CFD Collection: Monte Carlo Methods

Introduction

History of Monte Carlo Methods

Simulation Based Methods

Major Components of Monte Carlo Algorithm

Classic Monte Carlo Integration

Monte Carlo Integration in Bayesian Context

The Advantage of Monte Carlo Integration

Optimization

Classical Methods of Sampling

Rejection Sampling

Importance Sampling

Sampling Importance Resampling, SIR

Some Concept of Probability Theory -Probability

Probability Properties

Conditional Probability

Total Probability

Bayes'Theorem

General Form of Bayes' Theorem

Random Variables

Distribution and Density Function

Conditional Distribution, Density Function

Bayes' Theorem and Total Probability

Expected Value

Average or Mean

Proprieties of Expected Value

Variance

Covariance

Mean, Average and Expectation

Random Nummbers (RN)

Discrete Random Variables 

Bernoulli and Related Variables

Binomial Distribution

Hypergeometric Distributions

Geometric Distribution

Normal Approximation of Binominal Probabilities

Poisson Approximation of Binominal Probabilities

Multinomial Probability Function

Continuous Random Variables 

Normal Distributions - Gaussian

Exponential Distributions

Gamma Distributions

Beta Distributions

Chi - Square Distributions

F- and t- Distribution

Distributions for Reability

Transformation Methods

Exponential Deviates

Normal Deviates - Gaussian

Box - Muller Method

Rejection Method

Gamma Deviates

Poisson Deviates

Binomial Deviates

Random Sequences

Pseudo - Random Numbers

Quasi - Random Numbers

Halton's Sequences

Sobol' Sequence

Markov Chains -Introduction

Metropolis Algorithm - introduction

Markov Chain Monte Carlo (MCMC)

MCMC Algorithm

Metropolis-Hasting Algorithm

Simulated Anneling for Global Optimization

Mixtures and Cycles of MCMC Kernels

The Gibbs Sampler a Cycle of MH Kernel

Directed Acyclic Graphs (DAGS)

Monte Carlo Expectation Maximization EM

Hybrid Monte Carlo

The Slice or General Gibbs Sampler

Reversible Jump MCMC

The MCMC Frontiers

Convergence and Perfect Sampling

Adaptive MCMC

The Machine Learning Frontier

Random Number Generators

Proprieties of a Random Number Generator

Type of Generators

Linear Congruential Generators or Multiplicative Linear Congruential Generator

Combined Linear Congruential Generators

R250

Minimal Standard Generator

Quick and Dirty Generator

Lagged Fibonacci Generators (LFG)

Parallel Monte Carlo

Prallel Random Number Generators

Pseudorandom Number Generator on Parallel Computers

Amdahl's Law

Overhead Time

Parallel Algorithm Using Leapfrog

Parallel Algorithm Using Splitting

Parallel Lagged Fibonacci Generators

Parrallel Lagged Fibonacci Generators II

Sequential Monte Carlo (SMC) 

Introduction

Particle Tracking

Linear and Normal State - Space Modeling

Nonlinear and Non - Gaussian State - Space Modeling

Nonlinear Bayesian Tracking

State Vector and Observation Vector

Motion Model

Video Tracking Formulation

Audio Tracking Formulation

Combined Posterior Probability Estimation

Condensation

Grid Based Methods - Optimal Algorithm

Approximate Grid - Based Methods - Suboptimal Algorithm

Kalman Filter - Optimal Algorithm

Extended Kalman Filter - Suboptimal Algorithm

Unscented Kalman Filter

Particle Filtering Methods

Sequential Importance Sampling (SIS) Algorithm

Degeneracy Problem of SIS Particle Filter

SIS with Optimal Importance Density

SIS with Resampling

Generic Particle Filter

SIS with Suboptimal Importance Density

Generic Particle Filtering Algorithm For JMS

Sampling Importance Resampling Filter (SIR)

Auxiliary Sampling Importance Resampling Filter (ASIR)

Regularized Particle Filter (RPF)

Likelihood Particle Filter

Rao - Blackellization

Methods Based on Random Draws Directly from Prediction, Filtering and Smoothing

Monte Carlo Integration with Importance Sampling

Resampling

Rejection Sampling

MCMC or Metropolis - Hasting within Gibbs Sampling

Quasi - Filter and Quasi -  Smoother

Sampling Methods-Monte Carlo Integration with Imposrtance Sampling

Rejection Sampling

Gibbs Sampling

Metropolis -  Hasting Algorithm

Estimation

Bayesian Estimation

Cost Functions

Parametric Estimation

Estimation Error Covariance

Recursive Estimation

Linear Recursive Estimation

Nonlinear Recursive Estimation

Cramer - Rao Bounds

Nonrandom Parameters

Parametric Cramer - Rao Bound

Biased Estimators

Random Parameters

Posterior Cramer - Rao Bound

Molecular Monte Carlo

Quantum Monte Carlo (QMC)

Variational Quantum Monte Carlo (VQMC) Calculation

VQMC Algorithm

Equilibrium Stage

Energy Evaluation Stage

Diffusion Quantum Monte Carlo (DQMC)

DQMC Algorithm

Fixed Node Approximation

DQMC With Non- local Pseudopotentials

Performing DQMC Calculations on Parallel Computers

Performing VQMC Calculations on Parallel Computers

Diffusion Monte Carlo 

Density of Bacteria Diffusing in a Fluid with Locally Varying Nutrient Concentration

Diffusion Part

Autocatalysis Part

Diffusion Monte Carlo Algorithm

Path Integral Monte Carlo (PIMC)

Density Matrix for the Free Particle

Density Matrix for the Harmonic Oscillator

Strategy of PIMC

PIMC Algorithm

Kinetic Monte Carlo Models (KMC)-Introduction

KMC Simulations

Continuum Model

The Hybrid Scheme

Continuum Regions

KMC Regions

Interface Between KMC and Continuum Regions

Nucleation and Vacancy Formation

Computational Cost

Large Complex System - Coarse Dynamics

Coarse Projection Integration

Coarse Bifurcation Analysis

Numerical Solution of Boltzmann Equation by Monte Carlo Methods-Introduction

Boltzmann Equation

Fluid Dynamical Limit

Time Discretisations (TD)

Time Relaxed (TR) Schemes

Application to Boltzmann Equation

Generalized TR Schemes

The Kac Equation

The Nabu - Babovsky Direct Simulation Monte Carlo (DSMC) Method

Algorithm - DSMC for Maxwell Molecules

Algorithm - DSMC for Variable Hard Sphere (VHS) Molecules

First and Second Order TRMC Methods

First Order TRMC for VHS Molecules Algorithm

Second Order TRMC for VHS Molecules Algorithm

Hybrid Time Relaxed Monte Carlo Methods

TRMCH Algorithm for Maxwellian Molecules

TRMCH Algorithm for VHS Kernels

Monte Carlo Methods and Boltzmann Equation

Direct Simulation Monte Carlo - Bird Method

Monte Carlo Methods for the Linearised Poisson-Boltzmann Equation (LPBE)

Modified Walk On Spheres

Feyman - Kac Walks on Spheres

Biochemical Application

Some Monte Carlo Applications-Monte Carlo Methods, Metropolis et al., (1953)

MC for Calculating the Electronic Properties of Solids

Monte Carlo and Defined Integral

Monte Carlo Integration to Estimate Pi

Monte Carlo and Differential Equations

Poisson's Equation Solved by Monte Carlo

Monte Carlo Methods (MC) and Thermal Average Quantity

Monte Carlo Estimate of Thermodynamic Properties

References

 

 

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