Mathematical Modeling and Biology Bo Deng Mathematical Modeling and Biology Introduction Examples of Models Bo Deng Consistency Model Test Mathematical Biology Department of Mathematics University of Nebraska – Lincoln Conclusion March 10, 2016 www.math.unl.edu/∼bdeng1 1 / 24 What is modeling? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 2 / 24 Mathematical modeling is to translate nature into mathematics What is modeling? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Mathematical modeling is to translate nature into mathematics Consistency Model Test Mathematical Biology Conclusion 2 / 24 to be logically consistent What is modeling? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Mathematical modeling is to translate nature into mathematics Consistency Model Test to be logically consistent Mathematical Biology to fit the past and to predict future Conclusion 2 / 24 What is modeling? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Mathematical modeling is to translate nature into mathematics Consistency Model Test to be logically consistent Mathematical Biology to fit the past and to predict future Conclusion to fail against the test of time, i.e. to give way to better models 2 / 24 Human history has two periods – before and after calculus (1686/1687) Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 3 / 24 Issac Newton (1642-1727) is the founding father of mathematical modeling Human history has two periods – before and after calculus (1686/1687) Mathematical Modeling and Biology Bo Deng Issac Newton (1642-1727) is the founding father of mathematical modeling Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 3 / 24 James Clerk Maxwell (1831-1879), Albert Einstein (1879-1955), Erwin Schrödinger (1887-1961), Claude Shannon (1916-2001) are some of the luminary disciples Human history has two periods – before and after calculus (1686/1687) Mathematical Modeling and Biology Bo Deng Issac Newton (1642-1727) is the founding father of mathematical modeling Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 3 / 24 James Clerk Maxwell (1831-1879), Albert Einstein (1879-1955), Erwin Schrödinger (1887-1961), Claude Shannon (1916-2001) are some of the luminary disciples Calculus is the principle language of nature Human history has two periods – before and after calculus (1686/1687) Mathematical Modeling and Biology Bo Deng Issac Newton (1642-1727) is the founding father of mathematical modeling Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion James Clerk Maxwell (1831-1879), Albert Einstein (1879-1955), Erwin Schrödinger (1887-1961), Claude Shannon (1916-2001) are some of the luminary disciples Calculus is the principle language of nature This century is the century of mathematical biology, which is to translate Charles Darwin’s (1809-1882) theory into mathematics 3 / 24 Model as approximation – Newton’s planetary motion Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 4 / 24 Planet ~r Sun ~r2 ~r1 ~r1 − ~r2 m1~r¨1 = −Gm1 m2 k~r1 − ~r2 k3 ~r2 − ~r1 m2~r¨2 = −Gm1 m2 k~r2 − ~r1 k3 ~r = ~r1 − ~r2 Model as approximation – Newton’s planetary motion Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Planet ~r Sun ~r2 ~r1 ~r1 − ~r2 m1~r¨1 = −Gm1 m2 k~r1 − ~r2 k3 ~r2 − ~r1 m2~r¨2 = −Gm1 m2 k~r2 − ~r1 k3 ~r = ~r1 − ~r2 A few calculus maneuvers lead to r(θ) = ρ 1 + cos θ with the eccentricity 0 ≤ < 1 for elliptic orbits 4 / 24 Special Relativity – Einstein’s model of space and time Mathematical Modeling and Biology Bo Deng Introduction One Assumption: The speed of light is constant for every stationary observer Examples of Models ȳ y Consistency Model Test v K K̄ Mathematical Biology Conclusion 0 5 / 24 0 x x̄ Special Relativity – Einstein’s model of space and time Mathematical Modeling and Biology Bo Deng Introduction One Assumption: The speed of light is constant for every stationary observer Examples of Models ȳ y Consistency Model Test v K K̄ Mathematical Biology Conclusion 0 0 x x̄ A few calculus maneuvers lead to E = mc2 , and more 5 / 24 Special Relativity — Einstein’s model of space and time Mathematical Modeling and Biology Bo Deng One Assumption: The speed of light is constant for every stationary observer Examples of Models Consistency ȳ y Introduction K ct Model Test L K̄ √ 2 2 [ c − v ]t = ct̄ Mathematical Biology Conclusion 6 / 24 0 vt 0 x x̄ Special Relativity — Einstein’s model of space and time Mathematical Modeling and Biology Bo Deng One Assumption: The speed of light is constant for every stationary observer Examples of Models Consistency ȳ y Introduction K ct Model Test L K̄ √ 2 2 [ c − v ]t = ct̄ Mathematical Biology Conclusion 0 vt 0 x x̄ Prediction: Time dilation for K-frame observer L L t= p > = t̄ 2 c c 1 − (v/c) 6 / 24 General Relativity — Model of space and time in acceleration Mathematical Modeling and Biology ȳ y Bo Deng v1 = a∆t + v0 Introduction c∆t Examples of Models Consistency Model Test Mathematical Biology c∆t v1 ∆t Conclusion v0 ∆t 7 / 24 x x̄ General Relativity — Model of space and time in acceleration Mathematical Modeling and Biology ȳ y Bo Deng v1 = a∆t + v0 Introduction c∆t Examples of Models Consistency Model Test Mathematical Biology c∆t v1 ∆t Conclusion v0 ∆t x x̄ Prediction: Light beam bends under acceleration or near massive bodies 7 / 24 Mathematical model need not be mathematical Mathematical Modeling and Biology Bo Deng Gregor Johann Mendel (1822-1884) found the first mathematical model in biology, leading to the discovery of gene Introduction Parent Genotype mrr × frr mrD × frD mDD × fDD mrr × frD or mrD × frr mrr × fDD or mDD × frr mrD × fDD or mDD × frD Examples of Models 1 0 0 1/4 1/2 1/4 0 0 1 1/2 1/2 0 0 1 0 0 1/2 1/2 Consistency Model Test Mathematical Biology Conclusion Offspring Genotype 0 zrr 0 zrD 0 zDD 8 / 24 One More Example: Structure of DNA by modeling Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Rosalind Franklin and Maurice Wilkins had the data, but James D. Watson and Francis Crick had the frame of mind to model the data (1953) 9 / 24 Another More – Predation in Ecology Mathematical Modeling and Biology The mathematical model was discovered by Crawford Stanley (Buzz) Holling (1930- ) in 1959 Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 10 / 24 Td — average time a predator takes to discover a prey Another More – Predation in Ecology Mathematical Modeling and Biology The mathematical model was discovered by Crawford Stanley (Buzz) Holling (1930- ) in 1959 Bo Deng Introduction Td — average time a predator takes to discover a prey Examples of Models Tk — average time a predator takes to kill a prey Consistency Model Test Mathematical Biology Conclusion 10 / 24 Another More – Predation in Ecology Mathematical Modeling and Biology The mathematical model was discovered by Crawford Stanley (Buzz) Holling (1930- ) in 1959 Bo Deng Introduction Td — average time a predator takes to discover a prey Examples of Models Tk — average time a predator takes to kill a prey Consistency Model Test Mathematical Biology Conclusion 10 / 24 Td,k = Td + Tk — average time a predator takes to discovery and kill a prey Another More – Predation in Ecology Mathematical Modeling and Biology The mathematical model was discovered by Crawford Stanley (Buzz) Holling (1930- ) in 1959 Bo Deng Introduction Td — average time a predator takes to discover a prey Examples of Models Tk — average time a predator takes to kill a prey Consistency Model Test Mathematical Biology Conclusion 10 / 24 Td,k = Td + Tk — average time a predator takes to discovery and kill a prey 1 — rate of discovery, i.e. number of preys a Rd = Td predator would find in a unit time 1 Rk = — rate of killing, i.e. number of preys a predator Tk would kill in a unit time 1 1 Rd,k = = — rate of discovery and killing Td,k Td + Tk Model of Predation in Ecology Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 11 / 24 And Holling’s predation function form: Rd,k = 1/Td Rd 1 = = Td + Tk 1 + Tk (1/Td ) 1 + Tk Rd Model of Predation in Ecology Mathematical Modeling and Biology And Holling’s predation function form: Bo Deng Rd,k = Introduction Examples of Models Consistency Model Test 1/Td Rd 1 = = Td + Tk 1 + Tk (1/Td ) 1 + Tk Rd Prediction: Assume the discovery rate is proportional to the prey population X, Rd = aX. Then the Holling Type II predation rate must saturate as X → ∞ Mathematical Biology aX 1 = X→∞ 1 + Tk aX Tk lim Rd,k = lim X→∞ Conclusion Rd,k 1 Tk 0 11 / 24 X Consistency Mathematical Modeling and Biology Bo Deng Not every piece of mathematics can be a physical law or model. Logical consistency is the first and necessary constraint Introduction Examples of Models Time Invariance Principle (TIP) Consistency A model must has the same functional form for every time independent observation Model Test Mathematical Biology Conclusion 12 / 24 Consistency Mathematical Modeling and Biology Bo Deng Not every piece of mathematics can be a physical law or model. Logical consistency is the first and necessary constraint Introduction Examples of Models Time Invariance Principle (TIP) Consistency A model must has the same functional form for every time independent observation Model Test Mathematical Biology Conclusion Newtonian mechanics is TIP-consistent: s t x(s, x0 ) x0 12 / 24 x(t + s, x0 ) = x(t, x(s, x0 )) Special Relativity is self-consistent Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 13 / 24 Let P be a point, having K = (x, y, z, t) coordinate in the K-frame and K̄ = (x̄, ȳ, z̄, t̄) coordinate in the K̄-frame. Then they are exchangeable via a linear transformation depending the speed v: K̄ = KL(v) Special Relativity is self-consistent Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Let P be a point, having K = (x, y, z, t) coordinate in the K-frame and K̄ = (x̄, ȳ, z̄, t̄) coordinate in the K̄-frame. Then they are exchangeable via a linear transformation depending the speed v: K̄ = KL(v) Consistency Model Test Mathematical Biology Conclusion Let K̃ = (x̃, ỹ, z̃, t̃) be the coordinate of the same point in a K̃-frame moving at speed u with respect to the K̄-frame. Then we have K̃ = K̄L(u) = KL(v)L(u) = KL(w) with w = 13 / 24 u+v 1 + uv c2 Special Relativity is self-consistent Mathematical Modeling and Biology Bo Deng Introduction Let P be a point, having K = (x, y, z, t) coordinate in the K-frame and K̄ = (x̄, ȳ, z̄, t̄) coordinate in the K̄-frame. Then they are exchangeable via a linear transformation depending the speed v: Examples of Models K̄ = KL(v) Consistency Model Test Mathematical Biology Conclusion Let K̃ = (x̃, ỹ, z̃, t̃) be the coordinate of the same point in a K̃-frame moving at speed u with respect to the K̄-frame. Then we have K̃ = K̄L(u) = KL(v)L(u) = KL(w) with w = u+v 1 + uv c2 u+v for elements u, v ∈ (−c, c) 1 + uv c2 defines a commutative group The operation u ⊕ v = 13 / 24 Holling’s predation model is consistent Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 14 / 24 Tc — average time to consume a prey Holling’s predation model is consistent Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 14 / 24 Tc — average time to consume a prey Td,k,c = Td + Tk + Tc — average time to discover, kill, and consume a prey Holling’s predation model is consistent Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Tc — average time to consume a prey Td,k,c = Td + Tk + Tc — average time to discover, kill, and consume a prey Then the rate of predation is self-consistent: Rd,k,c = Conclusion = 14 / 24 1 Td,k,c = 1 Td + Tk + Tc Rd,k Rd = 1 + Tc Rd,k 1 + (Tk + Tc )Rd Pay the TIP, or else Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 15 / 24 All differential equation models are TIP-consistent Pay the TIP, or else Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 15 / 24 All differential equation models are TIP-consistent Most mapping models in ecology are TIP-inconsistent Pay the TIP, or else Mathematical Modeling and Biology Bo Deng All differential equation models are TIP-consistent Most mapping models in ecology are TIP-inconsistent Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 15 / 24 Example: Logistic map xn+1 = Qλ (xn ) = λxn (1 − xn ) cannot be a model for which n represents time Pay the TIP, or else Mathematical Modeling and Biology Bo Deng All differential equation models are TIP-consistent Most mapping models in ecology are TIP-inconsistent Introduction Examples of Models Consistency Model Test Mathematical Biology Example: Logistic map xn+1 = Qλ (xn ) = λxn (1 − xn ) cannot be a model for which n represents time Conclusion The time n + 2 observation yields a different functional form: xn+2 = Qλ (xn+1 ) = Qλ (Qλ (xn )) 6= Qµ (xn ) for any value µ. Strike one on the logistic map 15 / 24 Model Test – Finding the Best Fit Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 16 / 24 x̄1 , . . . , x̄n — Observed states at time t1 , . . . , tn for a natural process which are modeled by competing models y(t; y0 , p) and z(t; z0 , q), respectively, with parameter p, q, and initial state y0 , z0 Model Test – Finding the Best Fit Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency x̄1 , . . . , x̄n — Observed states at time t1 , . . . , tn for a natural process which are modeled by competing models y(t; y0 , p) and z(t; z0 , q), respectively, with parameter p, q, and initial state y0 , z0 Model selection criterion: All else being equal whichever has a smaller error is the benchmark model by default: Model Test Mathematical Biology Conclusion Ey = min (y0 ,p) Ez = min (z0 ,q) 16 / 24 n X [y(ti ; y0 , p) − x̄i ]2 i=1 n X i=1 [z(ti ; z0 , q) − x̄i ]2 Model Test – Finding the Best Fit Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency x̄1 , . . . , x̄n — Observed states at time t1 , . . . , tn for a natural process which are modeled by competing models y(t; y0 , p) and z(t; z0 , q), respectively, with parameter p, q, and initial state y0 , z0 Model selection criterion: All else being equal whichever has a smaller error is the benchmark model by default: Model Test Mathematical Biology Conclusion Ey = min (y0 ,p) Ez = min (z0 ,q) 16 / 24 n X [y(ti ; y0 , p) − x̄i ]2 i=1 n X [z(ti ; z0 , q) − x̄i ]2 i=1 A parameter value is only meaningful to its model, and it can only be derived by best-fitting the observed data to the model Model Test – Fit the past, predict the future Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 17 / 24 Edmond Halley (1656-1742) used Newtonian mechanics to predict the 1758 return of Halley’s Comet, giving the comet its name Model Test – Fit the past, predict the future Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 17 / 24 Edmond Halley (1656-1742) used Newtonian mechanics to predict the 1758 return of Halley’s Comet, giving the comet its name Arthur Eddington (1882-1944) used the total solar eclipse of May 29, 1919 to confirm general relativity’s prediction for the bending of starlight by the Sun, making Einstein an instant world celebrity Model Test – Fit the past, predict the future Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 17 / 24 Edmond Halley (1656-1742) used Newtonian mechanics to predict the 1758 return of Halley’s Comet, giving the comet its name Arthur Eddington (1882-1944) used the total solar eclipse of May 29, 1919 to confirm general relativity’s prediction for the bending of starlight by the Sun, making Einstein an instant world celebrity Gregor Mendel’s Laws of Inheritance (1866) was rediscovered in 1900, ushering in the science of modern genetics Model Test – Fit the past, predict the future Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Edmond Halley (1656-1742) used Newtonian mechanics to predict the 1758 return of Halley’s Comet, giving the comet its name Arthur Eddington (1882-1944) used the total solar eclipse of May 29, 1919 to confirm general relativity’s prediction for the bending of starlight by the Sun, making Einstein an instant world celebrity Gregor Mendel’s Laws of Inheritance (1866) was rediscovered in 1900, ushering in the science of modern genetics Holling’s model of predation is ubiquitous in theoretical ecology 17 / 24 Mathematical Biology — To Translate Evolution to Mathematics Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 18 / 24 Example: One Life Rule Every organism lives only once and must die in any finite time in the presence of infinite population density Mathematical Biology — To Translate Evolution to Mathematics Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 18 / 24 Example: One Life Rule Every organism lives only once and must die in any finite time in the presence of infinite population density In math translation: Let xt be the population at time t. Then the per-capita change must satisfy xt − x0 xt = − 1 ≥ −1 x0 x0 Mathematical Biology — To Translate Evolution to Mathematics Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Example: One Life Rule Every organism lives only once and must die in any finite time in the presence of infinite population density In math translation: Let xt be the population at time t. Then the per-capita change must satisfy xt − x0 xt = − 1 ≥ −1 x0 x0 Lead to xt − x0 = −1 One Life Rule ⇐⇒ lim x0 →∞ x0 and to the logistic equation ẋ(t) = rx(t)[1 − x(t)/K] 18 / 24 with x(t) = xt , r the max per-capita growth rate, and K the carrying capacity Footnote: model or no model, generalization or relativism is often the problem Mathematical Modeling and Biology Bo Deng Strike two on the logistic map x1 = λx0 (1 − x0 ): Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 19 / 24 lim x0 →∞ x1 − x0 = lim [λ(1 − x0 ) − 1] = −∞ = 6 −1 x0 →∞ x0 Footnote: model or no model, generalization or relativism is often the problem Mathematical Modeling and Biology Bo Deng Strike two on the logistic map x1 = λx0 (1 − x0 ): Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 19 / 24 lim x0 →∞ x1 − x0 = lim [λ(1 − x0 ) − 1] = −∞ = 6 −1 x0 →∞ x0 While the logistic equation, x0 (t) = rx(t)(1 − x(t)/K), dogged another consistency bullet x(t; x0 ) − x0 K lim = lim − 1 = −1 x0 →∞ x0 + (K − x0 )e−rt x0 →∞ x0 Footnote: model or no model, generalization or relativism is often the problem Mathematical Modeling and Biology Bo Deng Strike two on the logistic map x1 = λx0 (1 − x0 ): Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion lim x0 →∞ x1 − x0 = lim [λ(1 − x0 ) − 1] = −∞ = 6 −1 x0 →∞ x0 While the logistic equation, x0 (t) = rx(t)(1 − x(t)/K), dogged another consistency bullet x(t; x0 ) − x0 K lim = lim − 1 = −1 x0 →∞ x0 + (K − x0 )e−rt x0 →∞ x0 There should be no different versions of the same reality, but refined approximations 19 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 20 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion The AT pair has one weak O-H bond but the GC pair has two O-H bonds. Hence, the GC pair takes longer to complete binding than the AT pair does 20 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 21 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Start with a conceptual model: DNA replication is a communication channel 21 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Start with a conceptual model: DNA replication is a communication channel Every communication is characterized by the transmission data rate in bits per second, i.e. the information entropy per second 21 / 24 One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 22 / 24 For 2n paired bases, the replication rate is R2n = log2 (2n) τ12 +τ34 +···+τ(2n−1)(2n) n in bits per time One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology For 2n paired bases, the replication rate is Bo Deng R2n = Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 22 / 24 If 5 3 ≤ τGC τAT log2 (2n) τ12 +τ34 +···+τ(2n−1)(2n) n ≤ 2.7, then: in bits per time max R2n = R4 n One More Example: Why DNA is coded in 4 bases? Mathematical Modeling and Biology For 2n paired bases, the replication rate is Bo Deng R2n = Introduction Examples of Models Consistency If 5 3 ≤ τGC τAT log2 (2n) τ12 +τ34 +···+τ(2n−1)(2n) n ≤ 2.7, then: in bits per time max R2n = R4 n Model Test Mathematical Biology Conclusion Punch Line: Life is a reality show on your DNA channel 22 / 24 Closing Comments Mathematical Modeling and Biology Bo Deng Mathematics is driven by open problems, but science is driven by existing solutions Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion Mathematical modeling is to find the equation to which nature fits as a solution Mathematics is to create more hays but modeling is to find the needle in haystack Mathematical biology is not to solve mathematical problems of models but to find mathematical models for biological problems Training to be a mathematical modeler does need to solve mathematical problems of reasonable models. 23 / 24 Mathematical Modeling and Biology Bo Deng Introduction Examples of Models Consistency Model Test Mathematical Biology Conclusion 24 / 24 Mathematical modeling is to construct the picture so that the consequence of the picture is the picture of the consequence. – Anonymous or by Heinrich Hertz (1857-1894)
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