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""" Some examples have been taken from: http://www.math.uwaterloo.ca/~hwolkowi//matrixcookbook.pdf """ from sympy import (MatrixSymbol, Inverse, symbols, Determinant, Trace, sin, exp, cos, tan, log, S, sqrt, hadamard_product, DiagMatrix, OneMatrix, HadamardProduct, HadamardPower, KroneckerDelta, Sum, Rational) from sympy import MatAdd, Identity, MatMul, ZeroMatrix from sympy.tensor.array.array_derivatives import ArrayDerivative from sympy.matrices.expressions import hadamard_power k = symbols("k") i, j = symbols("i j") m, n = symbols("m n") X = MatrixSymbol("X", k, k) x = MatrixSymbol("x", k, 1) y = MatrixSymbol("y", k, 1) A = MatrixSymbol("A", k, k) B = MatrixSymbol("B", k, k) C = MatrixSymbol("C", k, k) D = MatrixSymbol("D", k, k) a = MatrixSymbol("a", k, 1) b = MatrixSymbol("b", k, 1) c = MatrixSymbol("c", k, 1) d = MatrixSymbol("d", k, 1) KDelta = lambda i, j: KroneckerDelta(i, j, (0, k-1)) def _check_derivative_with_explicit_matrix(expr, x, diffexpr, dim=2): # TODO: this is commented because it slows down the tests. return expr = expr.xreplace({k: dim}) x = x.xreplace({k: dim}) diffexpr = diffexpr.xreplace({k: dim}) expr = expr.as_explicit() x = x.as_explicit() diffexpr = diffexpr.as_explicit() assert expr.diff(x).reshape(*diffexpr.shape).tomatrix() == diffexpr def test_matrix_derivative_by_scalar(): assert A.diff(i) == ZeroMatrix(k, k) assert (A*(X + B)*c).diff(i) == ZeroMatrix(k, 1) assert x.diff(i) == ZeroMatrix(k, 1) assert (x.T*y).diff(i) == ZeroMatrix(1, 1) assert (x*x.T).diff(i) == ZeroMatrix(k, k) assert (x + y).diff(i) == ZeroMatrix(k, 1) assert hadamard_power(x, 2).diff(i) == ZeroMatrix(k, 1) assert hadamard_power(x, i).diff(i).dummy_eq( HadamardProduct(x.applyfunc(log), HadamardPower(x, i))) assert hadamard_product(x, y).diff(i) == ZeroMatrix(k, 1) assert hadamard_product(i*OneMatrix(k, 1), x, y).diff(i) == hadamard_product(x, y) assert (i*x).diff(i) == x assert (sin(i)*A*B*x).diff(i) == cos(i)*A*B*x assert x.applyfunc(sin).diff(i) == ZeroMatrix(k, 1) assert Trace(i**2*X).diff(i) == 2*i*Trace(X) mu = symbols("mu") expr = (2*mu*x) assert expr.diff(x) == 2*mu*Identity(k) def test_matrix_derivative_non_matrix_result(): # This is a 4-dimensional array: assert A.diff(A) == ArrayDerivative(A, A) assert A.T.diff(A) == ArrayDerivative(A.T, A) assert (2*A).diff(A) == ArrayDerivative(2*A, A) assert MatAdd(A, A).diff(A) == ArrayDerivative(MatAdd(A, A), A) assert (A + B).diff(A) == ArrayDerivative(A + B, A) # TODO: `B` can be removed. def test_matrix_derivative_trivial_cases(): # Cookbook example 33: # TODO: find a way to represent a four-dimensional zero-array: assert X.diff(A) == ArrayDerivative(X, A) def test_matrix_derivative_with_inverse(): # Cookbook example 61: expr = a.T*Inverse(X)*b assert expr.diff(X) == -Inverse(X).T*a*b.T*Inverse(X).T # Cookbook example 62: expr = Determinant(Inverse(X)) # Not implemented yet: # assert expr.diff(X) == -Determinant(X.inv())*(X.inv()).T # Cookbook example 63: expr = Trace(A*Inverse(X)*B) assert expr.diff(X) == -(X**(-1)*B*A*X**(-1)).T # Cookbook example 64: expr = Trace(Inverse(X + A)) assert expr.diff(X) == -(Inverse(X + A)).T**2 def test_matrix_derivative_vectors_and_scalars(): assert x.diff(x) == Identity(k) assert x[i, 0].diff(x[m, 0]).doit() == KDelta(m, i) assert x.T.diff(x) == Identity(k) # Cookbook example 69: expr = x.T*a assert expr.diff(x) == a assert expr[0, 0].diff(x[m, 0]).doit() == a[m, 0] expr = a.T*x assert expr.diff(x) == a # Cookbook example 70: expr = a.T*X*b assert expr.diff(X) == a*b.T # Cookbook example 71: expr = a.T*X.T*b assert expr.diff(X) == b*a.T # Cookbook example 72: expr = a.T*X*a assert expr.diff(X) == a*a.T expr = a.T*X.T*a assert expr.diff(X) == a*a.T # Cookbook example 77: expr = b.T*X.T*X*c assert expr.diff(X) == X*b*c.T + X*c*b.T # Cookbook example 78: expr = (B*x + b).T*C*(D*x + d) assert expr.diff(x) == B.T*C*(D*x + d) + D.T*C.T*(B*x + b) # Cookbook example 81: expr = x.T*B*x assert expr.diff(x) == B*x + B.T*x # Cookbook example 82: expr = b.T*X.T*D*X*c assert expr.diff(X) == D.T*X*b*c.T + D*X*c*b.T # Cookbook example 83: expr = (X*b + c).T*D*(X*b + c) assert expr.diff(X) == D*(X*b + c)*b.T + D.T*(X*b + c)*b.T assert str(expr[0, 0].diff(X[m, n]).doit()) == \ 'b[n, 0]*Sum((c[_i_1, 0] + Sum(X[_i_1, _i_3]*b[_i_3, 0], (_i_3, 0, k - 1)))*D[_i_1, m], (_i_1, 0, k - 1)) + Sum((c[_i_2, 0] + Sum(X[_i_2, _i_4]*b[_i_4, 0], (_i_4, 0, k - 1)))*D[m, _i_2]*b[n, 0], (_i_2, 0, k - 1))' def test_matrix_derivatives_of_traces(): expr = Trace(A)*A assert expr.diff(A) == ArrayDerivative(Trace(A)*A, A) assert expr[i, j].diff(A[m, n]).doit() == ( KDelta(i, m)*KDelta(j, n)*Trace(A) + KDelta(m, n)*A[i, j] ) ## First order: # Cookbook example 99: expr = Trace(X) assert expr.diff(X) == Identity(k) assert expr.rewrite(Sum).diff(X[m, n]).doit() == KDelta(m, n) # Cookbook example 100: expr = Trace(X*A) assert expr.diff(X) == A.T assert expr.rewrite(Sum).diff(X[m, n]).doit() == A[n, m] # Cookbook example 101: expr = Trace(A*X*B) assert expr.diff(X) == A.T*B.T assert expr.rewrite(Sum).diff(X[m, n]).doit().dummy_eq((A.T*B.T)[m, n]) # Cookbook example 102: expr = Trace(A*X.T*B) assert expr.diff(X) == B*A # Cookbook example 103: expr = Trace(X.T*A) assert expr.diff(X) == A # Cookbook example 104: expr = Trace(A*X.T) assert expr.diff(X) == A # Cookbook example 105: # TODO: TensorProduct is not supported #expr = Trace(TensorProduct(A, X)) #assert expr.diff(X) == Trace(A)*Identity(k) ## Second order: # Cookbook example 106: expr = Trace(X**2) assert expr.diff(X) == 2*X.T # Cookbook example 107: expr = Trace(X**2*B) assert expr.diff(X) == (X*B + B*X).T expr = Trace(MatMul(X, X, B)) assert expr.diff(X) == (X*B + B*X).T # Cookbook example 108: expr = Trace(X.T*B*X) assert expr.diff(X) == B*X + B.T*X # Cookbook example 109: expr = Trace(B*X*X.T) assert expr.diff(X) == B*X + B.T*X # Cookbook example 110: expr = Trace(X*X.T*B) assert expr.diff(X) == B*X + B.T*X # Cookbook example 111: expr = Trace(X*B*X.T) assert expr.diff(X) == X*B.T + X*B # Cookbook example 112: expr = Trace(B*X.T*X) assert expr.diff(X) == X*B.T + X*B # Cookbook example 113: expr = Trace(X.T*X*B) assert expr.diff(X) == X*B.T + X*B # Cookbook example 114: expr = Trace(A*X*B*X) assert expr.diff(X) == A.T*X.T*B.T + B.T*X.T*A.T # Cookbook example 115: expr = Trace(X.T*X) assert expr.diff(X) == 2*X expr = Trace(X*X.T) assert expr.diff(X) == 2*X # Cookbook example 116: expr = Trace(B.T*X.T*C*X*B) assert expr.diff(X) == C.T*X*B*B.T + C*X*B*B.T # Cookbook example 117: expr = Trace(X.T*B*X*C) assert expr.diff(X) == B*X*C + B.T*X*C.T # Cookbook example 118: expr = Trace(A*X*B*X.T*C) assert expr.diff(X) == A.T*C.T*X*B.T + C*A*X*B # Cookbook example 119: expr = Trace((A*X*B + C)*(A*X*B + C).T) assert expr.diff(X) == 2*A.T*(A*X*B + C)*B.T # Cookbook example 120: # TODO: no support for TensorProduct. # expr = Trace(TensorProduct(X, X)) # expr = Trace(X)*Trace(X) # expr.diff(X) == 2*Trace(X)*Identity(k) # Higher Order # Cookbook example 121: expr = Trace(X**k) #assert expr.diff(X) == k*(X**(k-1)).T # Cookbook example 122: expr = Trace(A*X**k) #assert expr.diff(X) == # Needs indices # Cookbook example 123: expr = Trace(B.T*X.T*C*X*X.T*C*X*B) assert expr.diff(X) == C*X*X.T*C*X*B*B.T + C.T*X*B*B.T*X.T*C.T*X + C*X*B*B.T*X.T*C*X + C.T*X*X.T*C.T*X*B*B.T # Other # Cookbook example 124: expr = Trace(A*X**(-1)*B) assert expr.diff(X) == -Inverse(X).T*A.T*B.T*Inverse(X).T # Cookbook example 125: expr = Trace(Inverse(X.T*C*X)*A) # Warning: result in the cookbook is equivalent if B and C are symmetric: assert expr.diff(X) == - X.inv().T*A.T*X.inv()*C.inv().T*X.inv().T - X.inv().T*A*X.inv()*C.inv()*X.inv().T # Cookbook example 126: expr = Trace((X.T*C*X).inv()*(X.T*B*X)) assert expr.diff(X) == -2*C*X*(X.T*C*X).inv()*X.T*B*X*(X.T*C*X).inv() + 2*B*X*(X.T*C*X).inv() # Cookbook example 127: expr = Trace((A + X.T*C*X).inv()*(X.T*B*X)) # Warning: result in the cookbook is equivalent if B and C are symmetric: assert expr.diff(X) == B*X*Inverse(A + X.T*C*X) - C*X*Inverse(A + X.T*C*X)*X.T*B*X*Inverse(A + X.T*C*X) - C.T*X*Inverse(A.T + (C*X).T*X)*X.T*B.T*X*Inverse(A.T + (C*X).T*X) + B.T*X*Inverse(A.T + (C*X).T*X) def test_derivatives_of_complicated_matrix_expr(): expr = a.T*(A*X*(X.T*B + X*A) + B.T*X.T*(a*b.T*(X*D*X.T + X*(X.T*B + A*X)*D*B - X.T*C.T*A)*B + B*(X*D.T + B*A*X*A.T - 3*X*D))*B + 42*X*B*X.T*A.T*(X + X.T))*b result = (B*(B*A*X*A.T - 3*X*D + X*D.T) + a*b.T*(X*(A*X + X.T*B)*D*B + X*D*X.T - X.T*C.T*A)*B)*B*b*a.T*B.T + B**2*b*a.T*B.T*X.T*a*b.T*X*D + 42*A*X*B.T*X.T*a*b.T + B*D*B**3*b*a.T*B.T*X.T*a*b.T*X + B*b*a.T*A*X + 42*a*b.T*(X + X.T)*A*X*B.T + b*a.T*X*B*a*b.T*B.T**2*X*D.T + b*a.T*X*B*a*b.T*B.T**3*D.T*(B.T*X + X.T*A.T) + 42*b*a.T*X*B*X.T*A.T + 42*A.T*(X + X.T)*b*a.T*X*B + A.T*B.T**2*X*B*a*b.T*B.T*A + A.T*a*b.T*(A.T*X.T + B.T*X) + A.T*X.T*b*a.T*X*B*a*b.T*B.T**3*D.T + B.T*X*B*a*b.T*B.T*D - 3*B.T*X*B*a*b.T*B.T*D.T - C.T*A*B**2*b*a.T*B.T*X.T*a*b.T + X.T*A.T*a*b.T*A.T assert expr.diff(X) == result def test_mixed_deriv_mixed_expressions(): expr = 3*Trace(A) assert expr.diff(A) == 3*Identity(k) expr = k deriv = expr.diff(A) assert isinstance(deriv, ZeroMatrix) assert deriv == ZeroMatrix(k, k) expr = Trace(A)**2 assert expr.diff(A) == (2*Trace(A))*Identity(k) expr = Trace(A)*A # TODO: this is not yet supported: assert expr.diff(A) == ArrayDerivative(expr, A) expr = Trace(Trace(A)*A) assert expr.diff(A) == (2*Trace(A))*Identity(k) expr = Trace(Trace(Trace(A)*A)*A) assert expr.diff(A) == (3*Trace(A)**2)*Identity(k) def test_derivatives_matrix_norms(): expr = x.T*y assert expr.diff(x) == y assert expr[0, 0].diff(x[m, 0]).doit() == y[m, 0] expr = (x.T*y)**S.Half assert expr.diff(x) == y/(2*sqrt(x.T*y)) expr = (x.T*x)**S.Half assert expr.diff(x) == x*(x.T*x)**Rational(-1, 2) expr = (c.T*a*x.T*b)**S.Half assert expr.diff(x) == b/(2*sqrt(c.T*a*x.T*b))*c.T*a expr = (c.T*a*x.T*b)**Rational(1, 3) assert expr.diff(x) == b*(c.T*a*x.T*b)**Rational(-2, 3)*c.T*a/3 expr = (a.T*X*b)**S.Half assert expr.diff(X) == a/(2*sqrt(a.T*X*b))*b.T expr = d.T*x*(a.T*X*b)**S.Half*y.T*c assert expr.diff(X) == a*d.T*x/(2*sqrt(a.T*X*b))*y.T*c*b.T def test_derivatives_elementwise_applyfunc(): from sympy.matrices.expressions.diagonal import DiagMatrix expr = x.applyfunc(tan) assert expr.diff(x).dummy_eq( DiagMatrix(x.applyfunc(lambda x: tan(x)**2 + 1))) assert expr[i, 0].diff(x[m, 0]).doit() == (tan(x[i, 0])**2 + 1)*KDelta(i, m) _check_derivative_with_explicit_matrix(expr, x, expr.diff(x)) expr = (i**2*x).applyfunc(sin) assert expr.diff(i).dummy_eq( HadamardProduct((2*i)*x, (i**2*x).applyfunc(cos))) assert expr[i, 0].diff(i).doit() == 2*i*x[i, 0]*cos(i**2*x[i, 0]) _check_derivative_with_explicit_matrix(expr, i, expr.diff(i)) expr = (log(i)*A*B).applyfunc(sin) assert expr.diff(i).dummy_eq( HadamardProduct(A*B/i, (log(i)*A*B).applyfunc(cos))) _check_derivative_with_explicit_matrix(expr, i, expr.diff(i)) expr = A*x.applyfunc(exp) # TODO: restore this result (currently returning the transpose): # assert expr.diff(x).dummy_eq(DiagMatrix(x.applyfunc(exp))*A.T) _check_derivative_with_explicit_matrix(expr, x, expr.diff(x)) expr = x.T*A*x + k*y.applyfunc(sin).T*x assert expr.diff(x).dummy_eq(A.T*x + A*x + k*y.applyfunc(sin)) _check_derivative_with_explicit_matrix(expr, x, expr.diff(x)) expr = x.applyfunc(sin).T*y # TODO: restore (currently returning the traspose): # assert expr.diff(x).dummy_eq(DiagMatrix(x.applyfunc(cos))*y) _check_derivative_with_explicit_matrix(expr, x, expr.diff(x)) expr = (a.T * X * b).applyfunc(sin) assert expr.diff(X).dummy_eq(a*(a.T*X*b).applyfunc(cos)*b.T) _check_derivative_with_explicit_matrix(expr, X, expr.diff(X)) expr = a.T * X.applyfunc(sin) * b assert expr.diff(X).dummy_eq( DiagMatrix(a)*X.applyfunc(cos)*DiagMatrix(b)) _check_derivative_with_explicit_matrix(expr, X, expr.diff(X)) expr = a.T * (A*X*B).applyfunc(sin) * b assert expr.diff(X).dummy_eq( A.T*DiagMatrix(a)*(A*X*B).applyfunc(cos)*DiagMatrix(b)*B.T) _check_derivative_with_explicit_matrix(expr, X, expr.diff(X)) expr = a.T * (A*X*b).applyfunc(sin) * b.T # TODO: not implemented #assert expr.diff(X) == ... #_check_derivative_with_explicit_matrix(expr, X, expr.diff(X)) expr = a.T*A*X.applyfunc(sin)*B*b assert expr.diff(X).dummy_eq( DiagMatrix(A.T*a)*X.applyfunc(cos)*DiagMatrix(B*b)) expr = a.T * (A*X.applyfunc(sin)*B).applyfunc(log) * b # TODO: wrong # assert expr.diff(X) == A.T*DiagMatrix(a)*(A*X.applyfunc(sin)*B).applyfunc(Lambda(k, 1/k))*DiagMatrix(b)*B.T expr = a.T * (X.applyfunc(sin)).applyfunc(log) * b # TODO: wrong # assert expr.diff(X) == DiagMatrix(a)*X.applyfunc(sin).applyfunc(Lambda(k, 1/k))*DiagMatrix(b) def test_derivatives_of_hadamard_expressions(): # Hadamard Product expr = hadamard_product(a, x, b) assert expr.diff(x) == DiagMatrix(hadamard_product(b, a)) expr = a.T*hadamard_product(A, X, B)*b assert expr.diff(X) == DiagMatrix(a)*hadamard_product(B, A)*DiagMatrix(b) # Hadamard Power expr = hadamard_power(x, 2) assert expr.diff(x).doit() == 2*DiagMatrix(x) expr = hadamard_power(x.T, 2) assert expr.diff(x).doit() == 2*DiagMatrix(x) expr = hadamard_power(x, S.Half) assert expr.diff(x) == S.Half*DiagMatrix(hadamard_power(x, Rational(-1, 2))) expr = hadamard_power(a.T*X*b, 2) assert expr.diff(X) == 2*a*a.T*X*b*b.T expr = hadamard_power(a.T*X*b, S.Half) assert expr.diff(X) == a/2*hadamard_power(a.T*X*b, Rational(-1, 2))*b.T