def test_run(): ###### Test updating F, G, S in that order # Test whether a single iteration gives the correct behaviour, updating F, G, S in that order R = numpy.array([[1, 2], [3, 4]], dtype='f') M = numpy.array([[1, 1], [0, 1]]) K = 3 L = 1 F = numpy.array([[1, 2, 3], [4, 5, 6]], dtype='f') S = numpy.array([[7], [8], [9]], dtype='f') G = numpy.array([[10], [11]], dtype='f') #FSG = numpy.array([[500,550],[1220,1342]],dtype='f') #FS = numpy.array([[50],[122]],dtype='f') #SG = numpy.array([[70,77],[80,88],[90,99]],dtype='f') nmtf = NMTF(R, M, K, L) # Check we get an Exception if W, H are undefined with pytest.raises(AssertionError) as error: nmtf.run(0) assert str( error.value ) == "F, S and G have not been initialised - please run NMTF.initialise() first." nmtf.F = numpy.copy(F) nmtf.S = numpy.copy(S) nmtf.G = numpy.copy(G) nmtf.run(1)
def test_compute_I_div(): R = numpy.array([[1,2],[3,4]],dtype=float) M = numpy.array([[1,1],[0,1]]) (I,J,K,L) = (2,2,3,1) F = numpy.array([[1,2,3],[4,5,6]]) S = numpy.array([[7],[8],[9]]) G = numpy.array([[10],[11]]) #R_predicted = numpy.array([[500,550],[1220,1342]],dtype=float) nmtf = NMTF(R,M,K,L) nmtf.F = F nmtf.S = S nmtf.G = G expected_I_div = sum([ 1.0*math.log(1.0/500.0) - 1.0 + 500.0, 2.0*math.log(2.0/550.0) - 2.0 + 550.0, 4.0*math.log(4.0/1342.0) - 4.0 + 1342.0 ]) nmtf = NMTF(R,M,K,L) nmtf.F = F nmtf.S = S nmtf.G = G I_div = nmtf.compute_I_div() assert I_div == expected_I_div
def test_run(): ###### Test updating F, G, S in that order # Test whether a single iteration gives the correct behaviour, updating F, G, S in that order R = numpy.array([[1,2],[3,4]],dtype='f') M = numpy.array([[1,1],[0,1]]) K = 3 L = 1 F = numpy.array([[1,2,3],[4,5,6]],dtype='f') S = numpy.array([[7],[8],[9]],dtype='f') G = numpy.array([[10],[11]],dtype='f') #FSG = numpy.array([[500,550],[1220,1342]],dtype='f') #FS = numpy.array([[50],[122]],dtype='f') #SG = numpy.array([[70,77],[80,88],[90,99]],dtype='f') nmtf = NMTF(R,M,K,L) # Check we get an Exception if W, H are undefined with pytest.raises(AssertionError) as error: nmtf.run(0) assert str(error.value) == "F, S and G have not been initialised - please run NMTF.initialise() first." nmtf.F = numpy.copy(F) nmtf.S = numpy.copy(S) nmtf.G = numpy.copy(G) nmtf.run(1)
def test_compute_statistics(): R = numpy.array([[1,2],[3,4]],dtype=float) M = numpy.array([[1,1],[0,1]]) (I,J,K,L) = 2, 2, 3, 4 nmtf = NMTF(R,M,K,L) R_pred = numpy.array([[500,550],[1220,1342]],dtype=float) M_pred = numpy.array([[0,0],[1,1]]) MSE_pred = (1217**2 + 1338**2) / 2.0 R2_pred = 1. - (1217**2+1338**2)/(0.5**2+0.5**2) #mean=3.5 Rp_pred = 61. / ( math.sqrt(.5) * math.sqrt(7442.) ) #mean=3.5,var=0.5,mean_pred=1281,var_pred=7442,cov=61 assert MSE_pred == nmtf.compute_MSE(M_pred,R,R_pred) assert R2_pred == nmtf.compute_R2(M_pred,R,R_pred) assert Rp_pred == nmtf.compute_Rp(M_pred,R,R_pred)
def test_compute_statistics(): R = numpy.array([[1, 2], [3, 4]], dtype=float) M = numpy.array([[1, 1], [0, 1]]) (I, J, K, L) = 2, 2, 3, 4 nmtf = NMTF(R, M, K, L) R_pred = numpy.array([[500, 550], [1220, 1342]], dtype=float) M_pred = numpy.array([[0, 0], [1, 1]]) MSE_pred = (1217**2 + 1338**2) / 2.0 R2_pred = 1. - (1217**2 + 1338**2) / (0.5**2 + 0.5**2) #mean=3.5 Rp_pred = 61. / (math.sqrt(.5) * math.sqrt(7442.) ) #mean=3.5,var=0.5,mean_pred=1281,var_pred=7442,cov=61 assert MSE_pred == nmtf.compute_MSE(M_pred, R, R_pred) assert R2_pred == nmtf.compute_R2(M_pred, R, R_pred) assert Rp_pred == nmtf.compute_Rp(M_pred, R, R_pred)
def test_predict(): R = numpy.array([[1, 2], [3, 4]], dtype=float) M = numpy.array([[1, 1], [0, 1]]) (I, J, K, L) = (2, 2, 3, 1) F = numpy.array([[1, 2, 3], [4, 5, 6]]) S = numpy.array([[7], [8], [9]]) G = numpy.array([[10], [11]]) #R_predicted = numpy.array([[500,550],[1220,1342]],dtype=float) nmtf = NMTF(R, M, K, L) nmtf.F = F nmtf.S = S nmtf.G = G performances = nmtf.predict(M) MSE = (499 * 499 + 548 * 548 + 1338 * 1338) / 3.0 R2 = 1 - (499**2 + 548**2 + 1338**2) / ( (4.0 / 3.0)**2 + (1.0 / 3.0)**2 + (5.0 / 3.0)**2) #mean=7.0/3.0 #mean_real=7.0/3.0,mean_pred=2392.0/3.0 -> diff_real=[-4.0/3.0,-1.0/3.0,5.0/3.0],diff_pred=[-892.0/3.0,-742.0/3.0,1634.0/3.0] Rp = ((-4.0 / 3.0 * -892.0 / 3.0) + (-1.0 / 3.0 * -742.0 / 3.0) + (5.0 / 3.0 * 1634.0 / 3.0)) / (math.sqrt((-4.0 / 3.0)**2 + (-1.0 / 3.0)**2 + (5.0 / 3.0)**2) * math.sqrt((-892.0 / 3.0)**2 + (-742.0 / 3.0)**2 + (1634.0 / 3.0)**2)) assert performances['MSE'] == MSE assert abs(performances['R^2'] - R2) < 0.000000001 assert abs(performances['Rp'] - Rp) < 0.000000001
def test_initialisation(): I,J = 2,3 R = numpy.ones((I,J)) M = numpy.ones((I,J)) K = 4 L = 5 # Init FG ones, S random init_FG = 'ones' init_S = 'random' nmtf = NMTF(R,M,K,L) nmtf.initialise(init_S,init_FG) assert numpy.array_equal(numpy.ones((I,K)),nmtf.F) assert numpy.array_equal(numpy.ones((J,L)),nmtf.G) for (k,l) in itertools.product(range(0,K),range(0,L)): assert nmtf.S[k,l] > 0 and nmtf.S[k,l] < 1 # Init FG random, S ones init_FG = 'random' init_S = 'ones' nmtf = NMTF(R,M,K,L) nmtf.initialise(init_S,init_FG) assert numpy.array_equal(numpy.ones((K,L)),nmtf.S) for (i,k) in itertools.product(range(0,I),range(0,K)): assert nmtf.F[i,k] > 0 and nmtf.F[i,k] < 1 for (j,l) in itertools.product(range(0,J),range(0,L)): assert nmtf.G[j,k] > 0 and nmtf.G[j,k] < 1 # Init FG kmeans, S exponential init_FG = 'kmeans' init_S = 'exponential' nmtf = NMTF(R,M,K,L) nmtf.initialise(init_S,init_FG) for (i,k) in itertools.product(range(0,I),range(0,K)): assert nmtf.F[i,k] == 0.2 or nmtf.F[i,k] == 1.2 for (j,l) in itertools.product(range(0,J),range(0,L)): assert nmtf.G[j,k] == 0.2 or nmtf.G[j,k] == 1.2 for (k,l) in itertools.product(range(0,K),range(0,L)): assert nmtf.S[k,l] > 0
def test_predict(): R = numpy.array([[1,2],[3,4]],dtype=float) M = numpy.array([[1,1],[0,1]]) (I,J,K,L) = (2,2,3,1) F = numpy.array([[1,2,3],[4,5,6]]) S = numpy.array([[7],[8],[9]]) G = numpy.array([[10],[11]]) #R_predicted = numpy.array([[500,550],[1220,1342]],dtype=float) nmtf = NMTF(R,M,K,L) nmtf.F = F nmtf.S = S nmtf.G = G performances = nmtf.predict(M) MSE = ( 499*499 + 548*548 + 1338*1338 ) / 3.0 R2 = 1 - (499**2 + 548**2 + 1338**2)/((4.0/3.0)**2 + (1.0/3.0)**2 + (5.0/3.0)**2) #mean=7.0/3.0 #mean_real=7.0/3.0,mean_pred=2392.0/3.0 -> diff_real=[-4.0/3.0,-1.0/3.0,5.0/3.0],diff_pred=[-892.0/3.0,-742.0/3.0,1634.0/3.0] Rp = ((-4.0/3.0*-892.0/3.0)+(-1.0/3.0*-742.0/3.0)+(5.0/3.0*1634.0/3.0)) / (math.sqrt((-4.0/3.0)**2+(-1.0/3.0)**2+(5.0/3.0)**2) * math.sqrt((-892.0/3.0)**2+(-742.0/3.0)**2+(1634.0/3.0)**2)) assert performances['MSE'] == MSE assert abs(performances['R^2'] - R2) < 0.000000001 assert abs(performances['Rp'] - Rp) < 0.000000001
def test_init(): # Test getting an exception when R and M are different sizes, and when R is not a 2D array R1 = numpy.ones(3) M = numpy.ones((2, 3)) K = 0 L = 0 with pytest.raises(AssertionError) as error: NMTF(R1, M, K, L) assert str( error.value ) == "Input matrix R is not a two-dimensional array, but instead 1-dimensional." R2 = numpy.ones((4, 3, 2)) with pytest.raises(AssertionError) as error: NMTF(R2, M, K, L) assert str( error.value ) == "Input matrix R is not a two-dimensional array, but instead 3-dimensional." R3 = numpy.ones((3, 2)) with pytest.raises(AssertionError) as error: NMTF(R3, M, K, L) assert str( error.value ) == "Input matrix R is not of the same size as the indicator matrix M: (3, 2) and (2, 3) respectively." # Test getting an exception if a row or column is entirely unknown R = numpy.ones((2, 3)) M1 = [[1, 1, 1], [0, 0, 0]] M2 = [[1, 1, 0], [1, 0, 0]] with pytest.raises(AssertionError) as error: NMTF(R, M1, K, L) assert str(error.value) == "Fully unobserved row in R, row 1." with pytest.raises(AssertionError) as error: NMTF(R, M2, K, L) assert str(error.value) == "Fully unobserved column in R, column 2." # Test whether we made a copy of R with 1's at unknown values I, J = 2, 4 R = [[1, 2, 0, 4], [5, 0, 7, 0]] M = [[1, 1, 0, 1], [1, 0, 1, 0]] K = 2 L = 3 R_excl_unknown = [[1, 2, 1, 4], [5, 1, 7, 1]] nmtf = NMTF(R, M, K, L) assert numpy.array_equal(R, nmtf.R) assert numpy.array_equal(M, nmtf.M) assert nmtf.I == I assert nmtf.J == J assert nmtf.K == K assert nmtf.L == L assert numpy.array_equal(R_excl_unknown, nmtf.R_excl_unknown)
sys.path.append(project_location) from BNMTF.code.nmtf_np import NMTF from BNMTF.drug_sensitivity.experiments_gdsc.load_data import load_gdsc import matplotlib.pyplot as plt ########## standardised = False #standardised Sanger or unstandardised iterations = 1000 I, J, K, L = 622,138,5, 5 init_S = 'exponential' init_FG = 'kmeans' expo_prior = 1/10. # Load in data (_,X_min,M,_,_,_,_) = load_gdsc(standardised=standardised) # Run the algorithm nmtf = NMTF(X_min,M,K,L) nmtf.initialise(init_S,init_FG,expo_prior) nmtf.run(iterations) # Print the performances across iterations (MSE) print "all_performances = %s" % nmtf.all_performances['MSE'] # Plot the performances (MSE) plt.plot(nmtf.all_performances['MSE'])
# We now run the VB algorithm on each of the M's for each fraction. all_performances = {metric:[] for metric in metrics} average_performances = {metric:[] for metric in metrics} # averaged over repeats for (fraction,Ms,Ms_test) in zip(fractions_unknown,all_Ms,all_Ms_test): print "Trying fraction %s." % fraction # Run the algorithm <repeats> times and store all the performances for metric in metrics: all_performances[metric].append([]) for (repeat,M,M_test) in zip(range(0,repeats),Ms,Ms_test): print "Repeat %s of fraction %s." % (repeat+1, fraction) # Run the VB algorithm nmtf = NMTF(R,M,K,L) nmtf.initialise(init_S,init_FG) nmtf.run(iterations) # Measure the performances performances = nmtf.predict(M_test) for metric in metrics: # Add this metric's performance to the list of <repeat> performances for this fraction all_performances[metric][-1].append(performances[metric]) # Compute the average across attempts for metric in metrics: average_performances[metric].append(sum(all_performances[metric][-1])/repeats) print "repeats=%s \nfractions_unknown = %s \nall_performances = %s \naverage_performances = %s" % \
def test_updates(): R = numpy.array([[1,2],[3,4]],dtype='f') M = numpy.array([[1,1],[0,1]]) I,J,K,L = 2,2,3,1 F = numpy.array([[1,2,3],[4,5,6]],dtype='f') S = numpy.array([[7],[8],[9]],dtype='f') G = numpy.array([[10],[11]],dtype='f') FSG = numpy.array([[500,550],[1220,1342]],dtype='f') FS = numpy.array([[50],[122]],dtype='f') SG = numpy.array([[70,77],[80,88],[90,99]],dtype='f') F_updated = [ [ F[0][0] * ( R[0][0]*SG[0][0]/FSG[0][0] + R[0][1]*SG[0][1]/FSG[0][1] ) / ( SG[0][0]+SG[0][1] ), F[0][1] * ( R[0][0]*SG[1][0]/FSG[0][0] + R[0][1]*SG[1][1]/FSG[0][1] ) / ( SG[1][0]+SG[1][1] ), F[0][2] * ( R[0][0]*SG[2][0]/FSG[0][0] + R[0][1]*SG[2][1]/FSG[0][1] ) / ( SG[2][0]+SG[2][1] ) ], [ F[1][0] * R[1][1]/FSG[1][1], F[1][1] * R[1][1]/FSG[1][1], F[1][2] * R[1][1]/FSG[1][1] ] ] G_updated = [ [ G[0][0] * R[0][0]/FSG[0][0] ], [ G[1][0] * ( R[0][1]*FS[0][0]/FSG[0][1] + R[1][1]*FS[1][0]/FSG[1][1] ) / ( FS[0][0]+FS[1][0] ) ] ] S_updated = [ [ S[0][0] * ( R[0][0]*F[0][0]*G[0][0]/FSG[0][0] + R[0][1]*F[0][0]*G[1][0]/FSG[0][1] + R[1][1]*F[1][0]*G[1][0]/FSG[1][1] ) / ( F[0][0]*G[0][0]+F[0][0]*G[1][0]+F[1][0]*G[1][0] ) ], [ S[1][0] * ( R[0][0]*F[0][1]*G[0][0]/FSG[0][0] + R[0][1]*F[0][1]*G[1][0]/FSG[0][1] + R[1][1]*F[1][1]*G[1][0]/FSG[1][1] ) / ( F[0][1]*G[0][0]+F[0][1]*G[1][0]+F[1][1]*G[1][0] ) ], [ S[2][0] * ( R[0][0]*F[0][2]*G[0][0]/FSG[0][0] + R[0][1]*F[0][2]*G[1][0]/FSG[0][1] + R[1][1]*F[1][2]*G[1][0]/FSG[1][1] ) / ( F[0][2]*G[0][0]+F[0][2]*G[1][0]+F[1][2]*G[1][0] ) ] ] nmtf = NMTF(R,M,K,L) def reset(): nmtf.F = numpy.copy(F) nmtf.S = numpy.copy(S) nmtf.G = numpy.copy(G) print F[0][0], ( R[0][0]*SG[0][0]/FSG[0][0] + R[0][1]*SG[0][1]/FSG[0][1] ), ( SG[0][0]+SG[0][1] ) print F[1][0], R[1][1]/FSG[1][1]*SG[0][1], SG[0][1] # Test F for k in range(0,K): reset() nmtf.update_F(k) for i in range(0,I): print i,k assert abs(F_updated[i][k] - nmtf.F[i,k]) < 0.000000001 # Test G for l in range(0,L): reset() nmtf.update_G(l) for j in range(0,J): assert abs(G_updated[j][l] - nmtf.G[j,l]) < 0.000000001 # Test S def test_S(k,l): reset() nmtf.update_S(k,l) assert abs(S_updated[k][l] - nmtf.S[k,l]) < 0.00000001 test_S(0,0) test_S(1,0) test_S(2,0)
def test_initialisation(): I, J = 2, 3 R = numpy.ones((I, J)) M = numpy.ones((I, J)) K = 4 L = 5 # Init FG ones, S random init_FG = 'ones' init_S = 'random' nmtf = NMTF(R, M, K, L) nmtf.initialise(init_S, init_FG) assert numpy.array_equal(numpy.ones((I, K)), nmtf.F) assert numpy.array_equal(numpy.ones((J, L)), nmtf.G) for (k, l) in itertools.product(range(0, K), range(0, L)): assert nmtf.S[k, l] > 0 and nmtf.S[k, l] < 1 # Init FG random, S ones init_FG = 'random' init_S = 'ones' nmtf = NMTF(R, M, K, L) nmtf.initialise(init_S, init_FG) assert numpy.array_equal(numpy.ones((K, L)), nmtf.S) for (i, k) in itertools.product(range(0, I), range(0, K)): assert nmtf.F[i, k] > 0 and nmtf.F[i, k] < 1 for (j, l) in itertools.product(range(0, J), range(0, L)): assert nmtf.G[j, k] > 0 and nmtf.G[j, k] < 1 # Init FG kmeans, S exponential init_FG = 'kmeans' init_S = 'exponential' nmtf = NMTF(R, M, K, L) nmtf.initialise(init_S, init_FG) for (i, k) in itertools.product(range(0, I), range(0, K)): assert nmtf.F[i, k] == 0.2 or nmtf.F[i, k] == 1.2 for (j, l) in itertools.product(range(0, J), range(0, L)): assert nmtf.G[j, k] == 0.2 or nmtf.G[j, k] == 1.2 for (k, l) in itertools.product(range(0, K), range(0, L)): assert nmtf.S[k, l] > 0
def test_compute_I_div(): R = numpy.array([[1, 2], [3, 4]], dtype=float) M = numpy.array([[1, 1], [0, 1]]) (I, J, K, L) = (2, 2, 3, 1) F = numpy.array([[1, 2, 3], [4, 5, 6]]) S = numpy.array([[7], [8], [9]]) G = numpy.array([[10], [11]]) #R_predicted = numpy.array([[500,550],[1220,1342]],dtype=float) nmtf = NMTF(R, M, K, L) nmtf.F = F nmtf.S = S nmtf.G = G expected_I_div = sum([ 1.0 * math.log(1.0 / 500.0) - 1.0 + 500.0, 2.0 * math.log(2.0 / 550.0) - 2.0 + 550.0, 4.0 * math.log(4.0 / 1342.0) - 4.0 + 1342.0 ]) nmtf = NMTF(R, M, K, L) nmtf.F = F nmtf.S = S nmtf.G = G I_div = nmtf.compute_I_div() assert I_div == expected_I_div
def test_updates(): R = numpy.array([[1, 2], [3, 4]], dtype='f') M = numpy.array([[1, 1], [0, 1]]) I, J, K, L = 2, 2, 3, 1 F = numpy.array([[1, 2, 3], [4, 5, 6]], dtype='f') S = numpy.array([[7], [8], [9]], dtype='f') G = numpy.array([[10], [11]], dtype='f') FSG = numpy.array([[500, 550], [1220, 1342]], dtype='f') FS = numpy.array([[50], [122]], dtype='f') SG = numpy.array([[70, 77], [80, 88], [90, 99]], dtype='f') F_updated = [[ F[0][0] * (R[0][0] * SG[0][0] / FSG[0][0] + R[0][1] * SG[0][1] / FSG[0][1]) / (SG[0][0] + SG[0][1]), F[0][1] * (R[0][0] * SG[1][0] / FSG[0][0] + R[0][1] * SG[1][1] / FSG[0][1]) / (SG[1][0] + SG[1][1]), F[0][2] * (R[0][0] * SG[2][0] / FSG[0][0] + R[0][1] * SG[2][1] / FSG[0][1]) / (SG[2][0] + SG[2][1]) ], [ F[1][0] * R[1][1] / FSG[1][1], F[1][1] * R[1][1] / FSG[1][1], F[1][2] * R[1][1] / FSG[1][1] ]] G_updated = [ [G[0][0] * R[0][0] / FSG[0][0]], [ G[1][0] * (R[0][1] * FS[0][0] / FSG[0][1] + R[1][1] * FS[1][0] / FSG[1][1]) / (FS[0][0] + FS[1][0]) ] ] S_updated = [ [ S[0][0] * (R[0][0] * F[0][0] * G[0][0] / FSG[0][0] + R[0][1] * F[0][0] * G[1][0] / FSG[0][1] + R[1][1] * F[1][0] * G[1][0] / FSG[1][1]) / (F[0][0] * G[0][0] + F[0][0] * G[1][0] + F[1][0] * G[1][0]) ], [ S[1][0] * (R[0][0] * F[0][1] * G[0][0] / FSG[0][0] + R[0][1] * F[0][1] * G[1][0] / FSG[0][1] + R[1][1] * F[1][1] * G[1][0] / FSG[1][1]) / (F[0][1] * G[0][0] + F[0][1] * G[1][0] + F[1][1] * G[1][0]) ], [ S[2][0] * (R[0][0] * F[0][2] * G[0][0] / FSG[0][0] + R[0][1] * F[0][2] * G[1][0] / FSG[0][1] + R[1][1] * F[1][2] * G[1][0] / FSG[1][1]) / (F[0][2] * G[0][0] + F[0][2] * G[1][0] + F[1][2] * G[1][0]) ] ] nmtf = NMTF(R, M, K, L) def reset(): nmtf.F = numpy.copy(F) nmtf.S = numpy.copy(S) nmtf.G = numpy.copy(G) print F[0][0], (R[0][0] * SG[0][0] / FSG[0][0] + R[0][1] * SG[0][1] / FSG[0][1]), (SG[0][0] + SG[0][1]) print F[1][0], R[1][1] / FSG[1][1] * SG[0][1], SG[0][1] # Test F for k in range(0, K): reset() nmtf.update_F(k) for i in range(0, I): print i, k assert abs(F_updated[i][k] - nmtf.F[i, k]) < 0.000000001 # Test G for l in range(0, L): reset() nmtf.update_G(l) for j in range(0, J): assert abs(G_updated[j][l] - nmtf.G[j, l]) < 0.000000001 # Test S def test_S(k, l): reset() nmtf.update_S(k, l) assert abs(S_updated[k][l] - nmtf.S[k, l]) < 0.00000001 test_S(0, 0) test_S(1, 0) test_S(2, 0)
expo_prior = 1/10. # Load in data (_,R,M,_,_,_,_) = load_Sanger(standardised=standardised) # Run the VB algorithm, <repeats> times times_repeats = [] performances_repeats = [] for i in range(0,repeats): # Set all the seeds numpy.random.seed(3) # Run the classifier nmtf = NMTF(R,M,K,L) nmtf.initialise(init_S,init_FG,expo_prior) nmtf.run(iterations) # Extract the performances and timestamps across all iterations times_repeats.append(nmtf.all_times) performances_repeats.append(nmtf.all_performances) # Check whether seed worked: all performances should be the same assert all(numpy.array_equal(performances, performances_repeats[0]) for performances in performances_repeats), \ "Seed went wrong - performances not the same across repeats!" # Print out the performances, and the average times all_times_average = list(numpy.average(times_repeats, axis=0)) all_performances = performances_repeats[0] print "np_all_times_average = %s" % all_times_average