import Mathlib import OAI.Probability.SKRatio.FiniteChain.Spin namespace OAI section noncomputable section open scoped BigOperators Topology Matrix open ContinuousLinearMap namespace SKRatio.Calculus abbrev Interaction (n : ℕ) := Fin n → Fin n → ℝ def spin {n : ℕ} (x : Spin n) (i : Fin n) : ℝ := if x i then 1 else -1 def replace {n : ℕ} (x : Spin n) (i : Fin n) (b : Bool) : Spin n := Function.update x i b noncomputable def halfDiff {n : ℕ} (i : Fin n) (f : Spin n → ℝ) (x : Spin n) : ℝ := (f (replace x i true) - f (replace x i false)) / 2 noncomputable def field {n : ℕ} (J : Interaction n) (x : Spin n) (i : Fin n) : ℝ := ∑ j, J i j * spin x j noncomputable def mean {n : ℕ} (J : Interaction n) (x : Spin n) (i : Fin n) : ℝ := Real.tanh (field J x i) noncomputable def generator {n : ℕ} (J : Interaction n) (f : Spin n → ℝ) (x : Spin n) : ℝ := ∑ j, (mean J x j - spin x j) * halfDiff j f x noncomputable def gradientGenerator {n : ℕ} (J : Interaction n) (p : Spin n → Fin n → ℝ) (x : Spin n) (i : Fin n) : ℝ := generator J (fun y => p y i) x - p x i - 2 * spin x i * ∑ j, halfDiff i (fun y => mean J y j) x * halfDiff j (fun y => p y i) x + ∑ j, halfDiff i (fun y => mean J y j) x * p x j @[simp] theorem replace_same {n : ℕ} (x : Spin n) (i : Fin n) (b : Bool) : replace x i b i = b := by simp [replace] @[simp] theorem replace_replace {n : ℕ} (x : Spin n) (i : Fin n) (a b : Bool) : replace (replace x i a) i b = replace x i b := by simp [replace, Function.update_idem] @[simp] theorem replace_self {n : ℕ} (x : Spin n) (i : Fin n) : replace x i (x i) = x := by simp [replace] theorem replace_comm {n : ℕ} (x : Spin n) {i j : Fin n} (h : i ≠ j) (a b : Bool) : replace (replace x i a) j b = replace (replace x j b) i a := by exact Function.update_comm h a b x @[simp] theorem halfDiff_replace {n : ℕ} (i : Fin n) (f : Spin n → ℝ) (x : Spin n) (b : Bool) : halfDiff i f (replace x i b) = halfDiff i f x := by simp [halfDiff] @[simp] theorem halfDiff_self {n : ℕ} (i : Fin n) (f : Spin n → ℝ) (x : Spin n) : halfDiff i (halfDiff i f) x = 0 := by simp [halfDiff] theorem halfDiff_mul {n : ℕ} (i : Fin n) (f g : Spin n → ℝ) (x : Spin n) : halfDiff i (fun y => f y * g y) x = f x * halfDiff i g x + g x * halfDiff i f x - 2 * spin x i * halfDiff i f x * halfDiff i g x := by have hx : replace x i (x i) = x := replace_self x i cases h : x i <;> simp only [h] at hx · simp only [halfDiff, spin, h, Bool.false_eq_true, ↓reduceIte] rw [hx] ring · simp only [halfDiff, spin, h, ↓reduceIte] rw [hx] ring theorem halfDiff_comm {n : ℕ} (i j : Fin n) (f : Spin n → ℝ) (x : Spin n) : halfDiff i (halfDiff j f) x = halfDiff j (halfDiff i f) x := by by_cases h : i = j · subst j rfl · simp only [halfDiff] rw [replace_comm x h true true, replace_comm x h true false, replace_comm x h false true, replace_comm x h false false] ring @[simp] theorem halfDiff_const {n : ℕ} (i : Fin n) (c : ℝ) (x : Spin n) : halfDiff i (fun _ => c) x = 0 := by simp [halfDiff] theorem halfDiff_sub {n : ℕ} (i : Fin n) (f g : Spin n → ℝ) (x : Spin n) : halfDiff i (fun y => f y - g y) x = halfDiff i f x - halfDiff i g x := by simp only [halfDiff] ring theorem halfDiff_sum {n : ℕ} {α : Type*} [Fintype α] (i : Fin n) (f : α → Spin n → ℝ) (x : Spin n) : halfDiff i (fun y => ∑ a, f a y) x = ∑ a, halfDiff i (f a) x := by simp only [halfDiff, sub_div, Finset.sum_sub_distrib, Finset.sum_div] @[simp] theorem halfDiff_spin {n : ℕ} (i j : Fin n) (x : Spin n) : halfDiff i (fun y => spin y j) x = if i = j then 1 else 0 := by by_cases h : i = j · subst j norm_num [halfDiff, spin] · simp [halfDiff, spin, replace, Function.update_of_ne (Ne.symm h), h] theorem halfDiff_generator {n : ℕ} (J : Interaction n) (f : Spin n → ℝ) (x : Spin n) (i : Fin n) : halfDiff i (generator J f) x = gradientGenerator J (fun y j => halfDiff j f y) x i := by change halfDiff i (fun y => generator J f y) x = _ unfold gradientGenerator simp only [generator, halfDiff_sum, halfDiff_mul, halfDiff_sub, halfDiff_spin] simp_rw [halfDiff_comm i] simp only [mul_sub, sub_mul, Finset.sum_add_distrib, Finset.sum_sub_distrib] simp only [mul_ite, mul_one, mul_zero, ite_mul, zero_mul, Fintype.sum_ite_eq, halfDiff_self, sub_zero] rw [Finset.mul_sum] simp only [mul_assoc] simp_rw [mul_comm (halfDiff _ f x)] ring abbrev Observables (n : ℕ) := Spin n → ℝ abbrev VectorFields (n : ℕ) := Spin n → Fin n → ℝ noncomputable def gradientLM (n : ℕ) : Observables n →ₗ[ℝ] VectorFields n where toFun f x i := halfDiff i f x map_add' f g := by funext x i simp only [halfDiff, Pi.add_apply] ring map_smul' a f := by funext x i simp only [halfDiff, Pi.smul_apply, smul_eq_mul, RingHom.id_apply] ring noncomputable def generatorLM {n : ℕ} (J : Interaction n) : Observables n →ₗ[ℝ] Observables n where toFun := generator J map_add' f g := by funext x simp only [generator] change (∑ j, (mean J x j - spin x j) * (gradientLM n (f + g) x j)) = _ simp [map_add, gradientLM, generator, mul_add, Finset.sum_add_distrib] map_smul' a f := by funext x simp only [generator] change (∑ j, (mean J x j - spin x j) * (gradientLM n (a • f) x j)) = _ simp [map_smul, gradientLM, generator, mul_left_comm, Finset.mul_sum] noncomputable def generatorCLM {n : ℕ} (J : Interaction n) : Observables n →L[ℝ] Observables n := (generatorLM J).toContinuousLinearMap noncomputable def semigroup {n : ℕ} (J : Interaction n) (t : ℝ) : Observables n →L[ℝ] Observables n := NormedSpace.exp (t • generatorCLM J) @[simp] lemma spin_sq {n : ℕ} (x : Spin n) (i : Fin n) : spin x i ^ 2 = 1 := by cases h : x i <;> simp [spin, h] lemma generator_mul {n : ℕ} (J : Interaction n) (f g : Observables n) (x : Spin n) : generator J (fun y => f y * g y) x = f x * generator J g x + g x * generator J f x + 2 * ∑ i, (1 - mean J x i * spin x i) * halfDiff i f x * halfDiff i g x := by simp only [generator, halfDiff_mul, Finset.mul_sum, ← Finset.sum_add_distrib] apply Finset.sum_congr rfl intro i _ have hx := spin_sq x i linear_combination 2 * halfDiff i f x * halfDiff i g x * hx lemma semigroup_hasDerivAt {n : ℕ} (J : Interaction n) (t : ℝ) : HasDerivAt (fun s : ℝ => semigroup J s) (semigroup J t * generatorCLM J) t := hasDerivAt_exp_smul_const (generatorCLM J) t lemma semigroup_hasDerivAt' {n : ℕ} (J : Interaction n) (t : ℝ) : HasDerivAt (fun s : ℝ => semigroup J s) (generatorCLM J * semigroup J t) t := hasDerivAt_exp_smul_const' (generatorCLM J) t lemma semigroup_apply_hasDerivAt {n : ℕ} (J : Interaction n) (f : Observables n) (t : ℝ) : HasDerivAt (fun s : ℝ => semigroup J s f) (semigroup J t (generator J f)) t := by simpa only [mul_apply_eq_comp, map_zero, add_zero, generatorCLM, generatorLM, LinearMap.coe_toContinuousLinearMap', LinearMap.coe_mk, AddHom.coe_mk] using (semigroup_hasDerivAt J t).clm_apply (hasDerivAt_const t f) lemma semigroup_apply_hasDerivAt' {n : ℕ} (J : Interaction n) (f : Observables n) (t : ℝ) : HasDerivAt (fun s : ℝ => semigroup J s f) (generator J (semigroup J t f)) t := by simpa only [mul_apply_eq_comp, map_zero, add_zero, generatorCLM, generatorLM, LinearMap.coe_toContinuousLinearMap', LinearMap.coe_mk, AddHom.coe_mk] using (semigroup_hasDerivAt' J t).clm_apply (hasDerivAt_const t f) lemma semigroup_continuous {n : ℕ} (J : Interaction n) : Continuous (fun s : ℝ => semigroup J s) := by have hd : Differentiable ℝ (fun s : ℝ => semigroup J s) := fun t => (semigroup_hasDerivAt J t).differentiableAt exact hd.continuous @[simp] lemma semigroup_zero {n : ℕ} (J : Interaction n) : semigroup J 0 = 1 := by simp [semigroup] noncomputable def jumpEnergy {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : ℝ := 2 * ∑ i, (1 - mean J x i * spin x i) * (halfDiff i f x) ^ 2 lemma generator_square {n : ℕ} (J : Interaction n) (f : Observables n) : generator J (fun x => f x ^ 2) = fun x => 2 * f x * generator J f x + jumpEnergy J f x := by funext x simpa only [pow_two, mul_assoc, ← two_mul, jumpEnergy] using generator_mul J f f x lemma spin_flip_self {n : ℕ} (x : Spin n) (i : Fin n) : spin (flip i x) i = -spin x i := by cases h : x i <;> simp [SKRatio.flip, spin, h] lemma spin_flip {n : ℕ} (x : Spin n) (i j : Fin n) : spin (flip i x) j = spin x j - if j = i then 2 * spin x i else 0 := by by_cases h : j = i · subst j; rw [spin_flip_self]; simp; ring · simp [flip, spin, h] lemma field_flip {n : ℕ} (J : Interaction n) (hdiag : ∀ i, J i i = 0) (x : Spin n) (i : Fin n) : field J (flip i x) i = field J x i := by simp only [field, spin_flip, mul_sub, Finset.sum_sub_distrib] simp [mul_ite, hdiag] lemma hamiltonian_flip {n : ℕ} (g : Disorder n) (x : Spin n) (i : Fin n) : hamiltonian g 0 (flip i x) = hamiltonian g 0 x - 2 * spin x i * field (coupling g) x i := by have hr : ∑ j, spin x j * coupling g j i = field (coupling g) x i := by simp only [field, coupling_symm, mul_comm] have he (y : Spin n) : hamiltonian g 0 y = (∑ j, ∑ k, spin y j * coupling g j k * spin y k) / 2 := by simp only [hamiltonian, Pi.zero_apply, zero_mul, Finset.sum_const_zero, add_zero] simp only [spinValue, spin] ring rw [he, he] simp only [spin_flip, sub_mul, mul_sub, Finset.sum_sub_distrib] simp only [mul_ite, ite_mul, mul_zero, zero_mul, Finset.sum_ite_irrel, Finset.sum_const_zero, Finset.sum_ite_eq', Finset.mem_univ, ↓reduceIte, coupling_diag] simp only [← Finset.sum_mul, hr] simp only [mul_assoc, ← Finset.mul_sum, field] ring lemma mass_flip {n : ℕ} (g : Disorder n) (x : Spin n) (i : Fin n) : mass g 0 (flip i x) = mass g 0 x * Real.exp (-2 * spin x i * field (coupling g) x i) := by unfold mass weight rw [hamiltonian_flip, Real.exp_sub, neg_mul, neg_mul, Real.exp_neg] ring lemma exp_two_mul_one_sub_tanh (a : ℝ) : Real.exp (2 * a) * (1 - Real.tanh a) = 1 + Real.tanh a := by rw [Real.tanh_eq, show 2 * a = a + a by ring, Real.exp_add, Real.exp_neg] have he := Real.exp_pos a field_simp nlinarith lemma exp_neg_two_mul_one_add_tanh (a : ℝ) : Real.exp (-2 * a) * (1 + Real.tanh a) = 1 - Real.tanh a := by simpa only [mul_neg, neg_mul, Real.tanh_neg, sub_neg_eq_add, sub_eq_add_neg, neg_neg] using exp_two_mul_one_sub_tanh (-a) def flipRate {n : ℕ} (J : Interaction n) (x : Spin n) (i : Fin n) : ℝ := (1 - spin x i * mean J x i) / 2 lemma mass_flip_ratio {n : ℕ} (g : Disorder n) (x : Spin n) (i : Fin n) : mass g 0 (flip i x) / (mass g 0 x + mass g 0 (flip i x)) = flipRate (coupling g) x i := by have hx := mass_pos g 0 x rw [mass_flip] have he := Real.exp_pos (-2 * spin x i * field (coupling g) x i) have hden : mass g 0 x + mass g 0 x * Real.exp (-2 * spin x i * field (coupling g) x i) ≠ 0 := by positivity apply (div_eq_iff hden).mpr cases hi : x i · have h := exp_two_mul_one_sub_tanh (field (coupling g) x i) simp only [flipRate, mean, spin, hi, Bool.false_eq_true, ↓reduceIte, mul_neg, mul_one, sub_neg_eq_add, neg_mul, neg_neg] linear_combination (mass g 0 x / 2) * h · have h := exp_neg_two_mul_one_add_tanh (field (coupling g) x i) simp only [flipRate, mean, spin, hi, ↓reduceIte, mul_one, one_mul] linear_combination (mass g 0 x / 2) * h lemma siteKernel_apply {n : ℕ} (g : Disorder n) (i : Fin n) (f : Observables n) (x : Spin n) : ∑ y, siteKernel g i x y * f y = f x + flipRate (coupling g) x i * (f (flip i x) - f x) := by have hd : mass g 0 x + mass g 0 (flip i x) ≠ 0 := (add_pos (mass_pos g 0 x) (mass_pos g 0 (flip i x))).ne' have hs : mass g 0 x / (mass g 0 x + mass g 0 (flip i x)) + mass g 0 (flip i x) / (mass g 0 x + mass g 0 (flip i x)) = 1 := by rw [← add_div, div_self hd] simp only [siteKernel, add_mul, Finset.sum_add_distrib, ite_mul, zero_mul, Finset.sum_ite_eq', Finset.mem_univ, ite_true] rw [← mass_flip_ratio] linear_combination f x * hs lemma generator_flip {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : generator J f x = ∑ i, flipRate J x i * (f (flip i x) - f x) := by apply Finset.sum_congr rfl intro i _ have hx := replace_self x i cases hi : x i <;> simp only [hi] at hx · simp only [spin, hi, Bool.false_eq_true, ↓reduceIte, flipRate, flip, Bool.not_false, halfDiff] rw [hx] simp only [replace] ring · simp only [spin, hi, ↓reduceIte, flipRate, flip, Bool.not_true, halfDiff] rw [hx] simp only [replace] ring theorem generator_eq_transition {n : ℕ} (g : Disorder n) (f : Observables n) (x : Spin n) : generator (coupling g) f x = (n : ℝ) * ((∑ y, transition g x y * f y) - f x) := by by_cases hn : n = 0 · subst n; simp [generator] have hn' : (n : ℝ) ≠ 0 := Nat.cast_ne_zero.mpr hn have hP : transition g = fun x y => (∑ i, siteKernel g i x y) / (n : ℝ) := by simp only [transition, hn, ↓reduceIte] rfl rw [hP] simp only [div_mul_eq_mul_div, ← Finset.sum_div] rw [mul_sub, mul_div_cancel₀ _ hn'] simp_rw [Finset.sum_mul] rw [Finset.sum_comm] simp_rw [siteKernel_apply] rw [Finset.sum_add_distrib] simp only [Finset.sum_const, Finset.card_univ, Fintype.card_fin, nsmul_eq_mul] rw [generator_flip] ring def unweightedGradient {n : ℕ} (f : Observables n) (x : Spin n) : ℝ := ∑ i, (halfDiff i f x) ^ 2 def gradientWeight {n : ℕ} (J : Interaction n) (x : Spin n) (i : Fin n) : ℝ := 1 - spin x i * mean J x i def weightedGradient {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : ℝ := ∑ i, gradientWeight J x i * (halfDiff i f x)^2 lemma variance_density {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : generator J (fun y => f y ^ 2) x - 2 * f x * generator J f x = 2 * weightedGradient J f x := by rw [generator_square] simp only [jumpEnergy, weightedGradient, gradientWeight, mul_comm (mean J x _)] ring lemma halfDiff_flow_hasDerivAt {n : ℕ} (J : Interaction n) (f : Observables n) (i : Fin n) (x : Spin n) (t : ℝ) : HasDerivAt (fun s : ℝ => halfDiff i (semigroup J s f) x) (halfDiff i (generator J (semigroup J t f)) x) t := by have h := semigroup_apply_hasDerivAt' J f t exact ((hasDerivAt_pi.mp h (replace x i true)).sub (hasDerivAt_pi.mp h (replace x i false))).div_const 2 lemma unweightedGradient_hasDerivAt {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) (t : ℝ) : HasDerivAt (fun s : ℝ => unweightedGradient (semigroup J s f) x) (∑ i, 2 * halfDiff i (semigroup J t f) x * halfDiff i (generator J (semigroup J t f)) x) t := by have hs := HasDerivAt.fun_sum (u := Finset.univ) (fun i _ => (halfDiff_flow_hasDerivAt J f i x t).pow 2) simpa only [unweightedGradient, Nat.cast_ofNat, Nat.reduceSub, pow_one, Pi.pow_apply] using hs lemma generator_unweightedGradient {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : generator J (unweightedGradient f) x = ∑ i, generator J (fun y => halfDiff i f y ^ 2) x := by have hu : unweightedGradient f = ∑ i, (fun y => halfDiff i f y ^ 2) := by funext y; simp only [unweightedGradient, Finset.sum_apply] rw [hu] change generatorLM J (∑ i, (fun y => halfDiff i f y ^ 2)) x = _ simp only [map_sum, Finset.sum_apply] rfl lemma unweightedGradient_commutator {n : ℕ} (J : Interaction n) (f : Observables n) (x : Spin n) : (1 / 2 : ℝ) * ((∑ i, 2 * halfDiff i f x * halfDiff i (generator J f) x) - generator J (unweightedGradient f) x) = -unweightedGradient f x + (∑ i, ∑ j, halfDiff i f x * halfDiff i (fun y => mean J y j) x * (halfDiff j f x - 2 * spin x i * halfDiff i (halfDiff j f) x)) - (∑ i, ∑ j, gradientWeight J x j * (halfDiff i (halfDiff j f) x)^2) := by rw [generator_unweightedGradient, ← Finset.sum_sub_distrib, Finset.mul_sum] have hloc (i : Fin n) : (1 / 2 : ℝ) * (2 * halfDiff i f x * halfDiff i (generator J f) x - generator J (fun y => halfDiff i f y ^ 2) x) = -(halfDiff i f x)^2 + (∑ j, halfDiff i f x * halfDiff i (fun y => mean J y j) x * (halfDiff j f x - 2 * spin x i * halfDiff i (halfDiff j f) x)) - ∑ j, gradientWeight J x j * (halfDiff i (halfDiff j f) x)^2 := by have hsum : (∑ j, halfDiff i f x * halfDiff i (fun y => mean J y j) x * (halfDiff j f x - 2 * spin x i * halfDiff i (halfDiff j f) x)) = halfDiff i f x * (∑ j, halfDiff i (fun y => mean J y j) x * halfDiff j f x) - 2 * halfDiff i f x * spin x i * (∑ j, halfDiff i (fun y => mean J y j) x * halfDiff i (halfDiff j f) x) := by simp only [Finset.mul_sum, ← Finset.sum_sub_distrib] apply Finset.sum_congr rfl intro j _ ring rw [hsum, halfDiff_generator, generator_square] simp only [gradientGenerator, jumpEnergy, gradientWeight] simp_rw [halfDiff_comm _ i, mul_comm (mean J x _)] ring simp_rw [hloc] simp only [Finset.sum_sub_distrib, Finset.sum_add_distrib, Finset.sum_neg_distrib, unweightedGradient] end SKRatio.Calculus end end end OAI