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Hybrid quantum/molecular mechanics models (QM/MM methods) are widely used in material and molecular simulations when MM models do not provide sufficient accuracy but pure QM models are computationally prohibitive. Adaptive QM/MM coupling…

Numerical Analysis · Mathematics 2020-07-13 Yangshuai Wang , Huajie Chen , Mingjie Liao , Christoph Ortner , Hao Wang , Lei Zhang

Performing exact Bayesian inference for complex models is computationally intractable. Markov chain Monte Carlo (MCMC) algorithms can provide reliable approximations of the posterior distribution but are expensive for large datasets and…

Computation · Statistics 2021-12-09 Maxime Vono , Daniel Paulin , Arnaud Doucet

In several implementations of Sequential Monte Carlo (SMC) methods it is natural, and important in terms of algorithmic efficiency, to exploit the information of the history of the samples to optimally tune their subsequent propagations. In…

Computation · Statistics 2014-02-07 Alexandros Beskos , Ajay Jasra , Nikolas Kantas , Alexandre Thiery

The edge partition model (EPM) is a generative model for extracting an overlapping community structure from static graph-structured data. In the EPM, the gamma process (GaP) prior is adopted to infer the appropriate number of latent…

Social and Information Networks · Computer Science 2024-03-04 Sikun Yang , Heinz Koeppl

Any clustering algorithm must synchronously learn to model the clusters and allocate data to those clusters in the absence of labels. Mixture model-based methods model clusters with pre-defined statistical distributions and allocate data to…

Machine Learning · Computer Science 2022-10-04 Dumindu Tissera , Kasun Vithanage , Rukshan Wijesinghe , Alex Xavier , Sanath Jayasena , Subha Fernando , Ranga Rodrigo

Approximate Bayesian computation (ABC) has gained popularity over the past few years for the analysis of complex models arising in population genetic, epidemiology and system biology. Sequential Monte Carlo (SMC) approaches have become work…

Computation · Statistics 2012-10-16 Sarah Filippi , Chris Barnes , Julien Cornebise , Michael P. H. Stumpf

A novel adaptive Markov chain Monte Carlo algorithm is presented. The algorithm utilizes sparsity in the partial correlation structure of a density to efficiently estimate the covariance matrix through the Cholesky factor of the precision…

Computation · Statistics 2016-02-09 Jonas Wallin , David Bolin

We introduce the Adaptive Massively Parallel Computation (AMPC) model, which is an extension of the Massively Parallel Computation (MPC) model. At a high level, the AMPC model strengthens the MPC model by storing all messages sent within a…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-21 Soheil Behnezhad , Laxman Dhulipala , Hossein Esfandiari , Jakub Łącki , Warren Schudy , Vahab Mirrokni

Model editing aims to efficiently alter the behavior of Large Language Models (LLMs) within a desired scope, while ensuring no adverse impact on other inputs. Recent years have witnessed various model editing methods been proposed. However,…

Computation and Language · Computer Science 2024-06-04 Renzhi Wang , Piji Li

One of the major problems in adaptive filtering is the problem of system identification. It has been studied extensively due to its immense practical importance in a variety of fields. The underlying goal is to identify the impulse response…

Systems and Control · Computer Science 2015-05-11 Muhammad Ali Raza Anjum

Motivated by a challenging problem in financial trading we are presented with a mixture of regressions with variable selection problem. In this regard, one is faced with data which possess outliers, skewness and, simultaneously, due to the…

Applications · Statistics 2012-05-23 Alberto Cozzini , Ajay Jasra , Giovanni Montana

In the era of Big Data, Markov chain Monte Carlo (MCMC) methods, which are currently essential for Bayesian estimation, face significant computational challenges owing to their sequential nature. To achieve a faster and more effective…

Computation · Statistics 2024-11-08 Tomoki Matsumoto

Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these…

Quantum Physics · Physics 2022-02-02 Taylor L. Patti , Omar Shehab , Khadijeh Najafi , Susanne F. Yelin

Mixture of experts method is a neural network based ensemble learning that has great ability to improve the overall classification accuracy. This method is based on the divide and conquer principle, in which the problem space is divided…

Machine Learning · Computer Science 2021-05-26 Laleh Armi , Elham Abbasi , Jamal Zarepour-Ahmadabadi

We develop a novel advanced Particle Markov chain Monte Carlo algorithm that is capable of sampling from the posterior distribution of non-linear state space models for both the unobserved latent states and the unknown model parameters. We…

Methodology · Statistics 2015-03-17 Gareth W. Peters , Geoff R. Hosack , Keith R. Hayes

In this article we propose a novel MCMC method based on deterministic transformations T: X x D --> X where X is the state-space and D is some set which may or may not be a subset of X. We refer to our new methodology as Transformation-based…

Computation · Statistics 2013-10-21 Somak Dutta , Sourabh Bhattacharya

We introduce a new micro-macro Markov chain Monte Carlo method (mM-MCMC) to sample invariant distributions of molecular dynamics systems that exhibit a time-scale separation between the microscopic (fast) dynamics, and the macroscopic…

Numerical Analysis · Mathematics 2020-02-24 Hannes Vandecasteele , Giovanni Samaey

Modern computational advances have enabled easy parallel implementations of Markov chain Monte Carlo (MCMC). However, almost all work in estimating the variance of Monte Carlo averages, including the efficient batch means (BM) estimator,…

Methodology · Statistics 2024-07-23 Kushagra Gupta , Dootika Vats

Variance components estimation and mixed model analysis are central themes in statistics with applications in numerous scientific disciplines. Despite the best efforts of generations of statisticians and numerical analysts, maximum…

Computation · Statistics 2015-09-25 Hua Zhou , Liuyi Hu , Jin Zhou , Kenneth Lange

Model ensembling is a well-established technique for improving the performance of machine learning models. Conventionally, this involves averaging the output distributions of multiple models and selecting the most probable label. This idea…

Machine Learning · Computer Science 2026-05-26 Jiale Fu , Yuchu Jiang , Peijun Wu , Chonghan Liu , Joey Tianyi Zhou , Xu Yang
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