https://en.wikipedia.org/w/index.php?action=history&feed=atom&title=Gillespie_algorithmGillespie algorithm - Revision history2025-06-26T10:08:45ZRevision history for this page on the wikiMediaWiki 1.45.0-wmf.6https://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1297058383&oldid=prevOAbot: Open access bot: url-access=subscription updated in citation with #oabot.2025-06-23T22:53:13Z<p><a href="/wiki/Wikipedia:OABOT" class="mw-redirect" title="Wikipedia:OABOT">Open access bot</a>: url-access=subscription updated in citation with #oabot.</p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>{{Short description|Method for stochastic equation systems}}</div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>In [[probability theory]], the '''Gillespie algorithm''' (or the '''Doob–Gillespie algorithm''' or '''stochastic simulation algorithm''', the '''SSA''') generates a statistically correct trajectory (possible solution) of a [[stochastic]] equation system for which the [[reaction rates]] are known. It was created by [[Joseph L. Doob]] and others (circa 1945), presented by [[Dan Gillespie]] in 1976, and popularized in 1977 in a paper where he uses it to simulate chemical or biochemical systems of reactions efficiently and accurately using limited computational power (see [[stochastic simulation]]).<ref>{{Cite journal |last=Gillespie |first=Daniel T. |date=2007-05-01 |title=Stochastic Simulation of Chemical Kinetics |url=https://www.annualreviews.org/doi/10.1146/annurev.physchem.58.032806.104637 |journal=Annual Review of Physical Chemistry |language=en |volume=58 |issue=1 |pages=35–55 |doi=10.1146/annurev.physchem.58.032806.104637 |pmid=17037977 |bibcode=2007ARPC...58...35G |issn=0066-426X}}</ref> As computers have become faster, the algorithm has been used to simulate increasingly complex systems. The algorithm is particularly useful for simulating reactions within cells, where the number of [[reagent]]s is low and keeping track of every single reaction is computationally feasible. Mathematically, it is a variant of a [[dynamic Monte Carlo method]] and similar to the [[kinetic Monte Carlo]] methods. It is used heavily in [[computational systems biology]].{{citation needed|date=June 2012}}</div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>In [[probability theory]], the '''Gillespie algorithm''' (or the '''Doob–Gillespie algorithm''' or '''stochastic simulation algorithm''', the '''SSA''') generates a statistically correct trajectory (possible solution) of a [[stochastic]] equation system for which the [[reaction rates]] are known. It was created by [[Joseph L. Doob]] and others (circa 1945), presented by [[Dan Gillespie]] in 1976, and popularized in 1977 in a paper where he uses it to simulate chemical or biochemical systems of reactions efficiently and accurately using limited computational power (see [[stochastic simulation]]).<ref>{{Cite journal |last=Gillespie |first=Daniel T. |date=2007-05-01 |title=Stochastic Simulation of Chemical Kinetics |url=https://www.annualreviews.org/doi/10.1146/annurev.physchem.58.032806.104637 |journal=Annual Review of Physical Chemistry |language=en |volume=58 |issue=1 |pages=35–55 |doi=10.1146/annurev.physchem.58.032806.104637 |pmid=17037977 |bibcode=2007ARPC...58...35G |issn=0066-426X<ins style="font-weight: bold; text-decoration: none;">|url-access=subscription </ins>}}</ref> As computers have become faster, the algorithm has been used to simulate increasingly complex systems. The algorithm is particularly useful for simulating reactions within cells, where the number of [[reagent]]s is low and keeping track of every single reaction is computationally feasible. Mathematically, it is a variant of a [[dynamic Monte Carlo method]] and similar to the [[kinetic Monte Carlo]] methods. It is used heavily in [[computational systems biology]].{{citation needed|date=June 2012}}</div></td>
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</table>OAbothttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1271397011&oldid=prev37.171.162.41: This section had nothing to do with the Gillespie algorithm. The content of the section just refer to a model of chemical reactions where the Gillespie algorithm was used for simulations.2025-01-23T21:54:36Z<p>This section had nothing to do with the Gillespie algorithm. The content of the section just refer to a model of chemical reactions where the Gillespie algorithm was used for simulations.</p>
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</table>37.171.162.41https://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1232683932&oldid=prev73.165.53.153 at 01:43, 5 July 20242024-07-05T01:43:17Z<p></p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>In a reaction chamber, there are a finite number of molecules. At each infinitesimal slice of time, a single reaction might take place. The rate is determined by the number of molecules in each chemical species.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Naively, we can simulate the trajectory of the reaction chamber by discretizing time, then simulate each time-step. However, there might be long stretches of time where no reaction occurs. The Gillespie algorithm samples a random waiting time until ''some'' reaction occurs, then take another random sample to decide ''which'' reaction has occurred.<del style="font-weight: bold; text-decoration: none;"> Then it </del></div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Naively, we can simulate the trajectory of the reaction chamber by discretizing time, then simulate each time-step. However, there might be long stretches of time where no reaction occurs. The Gillespie algorithm samples a random waiting time until ''some'' reaction occurs, then take another random sample to decide ''which'' reaction has occurred.</div></td>
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</table>73.165.53.153https://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1230168188&oldid=prevCosmia Nebula: /* Idea behind the algorithm */ idea2024-06-21T02:59:02Z<p><span class="autocomment">Idea behind the algorithm: </span> idea</p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Later, Doob (1942, 1945) extended Feller's solutions beyond the case of pure-jump processes. The method was implemented in computers by [[David George Kendall]] (1950) using the [[Manchester Mark 1]] computer and later used by [[Maurice S. Bartlett]] (1953) in his studies of epidemics outbreaks. Gillespie (1977) obtains the algorithm in a different manner by making use of a physical argument.</div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Naively, we can simulate the trajectory of the reaction chamber by discretizing time, then simulate each time-step. However, there might be long stretches of time where no reaction occurs. The Gillespie algorithm samples a random waiting time until ''some'' reaction occurs, then take another random sample to decide ''which'' reaction has occurred. Then it </div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>=== Validity in biochemical simulations ===</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Traditional continuous and deterministic biochemical [[rate equation]]s do not accurately predict cellular reactions since they rely on bulk reactions that require the interactions of millions of molecules. They are typically modeled as a set of coupled ordinary differential equations. In contrast, the Gillespie algorithm allows a discrete and stochastic simulation of a system with few reactants because every reaction is explicitly simulated. A trajectory corresponding to a single Gillespie simulation represents an exact sample from the probability mass function that is the solution of the [[master equation]].</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Traditional continuous and deterministic biochemical [[rate equation]]s do not accurately predict cellular reactions since they rely on bulk reactions that require the interactions of millions of molecules. They are typically modeled as a set of coupled ordinary differential equations. In contrast, the Gillespie algorithm allows a discrete and stochastic simulation of a system with few reactants because every reaction is explicitly simulated. A trajectory corresponding to a single Gillespie simulation represents an exact sample from the probability mass function that is the solution of the [[master equation]].</div></td>
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</table>Cosmia Nebulahttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1227162628&oldid=prevInternetArchiveBot: Rescuing 1 sources and tagging 0 as dead.) #IABot (v2.0.9.52024-06-04T02:54:41Z<p>Rescuing 1 sources and tagging 0 as dead.) #IABot (v2.0.9.5</p>
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</table>InternetArchiveBothttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1224428056&oldid=prevLucasBrown: Adding short description: "Method for stochastic equation systems"2024-05-18T10:35:52Z<p>Adding <a href="/wiki/Wikipedia:Short_description" title="Wikipedia:Short description">short description</a>: "Method for stochastic equation systems"</p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>In [[probability theory]], the '''Gillespie algorithm''' (or the '''Doob–Gillespie algorithm''' or '''stochastic simulation algorithm''', the '''SSA''') generates a statistically correct trajectory (possible solution) of a [[stochastic]] equation system for which the [[reaction rates]] are known. It was created by [[Joseph L. Doob]] and others (circa 1945), presented by [[Dan Gillespie]] in 1976, and popularized in 1977 in a paper where he uses it to simulate chemical or biochemical systems of reactions efficiently and accurately using limited computational power (see [[stochastic simulation]]).<ref>{{Cite journal |last=Gillespie |first=Daniel T. |date=2007-05-01 |title=Stochastic Simulation of Chemical Kinetics |url=https://www.annualreviews.org/doi/10.1146/annurev.physchem.58.032806.104637 |journal=Annual Review of Physical Chemistry |language=en |volume=58 |issue=1 |pages=35–55 |doi=10.1146/annurev.physchem.58.032806.104637 |pmid=17037977 |bibcode=2007ARPC...58...35G |issn=0066-426X}}</ref> As computers have become faster, the algorithm has been used to simulate increasingly complex systems. The algorithm is particularly useful for simulating reactions within cells, where the number of [[reagent]]s is low and keeping track of every single reaction is computationally feasible. Mathematically, it is a variant of a [[dynamic Monte Carlo method]] and similar to the [[kinetic Monte Carlo]] methods. It is used heavily in [[computational systems biology]].{{citation needed|date=June 2012}}</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>In [[probability theory]], the '''Gillespie algorithm''' (or the '''Doob–Gillespie algorithm''' or '''stochastic simulation algorithm''', the '''SSA''') generates a statistically correct trajectory (possible solution) of a [[stochastic]] equation system for which the [[reaction rates]] are known. It was created by [[Joseph L. Doob]] and others (circa 1945), presented by [[Dan Gillespie]] in 1976, and popularized in 1977 in a paper where he uses it to simulate chemical or biochemical systems of reactions efficiently and accurately using limited computational power (see [[stochastic simulation]]).<ref>{{Cite journal |last=Gillespie |first=Daniel T. |date=2007-05-01 |title=Stochastic Simulation of Chemical Kinetics |url=https://www.annualreviews.org/doi/10.1146/annurev.physchem.58.032806.104637 |journal=Annual Review of Physical Chemistry |language=en |volume=58 |issue=1 |pages=35–55 |doi=10.1146/annurev.physchem.58.032806.104637 |pmid=17037977 |bibcode=2007ARPC...58...35G |issn=0066-426X}}</ref> As computers have become faster, the algorithm has been used to simulate increasingly complex systems. The algorithm is particularly useful for simulating reactions within cells, where the number of [[reagent]]s is low and keeping track of every single reaction is computationally feasible. Mathematically, it is a variant of a [[dynamic Monte Carlo method]] and similar to the [[kinetic Monte Carlo]] methods. It is used heavily in [[computational systems biology]].{{citation needed|date=June 2012}}</div></td>
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</table>LucasBrownhttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1221924696&oldid=prevMichael Hardy: /* Algorithm */2024-05-02T20:23:58Z<p><span class="autocomment">Algorithm</span></p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">Where</del> <math>\<del style="font-weight: bold; text-decoration: none;">nu_{j}</del></math> represents adding the <math>j^\text{th}</math> component of <del style="font-weight: bold; text-decoration: none;">your</del> given state-change vector <math>\nu</math>. This family of algorithms is computationally expensive and thus many modifications and adaptations exist, including the next reaction method (Gibson & Bruck), [[tau-leaping]], as well as hybrid techniques where abundant reactants are modeled with deterministic behavior. Adapted techniques generally compromise the exactitude of the theory behind the algorithm as it connects to the master equation, but offer reasonable realizations for greatly improved timescales. The computational cost of exact versions of the algorithm is determined by the coupling class of the reaction network. In weakly coupled networks, the number of reactions that is influenced by any other reaction is bounded by a small constant. In strongly coupled networks, a single reaction firing can in principle affect all other reactions. An exact version of the algorithm with constant-time scaling for weakly coupled networks has been developed, enabling efficient simulation of systems with very large numbers of reaction channels (Slepoy Thompson Plimpton 2008). The generalized Gillespie algorithm that accounts for the non-Markovian properties of random biochemical events with delay has been developed by Bratsun et al. 2005 and independently Barrio et al. 2006, as well as (Cai 2007). See the articles cited below for details.</div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">where</ins> <math>\<ins style="font-weight: bold; text-decoration: none;">nu_j</ins></math> represents adding the <math>j^\text{th}</math> component of <ins style="font-weight: bold; text-decoration: none;">the</ins> given state-change vector <math>\nu</math>. This family of algorithms is computationally expensive and thus many modifications and adaptations exist, including the next reaction method (Gibson & Bruck), [[tau-leaping]], as well as hybrid techniques where abundant reactants are modeled with deterministic behavior. Adapted techniques generally compromise the exactitude of the theory behind the algorithm as it connects to the master equation, but offer reasonable realizations for greatly improved timescales. The computational cost of exact versions of the algorithm is determined by the coupling class of the reaction network. In weakly coupled networks, the number of reactions that is influenced by any other reaction is bounded by a small constant. In strongly coupled networks, a single reaction firing can in principle affect all other reactions. An exact version of the algorithm with constant-time scaling for weakly coupled networks has been developed, enabling efficient simulation of systems with very large numbers of reaction channels (Slepoy Thompson Plimpton 2008). The generalized Gillespie algorithm that accounts for the non-Markovian properties of random biochemical events with delay has been developed by Bratsun et al. 2005 and independently Barrio et al. 2006, as well as (Cai 2007). See the articles cited below for details.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Partial-propensity formulations, as developed independently by both Ramaswamy et al. (2009, 2010) and Indurkhya and Beal (2010), are available to construct a family of exact versions of the algorithm whose computational cost is proportional to the number of chemical species in the network, rather than the (larger) number of reactions. These formulations can reduce the computational cost to constant-time scaling for weakly coupled networks and to scale at most linearly with the number of species for strongly coupled networks. A partial-propensity variant of the generalized Gillespie algorithm for reactions with delays has also been proposed (Ramaswamy Sbalzarini 2011). The use of partial-propensity methods is limited to elementary chemical reactions, i.e., reactions with at most two different reactants. Every non-elementary chemical reaction can be equivalently decomposed into a set of elementary ones, at the expense of a linear (in the order of the reaction) increase in network size.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Partial-propensity formulations, as developed independently by both Ramaswamy et al. (2009, 2010) and Indurkhya and Beal (2010), are available to construct a family of exact versions of the algorithm whose computational cost is proportional to the number of chemical species in the network, rather than the (larger) number of reactions. These formulations can reduce the computational cost to constant-time scaling for weakly coupled networks and to scale at most linearly with the number of species for strongly coupled networks. A partial-propensity variant of the generalized Gillespie algorithm for reactions with delays has also been proposed (Ramaswamy Sbalzarini 2011). The use of partial-propensity methods is limited to elementary chemical reactions, i.e., reactions with at most two different reactants. Every non-elementary chemical reaction can be equivalently decomposed into a set of elementary ones, at the expense of a linear (in the order of the reaction) increase in network size.</div></td>
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</table>Michael Hardyhttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1221919044&oldid=prevMichael Hardy: /* Algorithm */2024-05-02T19:39:26Z<p><span class="autocomment">Algorithm</span></p>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Where <math>\nu_{j}</math> represents adding the <math>j^{th}</math> component of your given state-change vector <math>\nu</math>. This family of algorithms is computationally expensive and thus many modifications and adaptations exist, including the next reaction method (Gibson & Bruck), [[tau-leaping]], as well as hybrid techniques where abundant reactants are modeled with deterministic behavior. Adapted techniques generally compromise the exactitude of the theory behind the algorithm as it connects to the master equation, but offer reasonable realizations for greatly improved timescales. The computational cost of exact versions of the algorithm is determined by the coupling class of the reaction network. In weakly coupled networks, the number of reactions that is influenced by any other reaction is bounded by a small constant. In strongly coupled networks, a single reaction firing can in principle affect all other reactions. An exact version of the algorithm with constant-time scaling for weakly coupled networks has been developed, enabling efficient simulation of systems with very large numbers of reaction channels (Slepoy Thompson Plimpton 2008). The generalized Gillespie algorithm that accounts for the non-Markovian properties of random biochemical events with delay has been developed by Bratsun et al. 2005 and independently Barrio et al. 2006, as well as (Cai 2007). See the articles cited below for details.</div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Where <math>\nu_{j}</math> represents adding the <math>j^<ins style="font-weight: bold; text-decoration: none;">\text</ins>{th}</math> component of your given state-change vector <math>\nu</math>. This family of algorithms is computationally expensive and thus many modifications and adaptations exist, including the next reaction method (Gibson & Bruck), [[tau-leaping]], as well as hybrid techniques where abundant reactants are modeled with deterministic behavior. Adapted techniques generally compromise the exactitude of the theory behind the algorithm as it connects to the master equation, but offer reasonable realizations for greatly improved timescales. The computational cost of exact versions of the algorithm is determined by the coupling class of the reaction network. In weakly coupled networks, the number of reactions that is influenced by any other reaction is bounded by a small constant. In strongly coupled networks, a single reaction firing can in principle affect all other reactions. An exact version of the algorithm with constant-time scaling for weakly coupled networks has been developed, enabling efficient simulation of systems with very large numbers of reaction channels (Slepoy Thompson Plimpton 2008). The generalized Gillespie algorithm that accounts for the non-Markovian properties of random biochemical events with delay has been developed by Bratsun et al. 2005 and independently Barrio et al. 2006, as well as (Cai 2007). See the articles cited below for details.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Partial-propensity formulations, as developed independently by both Ramaswamy et al. (2009, 2010) and Indurkhya and Beal (2010), are available to construct a family of exact versions of the algorithm whose computational cost is proportional to the number of chemical species in the network, rather than the (larger) number of reactions. These formulations can reduce the computational cost to constant-time scaling for weakly coupled networks and to scale at most linearly with the number of species for strongly coupled networks. A partial-propensity variant of the generalized Gillespie algorithm for reactions with delays has also been proposed (Ramaswamy Sbalzarini 2011). The use of partial-propensity methods is limited to elementary chemical reactions, i.e., reactions with at most two different reactants. Every non-elementary chemical reaction can be equivalently decomposed into a set of elementary ones, at the expense of a linear (in the order of the reaction) increase in network size.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Partial-propensity formulations, as developed independently by both Ramaswamy et al. (2009, 2010) and Indurkhya and Beal (2010), are available to construct a family of exact versions of the algorithm whose computational cost is proportional to the number of chemical species in the network, rather than the (larger) number of reactions. These formulations can reduce the computational cost to constant-time scaling for weakly coupled networks and to scale at most linearly with the number of species for strongly coupled networks. A partial-propensity variant of the generalized Gillespie algorithm for reactions with delays has also been proposed (Ramaswamy Sbalzarini 2011). The use of partial-propensity methods is limited to elementary chemical reactions, i.e., reactions with at most two different reactants. Every non-elementary chemical reaction can be equivalently decomposed into a set of elementary ones, at the expense of a linear (in the order of the reaction) increase in network size.</div></td>
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</table>Michael Hardyhttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1221918923&oldid=prevMichael Hardy: /* Algorithm */2024-05-02T19:38:33Z<p><span class="autocomment">Algorithm</span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:38, 2 May 2024</td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>:<math>\tau = \frac{1}{\sum_{j}a_{j}(\boldsymbol{x})}\log\left(\frac{1}{r_{1}}\right),</math></div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>and </div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>and </div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>:<math>j =</math><del style="font-weight: bold; text-decoration: none;"> </del>the smallest integer satisfying <math>\sum_{j'=1}^j a_{j'}(\boldsymbol{x}) > r_2 \sum_j a_j (\boldsymbol{x}).</math></div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>:<math>j =<ins style="font-weight: bold; text-decoration: none;">{}</ins></math>the smallest integer satisfying <math>\sum_{j'=1}^j a_{j'}(\boldsymbol{x}) > r_2 \sum_j a_j (\boldsymbol{x}).</math></div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Utilizing this generating method for the sojourn time and next reaction, the direct method algorithm is stated by Gillespie as</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Utilizing this generating method for the sojourn time and next reaction, the direct method algorithm is stated by Gillespie as</div></td>
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</table>Michael Hardyhttps://en.wikipedia.org/w/index.php?title=Gillespie_algorithm&diff=1221918469&oldid=prevMichael Hardy: /* Reversible binding of A and B to form AB dimers */2024-05-02T19:35:24Z<p><span class="autocomment">Reversible binding of A and B to form AB dimers</span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:35, 2 May 2024</td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The total reaction rate, <math>R_\mathrm{TOT}</math>, at time ''t'' is then given by</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The total reaction rate, <math>R_\mathrm{TOT}</math>, at time ''t'' is then given by</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><math>R_\mathrm{TOT}=k_\mathrm{D}n_\mathrm{A}n_\mathrm{B}+k_\mathrm{B}n_\mathrm{AB}</math></div></td>
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<td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">: </ins><math>R_\mathrm{TOT}=k_\mathrm{D}n_\mathrm{A}n_\mathrm{B}+k_\mathrm{B}n_\mathrm{AB}</math></div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br /></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>So, we have now described a simple model with two reactions. This definition is independent of the Gillespie algorithm. We will now describe how to apply the Gillespie algorithm to this system.</div></td>
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<td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>So, we have now described a simple model with two reactions. This definition is independent of the Gillespie algorithm. We will now describe how to apply the Gillespie algorithm to this system.</div></td>
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</table>Michael Hardy