<p>Let <i>X</i> be a chemical reaction process, modeled as a multi-dimensional continuous-time jump process. Assume that at given times <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11203_2025_9326_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="125" /> </InlineMediaObject> <EquationSource Format="TEX">\(0&lt; t_1&lt; \cdots &lt;t_n\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mn>0</mn> <mo>&lt;</mo> <msub> <mi>t</mi> <mn>1</mn> </msub> <mo>&lt;</mo> <mo>⋯</mo> <mo>&lt;</mo> <msub> <mi>t</mi> <mi>n</mi> </msub> </mrow> </math></EquationSource> </InlineEquation>, linear combinations <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11203_2025_9326_Article_IEq2.gif" Format="GIF" Height="19" Rendition="HTML" Resolution="72" Type="Linedraw" Width="186" /> </InlineMediaObject> <EquationSource Format="TEX">\(v_i = L_i X(t_i),\, i=1,\dots ,n\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msub> <mi>v</mi> <mi>i</mi> </msub> <mo>=</mo> <msub> <mi>L</mi> <mi>i</mi> </msub> <mi>X</mi> <mrow> <mo stretchy="false">(</mo> <msub> <mi>t</mi> <mi>i</mi> </msub> <mo stretchy="false">)</mo> </mrow> <mo>,</mo> <mspace width="0.166667em" /> <mi>i</mi> <mo>=</mo> <mn>1</mn> <mo>,</mo> <mo>⋯</mo> <mo>,</mo> <mi>n</mi> </mrow> </math></EquationSource> </InlineEquation> are observed for given matrices <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11203_2025_9326_Article_IEq3.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="19" /> </InlineMediaObject> <EquationSource Format="TEX">\(L_i\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mi>L</mi> <mi>i</mi> </msub> </math></EquationSource> </InlineEquation>. We show how the process that is conditioned on hitting the states <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11203_2025_9326_Article_IEq4.gif" Format="GIF" Height="12" Rendition="HTML" Resolution="72" Type="Linedraw" Width="70" /> </InlineMediaObject> <EquationSource Format="TEX">\(v_1,\dots , v_n\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msub> <mi>v</mi> <mn>1</mn> </msub> <mo>,</mo> <mo>⋯</mo> <mo>,</mo> <msub> <mi>v</mi> <mi>n</mi> </msub> </mrow> </math></EquationSource> </InlineEquation> is obtained by a change of measure on the law of the unconditioned process. This results in an algorithm for obtaining weighted samples from the conditioned process. Our results are illustrated by numerical simulations.</p>

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Guided simulation of conditioned chemical reaction networks

  • Marc Corstanje,
  • Frank van der Meulen

摘要

Let X be a chemical reaction process, modeled as a multi-dimensional continuous-time jump process. Assume that at given times \(0< t_1< \cdots <t_n\) 0 < t 1 < < t n , linear combinations \(v_i = L_i X(t_i),\, i=1,\dots ,n\) v i = L i X ( t i ) , i = 1 , , n are observed for given matrices \(L_i\) L i . We show how the process that is conditioned on hitting the states \(v_1,\dots , v_n\) v 1 , , v n is obtained by a change of measure on the law of the unconditioned process. This results in an algorithm for obtaining weighted samples from the conditioned process. Our results are illustrated by numerical simulations.