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Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational
algorithm In mathematics and computer science, an algorithm () is a finite sequence of rigorous instructions, typically used to solve a class of specific problems or to perform a computation. Algorithms are used as specifications for performing ...
s that rely on repeated
random sampling In statistics, quality assurance, and survey methodology, sampling is the selection of a subset (a statistical sample) of individuals from within a statistical population to estimate characteristics of the whole population. Statisticians attemp ...
to obtain numerical results. The underlying concept is to use
randomness In common usage, randomness is the apparent or actual lack of pattern or predictability in events. A random sequence of events, symbols or steps often has no order and does not follow an intelligible pattern or combination. Individual rand ...
to solve problems that might be deterministic in principle. They are often used in physical and
mathematical Mathematics is an area of knowledge that includes the topics of numbers, formulas and related structures, shapes and the spaces in which they are contained, and quantities and their changes. These topics are represented in modern mathematics ...
problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes:
optimization Mathematical optimization (alternatively spelled ''optimisation'') or mathematical programming is the selection of a best element, with regard to some criterion, from some set of available alternatives. It is generally divided into two subfi ...
, numerical integration, and generating draws from a probability distribution. In physics-related problems, Monte Carlo methods are useful for simulating systems with many
coupled ''Coupled'' is an American dating game show that aired on Fox from May 17 to August 2, 2016. It was hosted by television personality, Terrence J and created by Mark Burnett, of '' Survivor'', ''The Apprentice'', '' Are You Smarter Than a 5th G ...
degrees of freedom, such as fluids, disordered materials, strongly coupled solids, and cellular structures (see
cellular Potts model In computational biology, a Cellular Potts model (CPM, also known as the Glazier-Graner-Hogeweg model) is a computational model of cells and tissues. It is used to simulate individual and collective cell behavior, tissue morphogenesis and cancer de ...
, interacting particle systems, McKean–Vlasov processes, kinetic models of gases). Other examples include modeling phenomena with significant
uncertainty Uncertainty refers to epistemic situations involving imperfect or unknown information. It applies to predictions of future events, to physical measurements that are already made, or to the unknown. Uncertainty arises in partially observable ...
in inputs such as the calculation of
risk In simple terms, risk is the possibility of something bad happening. Risk involves uncertainty about the effects/implications of an activity with respect to something that humans value (such as health, well-being, wealth, property or the environm ...
in business and, in mathematics, evaluation of multidimensional definite integrals with complicated boundary conditions. In application to systems engineering problems (space,
oil exploration Hydrocarbon exploration (or oil and gas exploration) is the search by petroleum geologists and geophysicists for deposits of hydrocarbons, particularly petroleum and natural gas, in the Earth using petroleum geology. Exploration methods Vis ...
, aircraft design, etc.), Monte Carlo–based predictions of failure,
cost overrun A cost overrun, also known as a cost increase or budget overrun, involves unexpected incurred costs. When these costs are in excess of budgeted amounts due to a value engineering underestimation of the actual cost during budgeting, they are known ...
s and schedule overruns are routinely better than human intuition or alternative "soft" methods. In principle, Monte Carlo methods can be used to solve any problem having a probabilistic interpretation. By the law of large numbers, integrals described by the expected value of some random variable can be approximated by taking the empirical mean ( the 'sample mean') of independent samples of the variable. When the probability distribution of the variable is parameterized, mathematicians often use a
Markov chain Monte Carlo In statistics, Markov chain Monte Carlo (MCMC) methods comprise a class of algorithms for sampling from a probability distribution. By constructing a Markov chain that has the desired distribution as its equilibrium distribution, one can obtain ...
(MCMC) sampler. The central idea is to design a judicious Markov chain model with a prescribed
stationary probability distribution Stationary distribution may refer to: * A special distribution for a Markov chain such that if the chain starts with its stationary distribution, the marginal distribution of all states at any time will always be the stationary distribution. Assum ...
. That is, in the limit, the samples being generated by the MCMC method will be samples from the desired (target) distribution. By the
ergodic theorem Ergodic theory (Greek: ' "work", ' "way") is a branch of mathematics that studies statistical properties of deterministic dynamical systems; it is the study of ergodicity. In this context, statistical properties means properties which are expres ...
, the stationary distribution is approximated by the
empirical measure In probability theory, an empirical measure is a random measure arising from a particular realization of a (usually finite) sequence of random variables. The precise definition is found below. Empirical measures are relevant to mathematical sta ...
s of the random states of the MCMC sampler. In other problems, the objective is generating draws from a sequence of probability distributions satisfying a nonlinear evolution equation. These flows of probability distributions can always be interpreted as the distributions of the random states of a Markov process whose transition probabilities depend on the distributions of the current random states (see McKean–Vlasov processes, nonlinear filtering equation). In other instances we are given a flow of probability distributions with an increasing level of sampling complexity (path spaces models with an increasing time horizon, Boltzmann–Gibbs measures associated with decreasing temperature parameters, and many others). These models can also be seen as the evolution of the law of the random states of a nonlinear Markov chain. A natural way to simulate these sophisticated nonlinear Markov processes is to sample multiple copies of the process, replacing in the evolution equation the unknown distributions of the random states by the sampled
empirical measure In probability theory, an empirical measure is a random measure arising from a particular realization of a (usually finite) sequence of random variables. The precise definition is found below. Empirical measures are relevant to mathematical sta ...
s. In contrast with traditional Monte Carlo and MCMC methodologies, these mean-field particle techniques rely on sequential interacting samples. The terminology ''mean field'' reflects the fact that each of the ''samples'' ( particles, individuals, walkers, agents, creatures, or phenotypes) interacts with the empirical measures of the process. When the size of the system tends to infinity, these random empirical measures converge to the deterministic distribution of the random states of the nonlinear Markov chain, so that the statistical interaction between particles vanishes. Despite its conceptual and algorithmic simplicity, the computational cost associated with a Monte Carlo simulation can be staggeringly high. In general the method requires many samples to get a good approximation, which may incur an arbitrarily large total runtime if the processing time of a single sample is high. Although this is a severe limitation in very complex problems, the embarrassingly parallel nature of the algorithm allows this large cost to be reduced (perhaps to a feasible level) through parallel computing strategies in local processors, clusters, cloud computing, GPU, FPGA, etc.


Overview

Monte Carlo methods vary, but tend to follow a particular pattern: # Define a domain of possible inputs # Generate inputs randomly from a probability distribution over the domain # Perform a deterministic computation on the inputs # Aggregate the results For example, consider a quadrant (circular sector) inscribed in a
unit square In mathematics, a unit square is a square whose sides have length . Often, ''the'' unit square refers specifically to the square in the Cartesian plane with corners at the four points ), , , and . Cartesian coordinates In a Cartesian coordin ...
. Given that the ratio of their areas is , the value of can be approximated using a Monte Carlo method: # Draw a square, then
inscribe {{unreferenced, date=August 2012 An inscribed triangle of a circle In geometry, an inscribed planar shape or solid is one that is enclosed by and "fits snugly" inside another geometric shape or solid. To say that "figure F is inscribed in figur ...
a quadrant within it # Uniformly scatter a given number of points over the square # Count the number of points inside the quadrant, i.e. having a distance from the origin of less than 1 # The ratio of the inside-count and the total-sample-count is an estimate of the ratio of the two areas, . Multiply the result by 4 to estimate . In this procedure the domain of inputs is the square that circumscribes the quadrant. We generate random inputs by scattering grains over the square then perform a computation on each input (test whether it falls within the quadrant). Aggregating the results yields our final result, the approximation of . There are two important considerations: # If the points are not uniformly distributed, then the approximation will be poor. # There are many points. The approximation is generally poor if only a few points are randomly placed in the whole square. On average, the approximation improves as more points are placed. Uses of Monte Carlo methods require large amounts of random numbers, and their use benefitted greatly from pseudorandom number generators, which were far quicker to use than the tables of random numbers that had been previously used for statistical sampling.


History

Before the Monte Carlo method was developed, simulations tested a previously understood deterministic problem, and statistical sampling was used to estimate uncertainties in the simulations. Monte Carlo simulations invert this approach, solving deterministic problems using probabilistic
metaheuristic In computer science and mathematical optimization, a metaheuristic is a higher-level procedure or heuristic designed to find, generate, or select a heuristic (partial search algorithm) that may provide a sufficiently good solution to an optimizati ...
s (see
simulated annealing Simulated annealing (SA) is a probabilistic technique for approximating the global optimum of a given function. Specifically, it is a metaheuristic to approximate global optimization in a large search space for an optimization problem. ...
). An early variant of the Monte Carlo method was devised to solve the Buffon's needle problem, in which can be estimated by dropping needles on a floor made of parallel equidistant strips. In the 1930s, Enrico Fermi first experimented with the Monte Carlo method while studying neutron diffusion, but he did not publish this work. In the late 1940s, Stanislaw Ulam invented the modern version of the Markov Chain Monte Carlo method while he was working on nuclear weapons projects at the
Los Alamos National Laboratory Los Alamos National Laboratory (often shortened as Los Alamos and LANL) is one of the sixteen research and development laboratories of the United States Department of Energy (DOE), located a short distance northwest of Santa Fe, New Mexico, ...
. In 1946, nuclear weapons physicists at Los Alamos were investigating neutron diffusion in the core of a nuclear weapon. Despite having most of the necessary data, such as the average distance a neutron would travel in a substance before it collided with an atomic nucleus and how much energy the neutron was likely to give off following a collision, the Los Alamos physicists were unable to solve the problem using conventional, deterministic mathematical methods. Ulam proposed using random experiments. He recounts his inspiration as follows: Being secret, the work of von Neumann and Ulam required a code name. A colleague of von Neumann and Ulam,
Nicholas Metropolis Nicholas Constantine Metropolis (Greek: ; June 11, 1915 – October 17, 1999) was a Greek-American physicist. Metropolis received his BSc (1937) and PhD in physics (1941, with Robert Mulliken) at the University of Chicago. Shortly afterwards, ...
, suggested using the name ''Monte Carlo'', which refers to the Monte Carlo Casino in
Monaco Monaco (; ), officially the Principality of Monaco (french: Principauté de Monaco; Ligurian: ; oc, Principat de Mónegue), is a sovereign city-state and microstate on the French Riviera a few kilometres west of the Italian region of Lig ...
where Ulam's uncle would borrow money from relatives to gamble. Monte Carlo methods were central to the
simulation A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the s ...
s required for the
Manhattan Project The Manhattan Project was a research and development undertaking during World War II that produced the first nuclear weapons. It was led by the United States with the support of the United Kingdom and Canada. From 1942 to 1946, the project w ...
, though severely limited by the computational tools at the time. Von Neumann,
Nicholas Metropolis Nicholas Constantine Metropolis (Greek: ; June 11, 1915 – October 17, 1999) was a Greek-American physicist. Metropolis received his BSc (1937) and PhD in physics (1941, with Robert Mulliken) at the University of Chicago. Shortly afterwards, ...
and others programmed the
ENIAC ENIAC (; Electronic Numerical Integrator and Computer) was the first programmable, electronic, general-purpose digital computer, completed in 1945. There were other computers that had these features, but the ENIAC had all of them in one pac ...
computer to perform the first fully automated Monte Carlo calculations, of a
fission weapon Nuclear weapon designs are physical, chemical, and engineering arrangements that cause the physics package of a nuclear weapon to detonate. There are three existing basic design types: * pure fission weapons, the simplest and least technically ...
core, in the spring of 1948. In the 1950s Monte Carlo methods were used at Los Alamos for the development of the hydrogen bomb, and became popularized in the fields of
physics Physics is the natural science that studies matter, its fundamental constituents, its motion and behavior through space and time, and the related entities of energy and force. "Physical science is that department of knowledge which r ...
,
physical chemistry Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistica ...
, and
operations research Operations research ( en-GB, operational research) (U.S. Air Force Specialty Code: Operations Analysis), often shortened to the initialism OR, is a discipline that deals with the development and application of analytical methods to improve decis ...
. The Rand Corporation and the
U.S. Air Force The United States Air Force (USAF) is the air service branch of the United States Armed Forces, and is one of the eight uniformed services of the United States. Originally created on 1 August 1907, as a part of the United States Army Sign ...
were two of the major organizations responsible for funding and disseminating information on Monte Carlo methods during this time, and they began to find a wide application in many different fields. The theory of more sophisticated mean-field type particle Monte Carlo methods had certainly started by the mid-1960s, with the work of Henry P. McKean Jr. on Markov interpretations of a class of nonlinear parabolic partial differential equations arising in fluid mechanics. We also quote an earlier pioneering article by Theodore E. Harris and Herman Kahn, published in 1951, using mean-field genetic-type Monte Carlo methods for estimating particle transmission energies. Mean-field genetic type Monte Carlo methodologies are also used as heuristic natural search algorithms (a.k.a.
metaheuristic In computer science and mathematical optimization, a metaheuristic is a higher-level procedure or heuristic designed to find, generate, or select a heuristic (partial search algorithm) that may provide a sufficiently good solution to an optimizati ...
) in evolutionary computing. The origins of these mean-field computational techniques can be traced to 1950 and 1954 with the work of
Alan Turing Alan Mathison Turing (; 23 June 1912 – 7 June 1954) was an English mathematician, computer scientist, logician, cryptanalyst, philosopher, and theoretical biologist. Turing was highly influential in the development of theoretical co ...
on genetic type mutation-selection learning machines and the articles by Nils Aall Barricelli at the
Institute for Advanced Study The Institute for Advanced Study (IAS), located in Princeton, New Jersey, in the United States, is an independent center for theoretical research and intellectual inquiry. It has served as the academic home of internationally preeminent schola ...
in
Princeton, New Jersey Princeton is a municipality with a borough form of government in Mercer County, in the U.S. state of New Jersey. It was established on January 1, 2013, through the consolidation of the Borough of Princeton and Princeton Township, both of whi ...
. Quantum Monte Carlo, and more specifically diffusion Monte Carlo methods can also be interpreted as a mean-field particle Monte Carlo approximation of FeynmanKac path integrals. The origins of Quantum Monte Carlo methods are often attributed to Enrico Fermi and
Robert Richtmyer Robert Davis Richtmyer (October 10, 1910 – September 24, 2003) was an American physicist, mathematician, educator, author, and musician. Biography Richtmyer was born on October 10, 1910 in Ithaca, New York. His father was physicist Floyd K. R ...
who developed in 1948 a mean-field particle interpretation of neutron-chain reactions, but the first heuristic-like and genetic type particle algorithm (a.k.a. Resampled or Reconfiguration Monte Carlo methods) for estimating ground state energies of quantum systems (in reduced matrix models) is due to Jack H. Hetherington in 1984 In molecular chemistry, the use of genetic heuristic-like particle methodologies (a.k.a. pruning and enrichment strategies) can be traced back to 1955 with the seminal work of Marshall N. Rosenbluth and Arianna W. Rosenbluth. The use of Sequential Monte Carlo in advanced signal processing and Bayesian inference is more recent. It was in 1993, that Gordon et al., published in their seminal work the first application of a Monte Carlo resampling algorithm in Bayesian statistical inference. The authors named their algorithm 'the bootstrap filter', and demonstrated that compared to other filtering methods, their bootstrap algorithm does not require any assumption about that state-space or the noise of the system. We also quote another pioneering article in this field of Genshiro Kitagawa on a related "Monte Carlo filter", and the ones by Pierre Del Moral and Himilcon Carvalho, Pierre Del Moral, André Monin and Gérard Salut on particle filters published in the mid-1990s. Particle filters were also developed in signal processing in 1989–1992 by P. Del Moral, J. C. Noyer, G. Rigal, and G. Salut in the LAAS-CNRS in a series of restricted and classified research reports with STCAN (Service Technique des Constructions et Armes Navales), the IT company DIGILOG, and th
LAAS-CNRS
(the Laboratory for Analysis and Architecture of Systems) on radar/sonar and GPS signal processing problems. These Sequential Monte Carlo methodologies can be interpreted as an acceptance-rejection sampler equipped with an interacting recycling mechanism. From 1950 to 1996, all the publications on Sequential Monte Carlo methodologies, including the pruning and resample Monte Carlo methods introduced in computational physics and molecular chemistry, present natural and heuristic-like algorithms applied to different situations without a single proof of their consistency, nor a discussion on the bias of the estimates and on genealogical and ancestral tree based algorithms. The mathematical foundations and the first rigorous analysis of these particle algorithms were written by Pierre Del Moral in 1996. Branching type particle methodologies with varying population sizes were also developed in the end of the 1990s by Dan Crisan, Jessica Gaines and Terry Lyons, and by Dan Crisan, Pierre Del Moral and Terry Lyons. Further developments in this field were developed in 2000 by P. Del Moral, A. Guionnet and L. Miclo.


Definitions

There is no consensus on how ''Monte Carlo'' should be defined. For example, Ripley defines most probabilistic modeling as '' stochastic simulation'', with ''Monte Carlo'' being reserved for Monte Carlo integration and Monte Carlo statistical tests. Sawilowsky distinguishes between a
simulation A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the s ...
, a Monte Carlo method, and a Monte Carlo simulation: a simulation is a fictitious representation of reality, a Monte Carlo method is a technique that can be used to solve a mathematical or statistical problem, and a Monte Carlo simulation uses repeated sampling to obtain the statistical properties of some phenomenon (or behavior). Examples: *Simulation: Drawing ''one'' pseudo-random uniform variable from the interval ,1can be used to simulate the tossing of a coin: If the value is less than or equal to 0.50 designate the outcome as heads, but if the value is greater than 0.50 designate the outcome as tails. This is a simulation, but not a Monte Carlo simulation. *Monte Carlo method: Pouring out a box of coins on a table, and then computing the ratio of coins that land heads versus tails is a Monte Carlo method of determining the behavior of repeated coin tosses, but it is not a simulation. *Monte Carlo simulation: Drawing ''a large number'' of pseudo-random uniform variables from the interval ,1at one time, or once at many different times, and assigning values less than or equal to 0.50 as heads and greater than 0.50 as tails, is a ''Monte Carlo simulation'' of the behavior of repeatedly tossing a coin. Kalos and Whitlock point out that such distinctions are not always easy to maintain. For example, the emission of radiation from atoms is a natural stochastic process. It can be simulated directly, or its average behavior can be described by stochastic equations that can themselves be solved using Monte Carlo methods. "Indeed, the same computer code can be viewed simultaneously as a 'natural simulation' or as a solution of the equations by natural sampling."


Monte Carlo and random numbers

The main idea behind this method is that the results are computed based on repeated random sampling and statistical analysis. The Monte Carlo simulation is, in fact, random experimentations, in the case that, the results of these experiments are not well known. Monte Carlo simulations are typically characterized by many unknown parameters, many of which are difficult to obtain experimentally. Monte Carlo simulation methods do not always require truly random numbers to be useful (although, for some applications such as primality testing, unpredictability is vital). Many of the most useful techniques use deterministic, pseudorandom sequences, making it easy to test and re-run simulations. The only quality usually necessary to make good
simulation A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the s ...
s is for the pseudo-random sequence to appear "random enough" in a certain sense. What this means depends on the application, but typically they should pass a series of statistical tests. Testing that the numbers are uniformly distributed or follow another desired distribution when a large enough number of elements of the sequence are considered is one of the simplest and most common ones. Weak correlations between successive samples are also often desirable/necessary. Sawilowsky lists the characteristics of a high-quality Monte Carlo simulation: *the (pseudo-random) number generator has certain characteristics (e.g. a long "period" before the sequence repeats) *the (pseudo-random) number generator produces values that pass tests for randomness *there are enough samples to ensure accurate results *the proper sampling technique is used *the algorithm used is valid for what is being modeled *it simulates the phenomenon in question.
Pseudo-random number sampling Non-uniform random variate generation or pseudo-random number sampling is the numerical practice of generating pseudo-random numbers (PRN) that follow a given probability distribution. Methods are typically based on the availability of a unifo ...
algorithms are used to transform uniformly distributed pseudo-random numbers into numbers that are distributed according to a given probability distribution.
Low-discrepancy sequences In mathematics, a low-discrepancy sequence is a sequence with the property that for all values of ''N'', its subsequence ''x''1, ..., ''x'N'' has a low discrepancy. Roughly speaking, the discrepancy of a sequence is low if the proportion of poi ...
are often used instead of random sampling from a space as they ensure even coverage and normally have a faster order of convergence than Monte Carlo simulations using random or pseudorandom sequences. Methods based on their use are called
quasi-Monte Carlo method In numerical analysis, the quasi-Monte Carlo method is a method for numerical integration and solving some other problems using low-discrepancy sequences (also called quasi-random sequences or sub-random sequences). This is in contrast to the regu ...
s. In an effort to assess the impact of random number quality on Monte Carlo simulation outcomes, astrophysical researchers tested cryptographically-secure pseudorandom numbers generated via Intel's RDRAND instruction set, as compared to those derived from algorithms, like the
Mersenne Twister The Mersenne Twister is a general-purpose pseudorandom number generator (PRNG) developed in 1997 by and . Its name derives from the fact that its period length is chosen to be a Mersenne prime. The Mersenne Twister was designed specifically to re ...
, in Monte Carlo simulations of radio flares from brown dwarfs. RDRAND is the closest pseudorandom number generator to a true random number generator. No statistically significant difference was found between models generated with typical pseudorandom number generators and RDRAND for trials consisting of the generation of 107 random numbers.


Monte Carlo simulation versus "what if" scenarios

There are ways of using probabilities that are definitely not Monte Carlo simulations – for example, deterministic modeling using single-point estimates. Each uncertain variable within a model is assigned a "best guess" estimate. Scenarios (such as best, worst, or most likely case) for each input variable are chosen and the results recorded. By contrast, Monte Carlo simulations sample from a probability distribution for each variable to produce hundreds or thousands of possible outcomes. The results are analyzed to get probabilities of different outcomes occurring. For example, a comparison of a spreadsheet cost construction model run using traditional "what if" scenarios, and then running the comparison again with Monte Carlo simulation and triangular probability distributions shows that the Monte Carlo analysis has a narrower range than the "what if" analysis. This is because the "what if" analysis gives equal weight to all scenarios (see quantifying uncertainty in corporate finance), while the Monte Carlo method hardly samples in the very low probability regions. The samples in such regions are called "rare events".


Applications

Monte Carlo methods are especially useful for simulating phenomena with significant
uncertainty Uncertainty refers to epistemic situations involving imperfect or unknown information. It applies to predictions of future events, to physical measurements that are already made, or to the unknown. Uncertainty arises in partially observable ...
in inputs and systems with many
coupled ''Coupled'' is an American dating game show that aired on Fox from May 17 to August 2, 2016. It was hosted by television personality, Terrence J and created by Mark Burnett, of '' Survivor'', ''The Apprentice'', '' Are You Smarter Than a 5th G ...
degrees of freedom. Areas of application include:


Physical sciences

Monte Carlo methods are very important in
computational physics Computational physics is the study and implementation of numerical analysis to solve problems in physics for which a quantitative theory already exists. Historically, computational physics was the first application of modern computers in science, ...
,
physical chemistry Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistica ...
, and related applied fields, and have diverse applications from complicated quantum chromodynamics calculations to designing heat shields and
aerodynamic Aerodynamics, from grc, ἀήρ ''aero'' (air) + grc, δυναμική (dynamics), is the study of the motion of air, particularly when affected by a solid object, such as an airplane wing. It involves topics covered in the field of fluid dyn ...
forms as well as in modeling radiation transport for radiation dosimetry calculations. In
statistical physics Statistical physics is a branch of physics that evolved from a foundation of statistical mechanics, which uses methods of probability theory and statistics, and particularly the mathematical tools for dealing with large populations and approxim ...
,
Monte Carlo molecular modeling Monte Carlo molecular modelling is the application of Monte Carlo methods to molecular problems. These problems can also be modelled by the molecular dynamics method. The difference is that this approach relies on equilibrium statistical mechanics ...
is an alternative to computational
molecular dynamics Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of t ...
, and Monte Carlo methods are used to compute statistical field theories of simple particle and polymer systems. Quantum Monte Carlo methods solve the many-body problem for quantum systems. In radiation materials science, the
binary collision approximation In condensed-matter physics, the binary collision approximation (BCA) is a heuristic used to more efficiently simulate the penetration depth and defect production by energetic ions (with kinetic energies in the kilo-electronvolt ( keV) range or ...
for simulating
ion implantation Ion implantation is a low-temperature process by which ions of one element are accelerated into a solid target, thereby changing the physical, chemical, or electrical properties of the target. Ion implantation is used in semiconductor device fa ...
is usually based on a Monte Carlo approach to select the next colliding atom. In experimental
particle physics Particle physics or high energy physics is the study of fundamental particles and forces that constitute matter and radiation. The fundamental particles in the universe are classified in the Standard Model as fermions (matter particles) an ...
, Monte Carlo methods are used for designing
detectors A sensor is a device that produces an output signal for the purpose of sensing a physical phenomenon. In the broadest definition, a sensor is a device, module, machine, or subsystem that detects events or changes in its environment and sends ...
, understanding their behavior and comparing experimental data to theory. In astrophysics, they are used in such diverse manners as to model both galaxy evolution and microwave radiation transmission through a rough planetary surface. Monte Carlo methods are also used in the ensemble models that form the basis of modern
weather forecasting Weather forecasting is the application of science and technology to predict the conditions of the atmosphere for a given location and time. People have attempted to predict the weather informally for millennia and formally since the 19th cent ...
.


Engineering

Monte Carlo methods are widely used in engineering for
sensitivity analysis Sensitivity analysis is the study of how the uncertainty in the output of a mathematical model or system (numerical or otherwise) can be divided and allocated to different sources of uncertainty in its inputs. A related practice is uncertainty anal ...
and quantitative probabilistic analysis in
process design In chemical engineering, process design is the choice and sequencing of units for desired physical and/or chemical transformation of materials. Process design is central to chemical engineering, and it can be considered to be the summit of that ...
. The need arises from the interactive, co-linear and non-linear behavior of typical process simulations. For example, * In microelectronics engineering, Monte Carlo methods are applied to analyze correlated and uncorrelated variations in
analog Analog or analogue may refer to: Computing and electronics * Analog signal, in which information is encoded in a continuous variable ** Analog device, an apparatus that operates on analog signals *** Analog electronics, circuits which use analog ...
and digital
integrated circuits An integrated circuit or monolithic integrated circuit (also referred to as an IC, a chip, or a microchip) is a set of electronic circuits on one small flat piece (or "chip") of semiconductor material, usually silicon. Large numbers of tiny ...
. * In
geostatistics Geostatistics is a branch of statistics focusing on spatial or spatiotemporal datasets. Developed originally to predict probability distributions of ore grades for mining operations, it is currently applied in diverse disciplines including p ...
and geometallurgy, Monte Carlo methods underpin the design of
mineral processing In the field of extractive metallurgy, mineral processing, also known as ore dressing, is the process of separating commercially valuable minerals from their ores. History Before the advent of heavy machinery the raw ore was broken up using ...
flowsheets and contribute to quantitative risk analysis. * In fluid dynamics, in particular rarefied gas dynamics, where the Boltzmann equation is solved for finite
Knudsen number The Knudsen number (Kn) is a dimensionless number defined as the ratio of the molecular mean free path length to a representative physical length scale. This length scale could be, for example, the radius of a body in a fluid. The number is name ...
fluid flows using the
direct simulation Monte Carlo Direct simulation Monte Carlo (DSMC) method uses probabilistic Monte Carlo simulation to solve the Boltzmann equation for finite Knudsen number fluid flows. The DSMC method was proposed by Graeme Bird, emeritus professor of aeronautics, Univer ...
method in combination with highly efficient computational algorithms. * In autonomous robotics, Monte Carlo localization can determine the position of a robot. It is often applied to stochastic filters such as the
Kalman filter For statistics and control theory, Kalman filtering, also known as linear quadratic estimation (LQE), is an algorithm that uses a series of measurements observed over time, including statistical noise and other inaccuracies, and produces estima ...
or
particle filter Particle filters, or sequential Monte Carlo methods, are a set of Monte Carlo algorithms used to solve filtering problems arising in signal processing and Bayesian statistical inference. The filtering problem consists of estimating the i ...
that forms the heart of the
SLAM Slam, SLAM or SLAMS may refer to: Arts, entertainment, and media Fictional elements * S.L.A.M. (Strategic Long-Range Artillery Machine), a fictional weapon in the ''G.I. Joe'' universe * SLAMS (Space-Land-Air Missile Shield), a fictional anti-ball ...
(simultaneous localization and mapping) algorithm. * In
telecommunications Telecommunication is the transmission of information by various types of technologies over wire, radio, optical, or other electromagnetic systems. It has its origin in the desire of humans for communication over a distance greater than that fe ...
, when planning a wireless network, design must be proved to work for a wide variety of scenarios that depend mainly on the number of users, their locations and the services they want to use. Monte Carlo methods are typically used to generate these users and their states. The network performance is then evaluated and, if results are not satisfactory, the network design goes through an optimization process. * In reliability engineering, Monte Carlo simulation is used to compute system-level response given the component-level response. * In signal processing and Bayesian inference,
particle filter Particle filters, or sequential Monte Carlo methods, are a set of Monte Carlo algorithms used to solve filtering problems arising in signal processing and Bayesian statistical inference. The filtering problem consists of estimating the i ...
s and sequential Monte Carlo techniques are a class of mean-field particle methods for sampling and computing the posterior distribution of a signal process given some noisy and partial observations using interacting
empirical measure In probability theory, an empirical measure is a random measure arising from a particular realization of a (usually finite) sequence of random variables. The precise definition is found below. Empirical measures are relevant to mathematical sta ...
s.


Climate change and radiative forcing

The Intergovernmental Panel on Climate Change relies on Monte Carlo methods in
probability density function In probability theory, a probability density function (PDF), or density of a continuous random variable, is a function whose value at any given sample (or point) in the sample space (the set of possible values taken by the random variable) ca ...
analysis of radiative forcing.


Computational biology

Monte Carlo methods are used in various fields of computational biology, for example for
Bayesian inference in phylogeny Bayesian inference of phylogeny combines the information in the prior and in the data likelihood to create the so-called posterior probability of trees, which is the probability that the tree is correct given the data, the prior and the likelihood ...
, or for studying biological systems such as genomes, proteins, or membranes. The systems can be studied in the coarse-grained or ''ab initio'' frameworks depending on the desired accuracy. Computer simulations allow us to monitor the local environment of a particular
molecule A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and bioche ...
to see if some
chemical reaction A chemical reaction is a process that leads to the IUPAC nomenclature for organic transformations, chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the pos ...
is happening for instance. In cases where it is not feasible to conduct a physical experiment,
thought experiment A thought experiment is a hypothetical situation in which a hypothesis, theory, or principle is laid out for the purpose of thinking through its consequences. History The ancient Greek ''deiknymi'' (), or thought experiment, "was the most anc ...
s can be conducted (for instance: breaking bonds, introducing impurities at specific sites, changing the local/global structure, or introducing external fields).


Computer graphics

Path tracing Path tracing is a computer graphics Monte Carlo method of rendering images of three-dimensional scenes such that the global illumination is faithful to reality. Fundamentally, the algorithm is integrating over all the illuminance arriving to ...
, occasionally referred to as Monte Carlo ray tracing, renders a 3D scene by randomly tracing samples of possible light paths. Repeated sampling of any given pixel will eventually cause the average of the samples to converge on the correct solution of the
rendering equation In computer graphics, the rendering equation is an integral equation in which the equilibrium radiance leaving a point is given as the sum of emitted plus reflected radiance under a geometric optics approximation. It was simultaneously introduc ...
, making it one of the most physically accurate 3D graphics rendering methods in existence.


Applied statistics

The standards for Monte Carlo experiments in statistics were set by Sawilowsky. In applied statistics, Monte Carlo methods may be used for at least four purposes: #To compare competing statistics for small samples under realistic data conditions. Although type I error and power properties of statistics can be calculated for data drawn from classical theoretical distributions (''e.g.'', normal curve,
Cauchy distribution The Cauchy distribution, named after Augustin Cauchy, is a continuous probability distribution. It is also known, especially among physicists, as the Lorentz distribution (after Hendrik Lorentz), Cauchy–Lorentz distribution, Lorentz(ian) fun ...
) for asymptotic conditions (''i. e'', infinite sample size and infinitesimally small treatment effect), real data often do not have such distributions. #To provide implementations of hypothesis tests that are more efficient than exact tests such as permutation tests (which are often impossible to compute) while being more accurate than critical values for asymptotic distributions. #To provide a random sample from the posterior distribution in Bayesian inference. This sample then approximates and summarizes all the essential features of the posterior. #To provide efficient random estimates of the Hessian matrix of the negative log-likelihood function that may be averaged to form an estimate of the
Fisher information In mathematical statistics, the Fisher information (sometimes simply called information) is a way of measuring the amount of information that an observable random variable ''X'' carries about an unknown parameter ''θ'' of a distribution that model ...
matrix. Monte Carlo methods are also a compromise between approximate randomization and permutation tests. An approximate randomization test is based on a specified subset of all permutations (which entails potentially enormous housekeeping of which permutations have been considered). The Monte Carlo approach is based on a specified number of randomly drawn permutations (exchanging a minor loss in precision if a permutation is drawn twice—or more frequently—for the efficiency of not having to track which permutations have already been selected).


Artificial intelligence for games

Monte Carlo methods have been developed into a technique called Monte-Carlo tree search that is useful for searching for the best move in a game. Possible moves are organized in a
search tree In computer science, a search tree is a tree data structure used for locating specific keys from within a set. In order for a tree to function as a search tree, the key for each node must be greater than any keys in subtrees on the left, and less ...
and many random simulations are used to estimate the long-term potential of each move. A black box simulator represents the opponent's moves. The Monte Carlo tree search (MCTS) method has four steps: #Starting at root node of the tree, select optimal child nodes until a leaf node is reached. #Expand the leaf node and choose one of its children. #Play a simulated game starting with that node. #Use the results of that simulated game to update the node and its ancestors. The net effect, over the course of many simulated games, is that the value of a node representing a move will go up or down, hopefully corresponding to whether or not that node represents a good move. Monte Carlo Tree Search has been used successfully to play games such as Go,
Tantrix ''Tantrix'' is a hexagonal tile-based abstract game invented by Mike McManaway from New Zealand. Each of the 56 different tiles in the set contains three lines, going from one edge of the tile to another. No two lines on a tile have the same ...
, Battleship, Havannah, and
Arimaa Arimaa () is a two-player strategy board game that was designed to be playable with a standard chess set and difficult for computers while still being easy to learn and fun to play for humans. It was invented in 2003 by Omar Syed, an Indian-Ame ...
.


Design and visuals

Monte Carlo methods are also efficient in solving coupled integral differential equations of radiation fields and energy transport, and thus these methods have been used in
global illumination Global illumination (GI), or indirect illumination, is a group of algorithms used in 3D computer graphics that are meant to add more realistic lighting to 3D scenes. Such algorithms take into account not only the light that comes directly fro ...
computations that produce photo-realistic images of virtual 3D models, with applications in
video game Video games, also known as computer games, are electronic games that involves interaction with a user interface or input device such as a joystick, controller, keyboard, or motion sensing device to generate visual feedback. This fee ...
s,
architecture Architecture is the art and technique of designing and building, as distinguished from the skills associated with construction. It is both the process and the product of sketching, conceiving, planning, designing, and constructing building ...
,
design A design is a plan or specification for the construction of an object or system or for the implementation of an activity or process or the result of that plan or specification in the form of a prototype, product, or process. The verb ''to design' ...
, computer generated films, and cinematic special effects.


Search and rescue

The US Coast Guard utilizes Monte Carlo methods within its computer modeling software SAROPS in order to calculate the probable locations of vessels during search and rescue operations. Each simulation can generate as many as ten thousand data points that are randomly distributed based upon provided variables. Search patterns are then generated based upon extrapolations of these data in order to optimize the probability of containment (POC) and the probability of detection (POD), which together will equal an overall probability of success (POS). Ultimately this serves as a practical application of probability distribution in order to provide the swiftest and most expedient method of rescue, saving both lives and resources.


Finance and business

Monte Carlo simulation is commonly used to evaluate the risk and uncertainty that would affect the outcome of different decision options. Monte Carlo simulation allows the business risk analyst to incorporate the total effects of uncertainty in variables like sales volume, commodity and labour prices, interest and exchange rates, as well as the effect of distinct risk events like the cancellation of a contract or the change of a tax law.
Monte Carlo methods in finance Monte Carlo methods are used in corporate finance and mathematical finance to value and analyze (complex) instruments, portfolios and investments by simulating the various sources of uncertainty affecting their value, and then determining the dis ...
are often used to evaluate investments in projects at a business unit or corporate level, or other financial valuations. They can be used to model project schedules, where simulations aggregate estimates for worst-case, best-case, and most likely durations for each task to determine outcomes for the overall projec

Monte Carlo methods are also used in option pricing, default risk analysis. Additionally, they can be used to estimate the financial impact of medical interventions.


Law

A Monte Carlo approach was used for evaluating the potential value of a proposed program to help female petitioners in Wisconsin be successful in their applications for Harassment Restraining Order, harassment and domestic abuse restraining orders. It was proposed to help women succeed in their petitions by providing them with greater advocacy thereby potentially reducing the risk of
rape Rape is a type of sexual assault usually involving sexual intercourse or other forms of sexual penetration carried out against a person without their consent. The act may be carried out by physical force, coercion, abuse of authority, or ...
and
physical assault An assault is the act of committing physical harm or unwanted physical contact upon a person or, in some specific legal definitions, a threat or attempt to commit such an action. It is both a crime and a tort and, therefore, may result in crim ...
. However, there were many variables in play that could not be estimated perfectly, including the effectiveness of restraining orders, the success rate of petitioners both with and without advocacy, and many others. The study ran trials that varied these variables to come up with an overall estimate of the success level of the proposed program as a whole.


Library science

Monte Carlo approach had also been used to simulate the number of book publications based on book
genre Genre () is any form or type of communication in any mode (written, spoken, digital, artistic, etc.) with socially-agreed-upon conventions developed over time. In popular usage, it normally describes a category of literature, music, or other for ...
in Malaysia. The Monte Carlo simulation utilized previous published National Book publication data and book's price according to book genre in the local market. The Monte Carlo results were used to determine what kind of book genre that Malaysians are fond of and was used to compare book publications between
Malaysia Malaysia ( ; ) is a country in Southeast Asia. The federation, federal constitutional monarchy consists of States and federal territories of Malaysia, thirteen states and three federal territories, separated by the South China Sea into two r ...
and Japan.


Use in mathematics

In general, the Monte Carlo methods are used in mathematics to solve various problems by generating suitable random numbers (see also
Random number generation Random number generation is a process by which, often by means of a random number generator (RNG), a sequence of numbers or symbols that cannot be reasonably predicted better than by random chance is generated. This means that the particular out ...
) and observing that fraction of the numbers that obeys some property or properties. The method is useful for obtaining numerical solutions to problems too complicated to solve analytically. The most common application of the Monte Carlo method is Monte Carlo integration.


Integration

Deterministic numerical integration algorithms work well in a small number of dimensions, but encounter two problems when the functions have many variables. First, the number of function evaluations needed increases rapidly with the number of dimensions. For example, if 10 evaluations provide adequate accuracy in one dimension, then 10100 points are needed for 100 dimensions—far too many to be computed. This is called the
curse of dimensionality The curse of dimensionality refers to various phenomena that arise when analyzing and organizing data in high-dimensional spaces that do not occur in low-dimensional settings such as the three-dimensional physical space of everyday experience. T ...
. Second, the boundary of a multidimensional region may be very complicated, so it may not be feasible to reduce the problem to an
iterated integral In multivariable calculus, an iterated integral is the result of applying integrals to a function of more than one variable (for example f(x,y) or f(x,y,z)) in a way that each of the integrals considers some of the variables as given constants. ...
. 100
dimension In physics and mathematics, the dimension of a mathematical space (or object) is informally defined as the minimum number of coordinates needed to specify any point within it. Thus, a line has a dimension of one (1D) because only one coor ...
s is by no means unusual, since in many physical problems, a "dimension" is equivalent to a
degree of freedom Degrees of freedom (often abbreviated df or DOF) refers to the number of independent variables or parameters of a thermodynamic system. In various scientific fields, the word "freedom" is used to describe the limits to which physical movement or ...
. Monte Carlo methods provide a way out of this exponential increase in computation time. As long as the function in question is reasonably
well-behaved In mathematics, when a mathematical phenomenon runs counter to some intuition, then the phenomenon is sometimes called pathological. On the other hand, if a phenomenon does not run counter to intuition, it is sometimes called well-behaved. Th ...
, it can be estimated by randomly selecting points in 100-dimensional space, and taking some kind of average of the function values at these points. By the
central limit theorem In probability theory, the central limit theorem (CLT) establishes that, in many situations, when independent random variables are summed up, their properly normalized sum tends toward a normal distribution even if the original variables themsel ...
, this method displays \scriptstyle 1/\sqrt convergence—i.e., quadrupling the number of sampled points halves the error, regardless of the number of dimensions. A refinement of this method, known as importance sampling in statistics, involves sampling the points randomly, but more frequently where the integrand is large. To do this precisely one would have to already know the integral, but one can approximate the integral by an integral of a similar function or use adaptive routines such as stratified sampling, recursive stratified sampling, adaptive umbrella sampling or the
VEGAS algorithm The VEGAS algorithm, due to G. Peter Lepage, is a method for variance reduction, reducing error in Monte Carlo simulations by using a known or approximate probability distribution function to concentrate the search in those areas of the integrand t ...
. A similar approach, the
quasi-Monte Carlo method In numerical analysis, the quasi-Monte Carlo method is a method for numerical integration and solving some other problems using low-discrepancy sequences (also called quasi-random sequences or sub-random sequences). This is in contrast to the regu ...
, uses
low-discrepancy sequence In mathematics, a low-discrepancy sequence is a sequence with the property that for all values of ''N'', its subsequence ''x''1, ..., ''x'N'' has a low discrepancy. Roughly speaking, the discrepancy of a sequence is low if the proportion of poi ...
s. These sequences "fill" the area better and sample the most important points more frequently, so quasi-Monte Carlo methods can often converge on the integral more quickly. Another class of methods for sampling points in a volume is to simulate random walks over it (
Markov chain Monte Carlo In statistics, Markov chain Monte Carlo (MCMC) methods comprise a class of algorithms for sampling from a probability distribution. By constructing a Markov chain that has the desired distribution as its equilibrium distribution, one can obtain ...
). Such methods include the Metropolis–Hastings algorithm, Gibbs sampling, Wang and Landau algorithm, and interacting type MCMC methodologies such as the sequential Monte Carlo samplers.


Simulation and optimization

Another powerful and very popular application for random numbers in numerical simulation is in numerical optimization. The problem is to minimize (or maximize) functions of some vector that often has many dimensions. Many problems can be phrased in this way: for example, a computer chess program could be seen as trying to find the set of, say, 10 moves that produces the best evaluation function at the end. In the traveling salesman problem the goal is to minimize distance traveled. There are also applications to engineering design, such as multidisciplinary design optimization. It has been applied with quasi-one-dimensional models to solve particle dynamics problems by efficiently exploring large configuration space. Reference is a comprehensive review of many issues related to simulation and optimization. The traveling salesman problem is what is called a conventional optimization problem. That is, all the facts (distances between each destination point) needed to determine the optimal path to follow are known with certainty and the goal is to run through the possible travel choices to come up with the one with the lowest total distance. However, let's assume that instead of wanting to minimize the total distance traveled to visit each desired destination, we wanted to minimize the total time needed to reach each destination. This goes beyond conventional optimization since travel time is inherently uncertain (traffic jams, time of day, etc.). As a result, to determine our optimal path we would want to use simulation - optimization to first understand the range of potential times it could take to go from one point to another (represented by a probability distribution in this case rather than a specific distance) and then optimize our travel decisions to identify the best path to follow taking that uncertainty into account.


Inverse problems

Probabilistic formulation of
inverse problem An inverse problem in science is the process of calculating from a set of observations the causal factors that produced them: for example, calculating an image in X-ray computed tomography, source reconstruction in acoustics, or calculating the ...
s leads to the definition of a probability distribution in the model space. This probability distribution combines prior information with new information obtained by measuring some observable parameters (data). As, in the general case, the theory linking data with model parameters is nonlinear, the posterior probability in the model space may not be easy to describe (it may be multimodal, some moments may not be defined, etc.). When analyzing an inverse problem, obtaining a maximum likelihood model is usually not sufficient, as we normally also wish to have information on the resolution power of the data. In the general case we may have many model parameters, and an inspection of the marginal probability densities of interest may be impractical, or even useless. But it is possible to pseudorandomly generate a large collection of models according to the posterior probability distribution and to analyze and display the models in such a way that information on the relative likelihoods of model properties is conveyed to the spectator. This can be accomplished by means of an efficient Monte Carlo method, even in cases where no explicit formula for the ''a priori'' distribution is available. The best-known importance sampling method, the Metropolis algorithm, can be generalized, and this gives a method that allows analysis of (possibly highly nonlinear) inverse problems with complex ''a priori'' information and data with an arbitrary noise distribution.


Philosophy

Popular exposition of the Monte Carlo Method was conducted by McCracken. Method's general philosophy was discussed by Elishakoff and Grüne-Yanoff and Weirich.Grüne-Yanoff, T., & Weirich, P. (2010). The philosophy and epistemology of simulation: A review, Simulation & Gaming, 41(1), pp. 20-50


See also

* Auxiliary field Monte Carlo * Biology Monte Carlo method * Direct simulation Monte Carlo * Dynamic Monte Carlo method * Ergodic_theory, Ergodicity * Genetic algorithms * Kinetic Monte Carlo * List of software for Monte Carlo molecular modeling * Mean-field particle methods * Monte Carlo method for photon transport * Monte Carlo methods for electron transport * Monte Carlo N-Particle Transport Code * Morris method * Multilevel Monte Carlo method * Quasi-Monte Carlo method * Sobol sequence * Temporal difference learning


References


Citations


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External links

* {{Authority control Monte Carlo methods, Numerical analysis Statistical mechanics Computational physics Sampling techniques Statistical approximations Stochastic simulation Randomized algorithms Risk analysis methodologies