stoltz

We propose an adaptive random quantum algorithm to obtain an optimized eigensolver. Specifically, we introduce a general method to parametrize and optimize the probability density function of a random number generator, which is the core of…

We consider the distance from a (square or rectangular) matrix pencil to the nearest matrix pencil in 2-norm that has a set of specified eigenvalues. We derive a singular value optimization characterization for this problem and illustrate…

数值分析 · 数学 2012-05-22 Daniel Kressner , Emre Mengi , Ivica Nakic , Ninoslav Truhar

Subspace methods are commonly used for finding approximate eigenvalues and singular values of large-scale matrices. Once a subspace is found, the Rayleigh-Ritz method (for symmetric eigenvalue problems) and Petrov-Galerkin projection (for…

数值分析 · 数学 2025-10-07 Irina-Beatrice Haas , Yuji Nakatsukasa

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…

概率论 · 数学 2014-02-24 Ana Bušić , Emilie Coupechoux

This paper introduces a novel method for eigenvalue computation using a distributed cooperative neural network framework. Unlike traditional techniques that face scalability challenges in large systems, our decentralized algorithm enables…

机器学习 · 计算机科学 2024-09-20 Ronald Katende

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

Importance sampling is a widely used technique to reduce the variance of a Monte Carlo estimator by an appropriate change of measure. In this work, we study importance sam- pling in the framework of diffusion process and consider the change…

概率论 · 数学 2018-03-28 Carsten Hartmann , Christof Schütte , Marcus Weber , Wei Zhang

Hamiltonian Monte Carlo is a widely used algorithm for sampling from posterior distributions of complex Bayesian models. It can efficiently explore high-dimensional parameter spaces guided by simulated Hamiltonian flows. However, the…

统计计算 · 统计学 2019-04-29 Lingge Li , Andrew Holbrook , Babak Shahbaba , Pierre Baldi

Non-Hermitian physics has emerged as a rich field of study, with applications ranging from $PT$-symmetry breaking and skin effects to non-Hermitian topological phase transitions. Yet most studies remain restricted to small-scale or…

量子物理 · 物理学 2025-10-06 Xiao-Ming Zhang , Yukun Zhang , Wenhao He , Xiao Yuan