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; Copyright (C) 1998-2009, Steven G. Johnson
;
; This library is free software; you can redistribute it and/or
; modify it under the terms of the GNU Lesser General Public
; License as published by the Free Software Foundation; either
; version 2 of the License, or (at your option) any later version.
;
; This library is distributed in the hope that it will be useful,
; but WITHOUT ANY WARRANTY; without even the implied warranty of
; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
; Lesser General Public License for more details.
;
; You should have received a copy of the GNU Lesser General Public
; License along with this library; if not, write to the
; Free Software Foundation, Inc., 59 Temple Place - Suite 330,
; Boston, MA 02111-1307, USA.
;
; Steven G. Johnson can be contacted at stevenj@alum.mit.edu.
; ****************************************************************
; Miscellaneous math utilities
; Return the arithmetic sequence (list): start start+step ... (n values)
(define (arith-sequence start step n)
(define (s x n L) ; tail-recursive helper function
(if (= n 0)
L
(s (binary+ x step) (- n 1) (cons x L))))
(reverse (s start n '())))
; Given a list of numbers, linearly interpolates n values between
; each pair of numbers.
(define (interpolate n nums)
(cons
(car nums)
(fold-right
append '()
(map
(lambda (x y)
(reverse (arith-sequence y (binary/ (binary- x y) (+ n 1)) (+ n 1))))
(reverse (cdr (reverse nums))) ; nums w/o last value
(cdr nums))))) ; nums w/o first value
; Like interpolate, except only interpolates n values *on average*
; between each pair of numbers. The actual number of interpolated
; points varies for each pair to try to keep the density of points
; uniform.
(define (interpolate-uniform n nums)
(define meandiff
(/ (fold-left + 0 (map unary-abs (map binary- (cdr nums)
(reverse (cdr (reverse nums))))))
(length (cdr nums))))
(if (zero? n)
nums
(cons
(car nums)
(fold-right
append '()
(map
(lambda (x y)
(let ((m (inexact->exact
(+ -0.5 (* (+ n 1) (/ (unary-abs (binary- x y))
meandiff))))))
(reverse (arith-sequence y (binary/ (binary- x y) (+ m 1))
(+ m 1)))))
(reverse (cdr (reverse nums))) ; nums w/o last value
(cdr nums)))))) ; nums w/o first value
; ****************************************************************
; Minimization and root-finding utilities (useful in ctl scripts)
; The routines are:
; minimize: minimize a function of one argument
; minimize-multiple: minimize a function of multiple arguments
; maximize, maximize-multiple : as above, but maximize
; find-root: find the root of a function of one argument
; All routines use quadratically convergent methods.
; ****************************************************************
(define min-arg car)
(define min-val cdr)
(define max-arg min-arg)
(define max-val min-val)
; One-dimensional minimization (using Brent's method):
; (minimize f tol) : minimize (f x) with fractional tolerance tol
; (minimize f tol guess) : as above, but gives starting guess
; (minimize f tol x-min x-max) : as above, but gives range to optimize in
; (this is preferred)
; All variants return a result that contains both the argument and the
; value of the function at its minimum.
; (min-arg result) : the argument of the function at its minimum
; (min-val result) : the value of the function at its minimum
(define (minimize f tol . min-max)
(define (midpoint a b) (* 0.5 (+ a b)))
(define (quadratic-min-denom x a b fx fa fb)
(magnitude (* 2.0 (- (* (- x a) (- fx fb)) (* (- x b) (- fx fa))))))
(define (quadratic-min-num x a b fx fa fb)
(let ((den (* 2.0 (- (* (- x a) (- fx fb)) (* (- x b) (- fx fa)))))
(num (- (* (- x a) (- x a) (- fx fb))
(* (- x b) (- x b) (- fx fa)))))
(if (> den 0) (- num) num)))
(define (tol-scale x) (* tol (+ (magnitude x) 1e-6)))
(define (converged? x a b)
(<= (magnitude (- x (midpoint a b))) (- (* 2 (tol-scale x)) (* 0.5 (- b a)))))
(define golden-ratio (* 0.5 (- 3 (sqrt 5))))
(define (golden-interpolate x a b)
(* golden-ratio (if (>= x (midpoint a b)) (- a x) (- b x))))
(define (sign x) (if (< x 0) -1 1))
(define (brent-minimize x a b v w fx fv fw prev-step prev-prev-step)
(define (guess-step proposed-step)
(let ((step (if (> (magnitude proposed-step) (tol-scale x))
proposed-step
(* (tol-scale x) (sign proposed-step)))))
(let ((u (+ x step)))
(let ((fu (f u)))
(if (<= fu fx)
(if (> u x)
(brent-minimize u x b w x fu fw fx step prev-step)
(brent-minimize u a x w x fu fw fx step prev-step))
(let ((new-a (if (< u x) u a))
(new-b (if (< u x) b u)))
(if (or (<= fu fw) (= w x))
(brent-minimize x new-a new-b w u fx fw fu
step prev-step)
(if (or (<= fu fv) (= v x) (= v w))
(brent-minimize x new-a new-b u w fx fu fw
step prev-step)
(brent-minimize x new-a new-b v w fx fv fw
step prev-step)))))))))
(if (converged? x a b)
(cons x fx)
(if (> (magnitude prev-prev-step) (tol-scale x))
(let ((p (quadratic-min-num x v w fx fv fw))
(q (quadratic-min-denom x v w fx fv fw)))
(if (or (>= (magnitude p) (magnitude (* 0.5 q prev-prev-step)))
(< p (* q (- a x))) (> p (* q (- b x))))
(guess-step (golden-interpolate x a b))
(guess-step (/ p q))))
(guess-step (golden-interpolate x a b)))))
(define (bracket-minimum a b c fa fb fc)
(if (< fb fc)
(list a b c fa fb fc)
(let ((u (/ (quadratic-min-num b a c fb fa fc)
(max (quadratic-min-denom b a c fb fa fc) 1e-20)))
(u-max (+ b (* 100 (- c b)))))
(cond
((positive? (* (- b u) (- u c)))
(let ((fu (f u)))
(if (< fu fc)
(bracket-minimum b u c fb fu fc)
(if (> fu fb)
(bracket-minimum a b u fa fb fu)
(bracket-minimum b c (+ c (* 1.6 (- c b)))
fb fc (f (+ c (* 1.6 (- c b)))))))))
((positive? (* (- c u) (- u u-max)))
(let ((fu (f u)))
(if (< fu fc)
(bracket-minimum c u (+ c (* 1.6 (- c b)))
fc fu (f (+ c (* 1.6 (- c b)))))
(bracket-minimum b c u fb fc fu))))
((>= (* (- u u-max) (- u-max c)) 0)
(bracket-minimum b c u-max fb fc (f u-max)))
(else
(bracket-minimum b c (+ c (* 1.6 (- c b)))
fb fc (f (+ c (* 1.6 (- c b))))))))))
(if (= (length min-max) 2)
(let ((x-min (first min-max))
(x-max (second min-max)))
(let ((xm (midpoint x-min x-max)))
(let ((fm (f xm)))
(brent-minimize xm x-min x-max xm xm fm fm fm 0 0))))
(let ((a (if (= (length min-max) 1) (first min-max) 1.0)))
(let ((b (if (= a 0) 1.0 0)))
(let ((fa (f a)) (fb (f b)))
(let ((aa (if (> fb fa) b a))
(bb (if (> fb fa) a b))
(faa (max fa fb))
(fbb (max fa fb)))
(let ((bracket
(bracket-minimum aa bb (+ bb (* 1.6 (- bb aa)))
faa fbb (f (+ bb (* 1.6 (- bb aa)))))))
(brent-minimize
(second bracket)
(min (first bracket) (third bracket))
(max (first bracket) (third bracket))
(first bracket)
(third bracket)
(fifth bracket)
(fourth bracket)
(sixth bracket)
0 0))))))))
; ****************************************************************
; (minimize-multiple f tol arg1 arg2 ... argN) :
; Minimize a function f of N arguments, given the fractional tolerance
; desired and initial guesses for the arguments.
;
; (min-arg result) : list of argument values at the minimum
; (min-val result) : list of function values at the minimum
(define (minimize-multiple-expert f tol max-iters fmin guess-args arg-scales)
(let ((best-val 1e20) (best-args '()))
(subplex
(lambda (args)
(let ((val (apply f args)))
(if (or (null? best-args) (< val best-val))
(begin
(print "extremization: best so far is "
val " at " args "\n")
(set! best-val val)
(set! best-args args)))
val))
guess-args tol max-iters
(if fmin fmin 0.0) (if fmin true false)
arg-scales)))
(define (minimize-multiple f tol . guess-args)
(minimize-multiple-expert f tol 999999999 false guess-args '(0.1)))
; Yet another alternate multi-dimensional minimization (Simplex algorithm).
(define (simplex-minimize-multiple f tol . guess-args)
(let ((simplex-result (simplex-minimize f guess-args tol)))
(cons (simplex-point-x simplex-result)
(simplex-point-val simplex-result))))
; Alternate multi-dimensional minimization (using Powell's method):
; (not the default since it seems to have convergence problems sometimes)
(define (powell-minimize-multiple f tol . guess-args)
(define (create-unit-vector i n)
(let ((v (make-vector n 0)))
(vector-set! v i 1)
v))
(define (initial-directions n)
(make-initialized-list n (lambda (i) (create-unit-vector i n))))
(define (v- v1 v2) (vector-map - v1 v2))
(define (v+ v1 v2) (vector-map + v1 v2))
(define (v* s v) (vector-map (lambda (x) (* s x)) v))
(define (v-dot v1 v2) (vector-fold-right + 0 (vector-map * v1 v2)))
(define (v-norm v) (sqrt (v-dot v v)))
(define (unit-v v) (v* (/ (v-norm v)) v))
(define (fv v) (apply f (vector->list v)))
(define guess-vector (list->vector guess-args))
(define (f-dir p0 dir) (lambda (x) (fv (v+ p0 (v* x dir)))))
(define (minimize-dir p0 dir)
(let ((min-result (minimize (f-dir p0 dir) tol)))
(cons
(v+ p0 (v* (min-arg min-result) dir))
(min-val min-result))))
(define (minimize-dirs p0 dirs)
(if (null? dirs)
(cons p0 '())
(let ((min-result (minimize-dir p0 (car dirs))))
(let ((min-results (minimize-dirs (min-arg min-result) (cdr dirs))))
(cons (min-arg min-results)
(cons (min-val min-result) (min-val min-results)))))))
(define (replace= val vals els el)
(if (null? els) '()
(if (= (car vals) val)
(cons el (cdr els))
(cons (car els) (replace= val (cdr vals) (cdr els) el)))))
; replace direction where largest decrease occurred:
(define (update-dirs decreases dirs p0 p)
(replace= (apply max decreases) decreases dirs (v- p p0)))
(define (minimize-aux p0 fp0 dirs)
(let ((min-results (minimize-dirs p0 dirs)))
(let ((decreases (map (lambda (val) (- fp0 val)) (min-val min-results)))
(p (min-arg min-results))
(fp (first (reverse (min-val min-results)))))
(if (<= (v-norm (v- p p0))
(* tol 0.5 (+ (v-norm p) (v-norm p0) 1e-20)))
(cons (vector->list p) fp)
(let ((min-result (minimize-dir p (v- p p0))))
(minimize-aux (min-arg min-result) (min-val min-result)
(update-dirs decreases dirs p0 p)))))))
(minimize-aux guess-vector (fv guess-vector)
(initial-directions (length guess-args))))
; Maximization variants of the minimize functions:
(define (maximize f tol . min-max)
(let ((result (apply minimize (append (list (compose - f) tol) min-max))))
(cons (min-arg result) (- (min-val result)))))
(define (maximize-multiple f tol . guess-args)
(let ((result (apply minimize-multiple
(append (list (compose - f) tol) guess-args))))
(cons (min-arg result) (- (min-val result)))))
; ****************************************************************
; Find a root of a function of one argument using Ridder's method.
; (find-root f tol x-min x-max) : returns the root of the function (f x),
; within a fractional tolerance tol. x-min and x-max must bracket the
; root; that is, (f x-min) must have a different sign than (f x-max).
(define (find-root f tol x-min x-max)
(define (midpoint a b) (* 0.5 (+ a b)))
(define (sign x) (if (< x 0) -1 1))
(define (best-bracket a b x1 x2 fa fb f1 f2)
(if (positive? (* f1 f2))
(if (positive? (* fa f1))
(list (max x1 x2) b (if (> x1 x2) f1 f2) fb)
(list a (min x1 x2) fa (if (< x1 x2) f1 f2)))
(if (< x1 x2)
(list x1 x2 f1 f2)
(list x2 x1 f2 f1))))
(define (converged? a b x) (< (min (magnitude (- x a)) (magnitude (- x b)))
(* tol (magnitude x))))
; find the root by Ridder's method:
(define (ridder a b fa fb)
(if (or (= fa 0) (= fb 0))
(if (= fa 0) a b)
(begin
(if (> (* fa fb) 0)
(error "x-min and x-max in find-root must bracket the root!"))
(let ((m (midpoint a b)))
(let ((fm (f m)))
(let ((x (+ m (/ (* (- m a) (sign (- fa fb)) fm)
(sqrt (- (* fm fm) (* fa fb)))))))
(if (or (= fm 0) (converged? a b x))
(if (= fm 0) m x)
(let ((fx (f x)))
(apply ridder (best-bracket a b x m fa fb fx fm))))))))))
(ridder x-min x-max (f x-min) (f x-max)))
; ****************************************************************
; Find a root by Newton's method with bounds and bisection,
; given a function f that returns a pair of (value . derivative)
(define (find-root-deriv f tol x-min x-max . x-guess)
; Some trickiness: we only need to evaluate the function at x-min and
; x-max if a Newton step fails, and even then only if we haven't already
; bracketed the root, so do this via lazy evaluation.
(define f-memo (memoize f))
(define (lazy x) (if (number? x) x (x)))
(define ((pick-bound which?))
(let ((fmin-pair (f-memo x-min)) (fmax-pair (f-memo x-max)))
(let ((fmin (car fmin-pair)) (fmax (car fmax-pair)))
(if (which? fmin) x-min
(if (which? fmax) x-max
(error "failed to bracket the root in find-root-deriv"))))))
(define (in-bounds? x f df a b)
(negative? (* (- f (* df (- x a)))
(- f (* df (- x b))))))
(define (newton x a b dx)
(if (< (abs dx) (abs (* tol x)))
x
(let ((fx-pair (f-memo x)))
(let ((f (car fx-pair)) (df (cdr fx-pair)))
(if (= f 0)
x
(let ((a' (if (< f 0) x a)) (b' (if (> f 0) x b)))
(if (and (not (= dx (- x-max x-min)))
(negative? (* dx (/ f df)))
(positive? (* (car (f-memo (lazy a')))
(car (f-memo (lazy b'))))))
(error "failed to bracket the root in find-root-deriv"))
(if (and (if (and (number? a) (number? b))
(in-bounds? x f df a b)
(in-bounds? x f df x-min x-max))
; (> (abs (* 0.5 dx df)) (abs f))
)
(newton (- x (/ f df)) a' b' (/ f df))
(let ((av (lazy a)) (bv (lazy b)))
(let ((dx' (* 0.5 (- bv av)))
(a'' (if (eq? a a') av a'))
(b'' (if (eq? b b') bv b')))
(newton (* (+ av bv) 0.5) a'' b'' dx'))))))))))
(newton (if (null? x-guess) (* (+ x-min x-max) 0.5) (car x-guess))
(pick-bound negative?)
(pick-bound positive?)
(- x-max x-min)))
; ****************************************************************
; Numerical differentiation:
; Compute the numerical derivative of a function f at x, using
; Ridder's method of polynomial extrapolation, described e.g. in
; Numerical Recipes in C (section 5.7).
; This is the basic routine, but we wrap it in another interface below
; so that dx and tol can be optional arguments.
(define (do-derivative f x dx tol)
; Using Neville's algorithm, compute successively higher-order
; extrapolations of the derivative (the "Neville tableau"):
(define (deriv-a a0 prev-a fac fac0)
(if (null? prev-a)
(list a0)
(cons a0 (deriv-a (binary/
(binary- (binary* a0 fac) (car prev-a))
(- fac 1))
(cdr prev-a) (* fac fac0) fac0))))
(define (deriv dx df0 err0 prev-a fac0)
(let ((a (deriv-a (binary/ (binary- (f (+ x dx)) (f (- x dx))) (* 2 dx))
prev-a fac0 fac0)))
(if (null? prev-a)
(deriv (/ dx (sqrt fac0)) (car a) err0 a fac0)
(let* ((errs
(map max
(map unary-abs (map binary- (cdr a) (reverse (cdr (reverse a)))))
(map unary-abs (map binary- (cdr a) prev-a))))
(errmin (apply min errs))
(err (min errmin err0))
(df (if (> err err0)
df0
(cdr (assoc errmin (map cons errs (cdr a)))))))
(if (or (<= err (* tol (unary-abs df)) )
(> (unary-abs (binary- (car (reverse a)) (car (reverse prev-a))))
(* 2 err)))
(list df err)
(deriv (/ dx (sqrt fac0)) df err a fac0))))))
(deriv dx 0 1e30 '() 2))
(define (do-derivative-wrap do-deriv f x dx-and-tol)
(let ((dx (if (> (length dx-and-tol) 0)
(car dx-and-tol)
(max (magnitude (* x 0.01)) 0.01)))
(tol (if (> (length dx-and-tol) 1)
(cadr dx-and-tol)
0)))
(do-deriv f x dx tol)))
(define derivative-df car)
(define derivative-df-err cadr)
(define derivative-d2f caddr)
(define derivative-d2f-err cadddr)
(define (derivative f x . dx-and-tol)
(do-derivative-wrap do-derivative f x dx-and-tol))
(define (deriv f x . dx-and-tol)
(derivative-df (do-derivative-wrap do-derivative f x dx-and-tol)))
; Compute both the first and second derivatives at the same time
; (using minimal extra function evaluations).
(define (derivative2 f x . dx-and-tol)
(define f-memo (memoize f))
(define (f-deriv y)
(binary* (binary- (f-memo y) (f-memo x)) (/ 2 (- y x))))
(append
(do-derivative-wrap do-derivative f-memo x dx-and-tol)
(do-derivative-wrap do-derivative f-deriv x dx-and-tol)))
(define (deriv2 f x . dx-and-tol)
(derivative-d2f (apply derivative2 (cons f (cons x dx-and-tol)))))
; Below, we have variants of the above routine which only compute the
; *one-sided* derivative df/dx for dx > 0. (Adapted from Ridder's
; algorithm by SGJ. Note that these are generally less accurate
; than the ordinary two-sided derivative, above.)
(define (do-derivative+ f x dx tol)
; Using Neville's algorithm, compute successively higher-order
; extrapolations of the derivative (the "Neville tableau"):
(define (deriv-a a0 prev-a fac fac0)
(if (null? prev-a)
(list a0)
(cons a0 (deriv-a (binary/
(binary- (binary* a0 fac) (car prev-a))
(- fac 1))
(cdr prev-a) (* fac fac0) fac0))))
(define fx (f x))
(define (deriv dx df0 err0 prev-a fac0)
(let ((a (deriv-a (binary/ (binary- (f (+ x dx)) fx) dx)
prev-a fac0 fac0)))
(if (null? prev-a)
(deriv (/ dx fac0) (car a) err0 a fac0)
(let* ((errs
(map max
(map unary-abs (map binary- (cdr a) (reverse (cdr (reverse a)))))
(map unary-abs (map binary- (cdr a) prev-a))))
(errmin (apply min errs))
(err (min errmin err0))
(df (if (> err err0)
df0
(cdr (assoc errmin (map cons errs (cdr a)))))))
(if (or (< err (* tol (unary-abs df)) )
(> (unary-abs (binary- (car (reverse a)) (car (reverse prev-a))))
(* 2 err)))
(list df err)
(deriv (/ dx fac0) df err a fac0))))))
(deriv dx 0 1e30 '() (sqrt 2)))
; Compute both the first and second derivatives at the same time
; (using minimal extra function evaluations).
(define (do-derivative-wrap2+ do-deriv only2? f x dx-and-tol)
(define f-memo (memoize f))
(define (f-deriv y)
(if (= y x)
0.0
(binary* (binary+ (f-memo y)
(binary- (f-memo x)
(binary* 2.0 (f-memo (* 0.5 (+ x y))))))
(/ 4 (- y x)))))
(append
(if only2?
(list 0 0)
(do-derivative-wrap do-deriv f-memo x dx-and-tol))
(do-derivative-wrap do-deriv f-deriv x dx-and-tol)))
(define (derivative+ f x . dx-and-tol)
(do-derivative-wrap do-derivative+ f x dx-and-tol))
(define (deriv+ f x . dx-and-tol)
(derivative-df (do-derivative-wrap do-derivative+ f x dx-and-tol)))
(define (derivative2+ f x . dx-and-tol)
(do-derivative-wrap2+ do-derivative+ false f x dx-and-tol))
(define (deriv2+ f x . dx-and-tol)
(derivative-d2f (do-derivative-wrap2+ do-derivative+ true f x dx-and-tol)))
; as do-derivative+, but taking derivative from left
(define (do-derivative- f x dx tol)
(do-derivative+ f x (- dx) tol))
(define (derivative- f x . dx-and-tol)
(do-derivative-wrap do-derivative- f x dx-and-tol))
(define (deriv- f x . dx-and-tol)
(derivative-df (do-derivative-wrap do-derivative- f x dx-and-tol)))
(define (derivative2- f x . dx-and-tol)
(do-derivative-wrap2+ do-derivative- false f x dx-and-tol))
(define (deriv2- f x . dx-and-tol)
(derivative-d2f (do-derivative-wrap2+ do-derivative- true f x dx-and-tol)))
; ****************************************************************
; Some simple integration routines using an adaptive trapezoidal rule
; (see e.g. Numerical Recipes, Sec. 4.2). It might be nice to have
; Gaussian quadratures and what-not, but on the other hand the
; functions we are integrating may well be the result of a computation
; on a finite grid (somehow interpolated), and so will not be smooth.
; Also, implementing thse simple algorithms in Scheme lets us use our
; polymorphic arithmetic functions so that we can easily integrate
; real, complex, and vector-valued functions.
;
; UPDATE: quadrature/cubature rules are now implemented via C
; Integrate the 1d function (f x) from x=a..b to within the specified
; fractional tolerance.
(define (integrate-1d f a b tol)
(define (pow2 n) (if (<= n 0) 1 (* 2 (pow2 (- n 1))))) ; 2^n
(define (trap0 n sum)
(binary*
0.5
(binary+
sum
(if (<= n 1)
(binary* (- b a) (binary+ (f a) (f b)))
(let ((steps (pow2 (- n 2))))
(let ((dx (/ (- b a) steps)))
(binary*
dx
(do ((cur-sum 0) (i 0 (+ i 1)) (x (+ a dx) (+ x dx)))
((>= i steps) cur-sum)
(set! cur-sum (binary+ cur-sum (f x)))))))))))
(define (trap n sum)
(let ((newsum (trap0 n sum)))
(if (and (> n 5)
(or (> n 20)
(binary= newsum sum)
(< (unary-abs (binary- newsum sum))
(* tol (unary-abs newsum)))))
newsum
(trap (+ n 1) newsum))))
(trap 1 0.0))
; Integrate the multi-dimensional function f from a..b, within the
; specified tolerance. a and b are either numbers (for 1d integrals),
; or vectors/lists of the same length giving the bounds in each dimension.
; NOTE: this is our *old* routine that uses the trapezoidal rule
(define (integrate-old f a b tol)
(define (int f a b)
(if (null? a)
(f)
(integrate-1d
(lambda (x) (int (lambda (. y) (apply f (cons x y))) (cdr a) (cdr b)))
(car a) (car b) tol)))
(cond
((and (vector? a) (vector? b))
(integrate-old f (vector->list a) (vector->list b) tol))
((and (number? a) (number? b))
(integrate-old f (list a) (list b) tol))
(else (int f a b))))
; As above, but use adaptive cubature rules in integrator.c
; Optionally, can take absolute tolerance and max # function evals as args.
(define (integrate f a b reltol . abstol-and-maxnfe)
(define (to-list x)
(cond ((number? x) (list x))
((vector? x) (vector->list x))
(else x)))
((if (defined? 'cadaptive-integration)
cadaptive-integration ; only compiled when complex nums are available
adaptive-integration)
(lambda (x) (apply f x))
(to-list a) (to-list b)
(if (null? abstol-and-maxnfe) 0.0 (car abstol-and-maxnfe))
reltol
(if (< (length abstol-and-maxnfe) 2) 0 (cadr abstol-and-maxnfe))))
; ****************************************************************
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