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Stochastic Tunneling
In numerical analysis, stochastic tunneling (STUN) is an approach to global optimization based on the Monte Carlo method- sampling of the function to be objective minimized in which the function is nonlinearly transformed to allow for easier tunneling among regions containing function minima. Easier tunneling allows for faster exploration of sample space and faster convergence to a good solution. Idea image:stun.jpg, 400px, Schematic one-dimensional test function (black) and STUN effective potential (red & blue), where the minimum indicated by the arrows is the best minimum found so far. All Potential well, wells that lie above the best minimum found are suppressed. If the dynamical process can escape the well around the current minimum estimate it will not be trapped by other local minima that are higher. Wells with deeper minima are enhanced. The dynamical process is accelerated by that. Monte Carlo method-based optimization techniques sample the objective function by randomly ...
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Numerical Analysis
Numerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic computation, symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts. Current growth in computing power has enabled the use of more complex numerical analysis, providing detailed and realistic mathematical models in science and engineering. Examples of numerical analysis include: ordinary differential equations as found in celestial mechanics (predicting the motions of planets, stars and galaxies), numerical linear algebra in data analysis, and stochastic differential equations and Markov chains for simulating living ce ...
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Parallel Tempering
Parallel tempering in physics and statistics, is a computer simulation method typically used to find the lowest free energy state of a system of many interacting particles at low temperature. That is, the one expected to be observed in reality. It addresses the problem that at high temperature one may have a stable state different from low temperature, whereas simulations at low temperature may become "stuck" in a metastable state. It does this by using the fact that the high temperature simulation may visit states typical of both stable and metastable low temperature states. More specifically, parallel tempering (also known as replica exchange MCMC sampling), is a simulation method aimed at improving the dynamic properties of Monte Carlo method simulations of physical systems, and of Markov chain Monte Carlo (MCMC) sampling methods more generally. The replica exchange method was originally devised by Swendsen and Wang then extended by Geyer and later developed, among othe ...
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The Journal Of Chemical Physics
''The Journal of Chemical Physics'' is a scientific journal published by the American Institute of Physics that carries research papers on chemical physics."About the Journal"
from the ''Journal of Chemical Physics'' website.
Two volumes, each of 24 issues, are published annually. It was established in 1933 when '''' editors refused to publish theoretical works. The editors have been: *2019-present: Tim Lian *2008–2018: *2007–2008:
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Edward Teller
Edward Teller ( hu, Teller Ede; January 15, 1908 – September 9, 2003) was a Hungarian-American theoretical physicist who is known colloquially as "the father of the hydrogen bomb" (see the Teller–Ulam design), although he did not care for the title, considering it to be in poor taste. Throughout his life, Teller was known both for his scientific ability and for his difficult interpersonal relations and volatile personality. Born in Hungary in 1908, Teller emigrated to the United States in the 1930s, one of the many so-called "Martians", a group of prominent Hungarian scientist émigrés. He made numerous contributions to nuclear and molecular physics, spectroscopy (in particular the Jahn–Teller and Renner–Teller effects), and surface physics. His extension of Enrico Fermi's theory of beta decay, in the form of Gamow–Teller transitions, provided an important stepping stone in its application, while the Jahn–Teller effect and the Brunauer–Emmett–Teller (BE ...
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Marshall N
Marshall may refer to: Places Australia * Marshall, Victoria, a suburb of Geelong, Victoria Canada * Marshall, Saskatchewan * The Marshall, a mountain in British Columbia Liberia * Marshall, Liberia Marshall Islands * Marshall Islands, an island nation in the Pacific Ocean United States of America * Marshall, Alaska * Marshall, Arkansas * Marshall, California * Lotus, California, former name Marshall * Marshall Pass, a mountain pass in Colorado * Marshall, Illinois * Marshall, Indiana * Marshall, Michigan * Marshall, Minnesota * Marshall, Missouri * Marshall, New York * Marshall, North Carolina * Marshall, North Dakota * Marshall, Oklahoma * Marshall, Texas, the largest U.S. city named Marshall * Marshall, Virginia * Marshall, Wisconsin (other) ** Marshall, Dane County, Wisconsin ** Marshall, Richland County, Wisconsin ** Marshall, Rusk County, Wisconsin Businesses * Marshall of Cambridge, a British holding company encompassing aerospace, fleet management, propert ...
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Phys
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 relates to the order of nature, or, in other words, to the regular succession of events." Physics is one of the most fundamental scientific disciplines, with its main goal being to understand how the universe behaves. "Physics is one of the most fundamental of the sciences. Scientists of all disciplines use the ideas of physics, including chemists who study the structure of molecules, paleontologists who try to reconstruct how dinosaurs walked, and climatologists who study how human activities affect the atmosphere and oceans. Physics is also the foundation of all engineering and technology. No engineer could design a flat-screen TV, an interplanetary spacecraft, or even a better mousetrap without first understanding the basic laws of physics. (. ...
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Differential Evolution
In evolutionary computation, differential evolution (DE) is a method that optimizes a problem by iteratively trying to improve a candidate solution with regard to a given measure of quality. Such methods are commonly known as metaheuristics as they make few or no assumptions about the problem being optimized and can search very large spaces of candidate solutions. However, metaheuristics such as DE do not guarantee an optimal solution is ever found. DE is used for multidimensional real-valued functions but does not use the gradient of the problem being optimized, which means DE does not require the optimization problem to be differentiable, as is required by classic optimization methods such as gradient descent and quasi-newton methods. DE can therefore also be used on optimization problems that are not even continuous, are noisy, change over time, etc. DE optimizes a problem by maintaining a population of candidate solutions and creating new candidate solutions by combining ...
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Genetic Algorithm
In computer science and operations research, a genetic algorithm (GA) is a metaheuristic inspired by the process of natural selection that belongs to the larger class of evolutionary algorithms (EA). Genetic algorithms are commonly used to generate high-quality solutions to optimization and search problems by relying on biologically inspired operators such as mutation, crossover and selection. Some examples of GA applications include optimizing decision trees for better performance, solving sudoku puzzles, hyperparameter optimization, etc. Methodology Optimization problems In a genetic algorithm, a population of candidate solutions (called individuals, creatures, organisms, or phenotypes) to an optimization problem is evolved toward better solutions. Each candidate solution has a set of properties (its chromosomes or genotype) which can be mutated and altered; traditionally, solutions are represented in binary as strings of 0s and 1s, but other encodings are also possible. ...
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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. It is often used when the search space is discrete (for example the traveling salesman problem, the boolean satisfiability problem, protein structure prediction, and job-shop scheduling). For problems where finding an approximate global optimum is more important than finding a precise local optimum in a fixed amount of time, simulated annealing may be preferable to exact algorithms such as gradient descent or branch and bound. The name of the algorithm comes from annealing in metallurgy, a technique involving heating and controlled cooling of a material to alter its physical properties. Both are attributes of the material that depend on their thermodynamic free energy. Heating and cooling the material affects both the temperature and the the ...
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Global Optimization
Global optimization is a branch of applied mathematics and numerical analysis that attempts to find the global minima or maxima of a function or a set of functions on a given set. It is usually described as a minimization problem because the maximization of the real-valued function g(x) is equivalent to the minimization of the function f(x):=(-1)\cdot g(x). Given a possibly nonlinear and non-convex continuous function f:\Omega\subset\mathbb^n\to\mathbb with the global minima f^* and the set of all global minimizers X^* in \Omega, the standard minimization problem can be given as :\min_f(x), that is, finding f^* and a global minimizer in X^*; where \Omega is a (not necessarily convex) compact set defined by inequalities g_i(x)\geqslant0, i=1,\ldots,r. Global optimization is distinguished from local optimization by its focus on finding the minimum or maximum over the given set, as opposed to finding ''local'' minima or maxima. Finding an arbitrary local minimum is relatively str ...
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Detrended Fluctuation Analysis
In stochastic processes, chaos theory and time series analysis, detrended fluctuation analysis (DFA) is a method for determining the statistical self-affinity of a signal. It is useful for analysing time series that appear to be long-memory processes (diverging correlation time, e.g. power-law decaying autocorrelation function) or 1/f noise. The obtained exponent is similar to the Hurst exponent, except that DFA may also be applied to signals whose underlying statistics (such as mean and variance) or dynamics are non-stationary (changing with time). It is related to measures based upon spectral techniques such as autocorrelation and Fourier transform. Peng et al. introduced DFA in 1994 in a paper that has been cited over 3,000 times as of 2022 and represents an extension of the (ordinary) fluctuation analysis (FA), which is affected by non-stationarities. Calculation Consider a bounded time series x_t of length N, where t \in \mathbb, and let its mean value be denoted \langle x\ ...
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