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Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently in [Plattner et al, J. Chem. Phys. 135, 134111 (2011)] a method was proposed to implement infinite…

Statistical Mechanics · Physics 2015-06-12 Jianfeng Lu , Eric Vanden-Eijnden

A random set is a generalisation of a random variable, i.e. a set-valued random variable. The random set theory allows a unification of other uncertainty descriptions such as interval variable, mass belief function in Dempster-Shafer theory…

Numerical Analysis · Mathematics 2018-11-27 Truong-Vinh Hoang , Hermann G. Matthies

We introduce a novel approach to improve unsupervised hashing. Specifically, we propose a very efficient embedding method: Gaussian Mixture Model embedding (Gemb). The proposed method, using Gaussian Mixture Model, embeds feature vector…

Computer Vision and Pattern Recognition · Computer Science 2017-07-05 Tuan Hoang , Thanh-Toan Do , Dang-Khoa Le Tan , Ngai-Man Cheung

In this paper, we present a new practical method for Bayesian learning that can rapidly draw representative samples from complex posterior distributions with multiple isolated modes in the presence of mini-batch noise. This is achieved by…

Machine Learning · Statistics 2021-02-23 Rui Luo , Qiang Zhang , Yaodong Yang , Jun Wang

Next-generation sequencing technologies provide a revolutionary tool for generating gene expression data. Starting with a fixed RNA sample, they construct a library of millions of differentially abundant short sequence tags or "reads",…

Quantitative Methods · Quantitative Biology 2014-05-13 Dimitrios V. Vavoulis , Julian Gough

While gradient-based discrete samplers are effective in sampling from complex distributions, they are susceptible to getting trapped in local minima, particularly in high-dimensional, multimodal discrete distributions, owing to the…

Machine Learning · Statistics 2025-05-21 Luxu Liang , Yuhang Jia , Feng Zhou

We present here two novel algorithms for simulated tempering simulations, which break detailed balance condition (DBC) but satisfy the skewed detailed balance to ensure invariance of the target distribution. The irreversible methods we…

Statistical Mechanics · Physics 2021-02-03 Fahim Faizi , Pedro J. Buigues , George Deligiannidis , Edina Rosta

We propose a deep generative approach to sampling from a conditional distribution based on a unified formulation of conditional distribution and generalized nonparametric regression function using the noise-outsourcing lemma. The proposed…

Statistics Theory · Mathematics 2021-10-22 Xingyu Zhou , Yuling Jiao , Jin Liu , Jian Huang

We consider a randomised implementation of the finite element method (FEM) for elliptic partial differential equations on high-dimensional models. This is motivated by applications where model predictions are essential for real-time process…

Numerical Analysis · Mathematics 2019-07-30 Yue Wu , Dimitris Kamilis , Nick Polydorides

Restricted Boltzmann Machines (RBMs) are one of the fundamental building blocks of deep learning. Approximate maximum likelihood training of RBMs typically necessitates sampling from these models. In many training scenarios, computationally…

Machine Learning · Computer Science 2014-10-02 Guillaume Desjardins , Heng Luo , Aaron Courville , Yoshua Bengio

There has been an arising trend of adopting deep learning methods to study partial differential equations (PDEs). This article is to propose a Deep Learning Galerkin Method (DGM) for the closed-loop geothermal system, which is a new coupled…

Numerical Analysis · Mathematics 2022-04-19 Wen Zhang , Jian Li

Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

Climate downscaling is a crucial technique within climate research, serving to project low-resolution (LR) climate data to higher resolutions (HR). Previous research has demonstrated the effectiveness of deep learning for downscaling tasks.…

Machine Learning · Computer Science 2023-12-13 Naufal Shidqi , Chaeyoon Jeong , Sungwon Park , Elke Zeller , Arjun Babu Nellikkattil , Karandeep Singh

The inverse temperature parameter of the Potts model governs the strength of spatial cohesion and therefore has a major influence over the resulting model fit. A difficulty arises from the dependence of an intractable normalising constant…

Computation · Statistics 2018-08-20 Matthew T. Moores , Geoff K. Nicholls , Anthony N. Pettitt , Kerrie Mengersen

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of…

In the replica-exchange molecular dynamics method, where constant-temperature molecular dynamics simulations are performed in each replica, one usually rescales the momentum of each particle after replica exchange. This rescaling method had…

Statistical Mechanics · Physics 2010-04-14 Yoshiharu Mori , Yuko Okamoto

Despite the increasing prevalence of vector observations, computation of optimal experimental design for multi-response models has received limited attention. To address this problem within the framework of approximate designs, we introduce…

Computation · Statistics 2026-02-13 Pál Somogyi , Samuel Rosa , Radoslav Harman

We study the random energy model with a hierarchical structure known as the generalized random energy model (GREM). In contrast to the original analysis by the microcanonical ensemble formalism, we investigate the GREM by the canonical…

Disordered Systems and Neural Networks · Physics 2010-11-16 Tomoyuki Obuchi , Kazutaka Takahashi , Koujin Takeda

Dependent generalized extreme value (dGEV) models have attracted much attention due to the dependency structure that often appears in real datasets. To construct a dGEV model, a natural approach is to assume that some parameters in the…

Methodology · Statistics 2017-03-06 Bo Ning , Peter Bloomfield

We propose a new method in which a generative network (GN) integrate into a reduced-order model (ROM) framework is used to solve inverse problems for partial differential equations (PDE). The aim is to match available measurements and…

Machine Learning · Computer Science 2025-06-17 Vinicius L. S. Silva , Claire E. Heaney , Nenko Nenov , Christopher C. Pain