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Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an…

软凝聚态物质 · 物理学 2024-09-16 Gerhard Jung , Giulio Biroli , Ludovic Berthier

We present an efficient algorithm for maximum likelihood estimation (MLE) of exponential family models, with a general parametrization of the energy function that includes neural networks. We exploit the primal-dual view of the MLE with a…

机器学习 · 计算机科学 2020-04-01 Bo Dai , Zhen Liu , Hanjun Dai , Niao He , Arthur Gretton , Le Song , Dale Schuurmans

Self-learning Monte Carlo (SLMC) method is a general algorithm to speedup MC simulations. Its efficiency has been demonstrated in various systems by introducing an effective model to propose global moves in the configuration space. In this…

强关联电子 · 物理学 2018-06-06 Huitao Shen , Junwei Liu , Liang Fu

We propose a class of discrete state sampling algorithms based on Nesterov's accelerated gradient method, which extends the classical Metropolis-Hastings (MH) algorithm. The evolution of the discrete states probability distribution governed…

最优化与控制 · 数学 2026-02-10 Bohan Zhou , Shu Liu , Xinzhe Zuo , Wuchen Li

Discrete diffusion models have emerged as powerful frameworks for generating structured categorical data. However, efficiently sampling from reward-tilted distributions remains a fundamental challenge. While Twisted Sequential Monte Carlo…

机器学习 · 计算机科学 2026-05-25 Jaihoon Kim , Taehoon Yoon , Prin Phunyaphibarn , Seungjun Kim , Morteza Mardani , Minhyuk Sung

We present a new Subset Simulation approach using Hamiltonian neural network-based Monte Carlo sampling for reliability analysis. The proposed strategy combines the superior sampling of the Hamiltonian Monte Carlo method with…

Markov Chain Monte Carlo (MCMC) sampling methods are widely used but often encounter either slow convergence or biased sampling when applied to multimodal high dimensional distributions. In this paper, we present a general framework of…

统计计算 · 统计学 2017-09-12 Ricky Fok , Aijun An , Xiaogang Wang

In this paper, we present an online reinforcement learning algorithm, called Renewal Monte Carlo (RMC), for infinite horizon Markov decision processes with a designated start state. RMC is a Monte Carlo algorithm and retains the advantages…

机器学习 · 计算机科学 2018-04-05 Jayakumar Subramanian , Aditya Mahajan

Class probabilities predicted by most multiclass classifiers are uncalibrated, often tending towards over-confidence. With neural networks, calibration can be improved by temperature scaling, a method to learn a single corrective…

机器学习 · 计算机科学 2019-10-29 Meelis Kull , Miquel Perello-Nieto , Markus Kängsepp , Telmo Silva Filho , Hao Song , Peter Flach

We introduce a sampling based machine learning approach, Monte Carlo physics informed neural networks (MC-PINNs), for solving forward and inverse fractional partial differential equations (FPDEs). As a generalization of physics informed…

机器学习 · 计算机科学 2022-09-28 Ling Guo , Hao Wu , Xiaochen Yu , Tao Zhou

Probabilistic inference algorithms such as Sequential Monte Carlo (SMC) provide powerful tools for constraining procedural models in computer graphics, but they require many samples to produce desirable results. In this paper, we show how…

图形学 · 计算机科学 2016-10-17 Daniel Ritchie , Anna Thomas , Pat Hanrahan , Noah D. Goodman

Neuroevolution is an active and growing research field, especially in times of increasingly parallel computing architectures. Learning methods for Artificial Neural Networks (ANN) can be divided into two groups. Neuroevolution is mainly…

神经与进化计算 · 计算机科学 2011-04-11 Onay Urfalioglu , Orhan Arikan

Monte Carlo methods are widely used in particle physics to integrate and sample probability distributions (differential cross sections or decay rates) on multi-dimensional phase spaces. We present a Neural Network (NN) algorithm optimized…

高能物理 - 唯象学 · 物理学 2020-10-21 Matthew D. Klimek , Maxim Perelstein

We present a novel deep learning-based algorithm to accelerate - through the use of Artificial Neural Networks (ANNs) - the convergence of Algebraic Multigrid (AMG) methods for the iterative solution of the linear systems of equations…

数值分析 · 数学 2025-06-18 Paola F. Antonietti , Matteo Caldana , Luca Dede'

In this paper, we address the challenge of Markov Chain Monte Carlo (MCMC) algorithms within the approximate Bayesian Computation (ABC) framework, which often get trapped in local optima due to their inherent local exploration mechanism. We…

统计计算 · 统计学 2025-12-16 Xuefei Cao , Shijia Wang , Yongdao Zhou

Diffusion models (DMs) have emerged as powerful image priors in Bayesian computational imaging. Two primary strategies have been proposed for leveraging DMs in this context: Plug-and-Play methods, which are zero-shot and highly flexible but…

计算机视觉与模式识别 · 计算机科学 2025-11-19 Charlesquin Kemajou Mbakam , Jonathan Spence , Marcelo Pereyra

Markov Chain Monte Carlo (MCMC) excels at sampling complex posteriors but traditionally lags behind nested sampling in accurate evidence estimation, which is crucial for model comparison in astrophysical problems. We introduce reddemcee, an…

天体物理仪器与方法 · 物理学 2026-02-25 Pablo A. Peña , James S. Jenkins

A new Monte Carlo algorithm for 2-dimensional spin glasses is presented. The use of clusters makes possible global updates and leads to a gain in speed of several orders of magnitude. As an example, we study the 2-dimensional +/-J…

无序系统与神经网络 · 物理学 2009-11-07 J. Houdayer

While significant progress has been made in specifying neural networks capable of representing uncertainty, deep networks still often suffer from overconfidence and misaligned predictive distributions. Existing approaches for measuring this…

机器学习 · 计算机科学 2025-10-24 Spencer Young , Riley Sinema , Cole Edgren , Andrew Hall , Nathan Dong , Porter Jenkins

We propose a fast and general predecision scheme for Metropolis Monte Carlo simulation of $d$-dimensional long-range interacting lattice models. For potentials of the form $V(r)=r^{-d-\sigma}$, this reduces the computational complexity from…

统计力学 · 物理学 2025-08-14 Fabio Müller , Wolfhard Janke