Пример #1
0
class TestCommittorSparse(unittest.TestCase):
    def setUp(self):
        p = np.zeros(100)
        q = np.zeros(100)
        p[0:-1] = 0.5
        q[1:] = 0.5
        p[49] = 0.01
        q[51] = 0.1

        self.bdc = BirthDeathChain(q, p)

    def tearDown(self):
        pass

    def test_forward_comittor(self):
        P = self.bdc.transition_matrix_sparse()
        un = committor(P, range(10), range(90, 100), forward=True)
        u = self.bdc.committor_forward(9, 90)
        assert_allclose(un, u)

    def test_backward_comittor(self):
        P = self.bdc.transition_matrix_sparse()
        un = committor(P, range(10), range(90, 100), forward=False)
        u = self.bdc.committor_backward(9, 90)
        assert_allclose(un, u)
Пример #2
0
class TestCommittorSparse(unittest.TestCase):
    def setUp(self):
        p = np.zeros(100)
        q = np.zeros(100)
        p[0:-1] = 0.5
        q[1:] = 0.5
        p[49] = 0.01
        q[51] = 0.1

        self.bdc = BirthDeathChain(q, p)

    def tearDown(self):
        pass

    def test_forward_comittor(self):
        P = self.bdc.transition_matrix_sparse()
        un = committor(P, range(10), range(90, 100), forward=True)
        u = self.bdc.committor_forward(9, 90)
        assert_allclose(un, u)

    def test_backward_comittor(self):
        P = self.bdc.transition_matrix_sparse()
        un = committor(P, range(10), range(90, 100), forward=False)
        u = self.bdc.committor_backward(9, 90)
        assert_allclose(un, u)
Пример #3
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class TestCorrelationSparse(unittest.TestCase):
    def setUp(self):
        self.k = 4

        p = np.zeros(10)
        q = np.zeros(10)
        p[0:-1] = 0.5
        q[1:] = 0.5
        p[4] = 0.01
        q[6] = 0.1

        self.bdc = BirthDeathChain(q, p)

        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()
        R, D, L = rdl_decomposition(self.T, k=self.k)
        self.L = L
        self.R = R
        self.ts = timescales(self.T, k=self.k)
        self.times = np.array([1, 5, 10, 20, 100])

        ev = np.diagonal(D)
        self.ev_t = ev[np.newaxis, :]**self.times[:, np.newaxis]

        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        obs2 = np.zeros(10)
        obs2[8] = 1
        obs2[9] = 1

        self.obs1 = obs1
        self.obs2 = obs2
        self.one_vec = np.ones(10)

    def test_correlation(self):
        """Auto-correlation"""
        acorr_amp = np.dot(self.mu * self.obs1, self.R) * np.dot(
            self.L, self.obs1)
        acorr = np.dot(self.ev_t, acorr_amp)
        acorrn = correlation(self.T, self.obs1, k=self.k, times=self.times)
        assert_allclose(acorrn, acorr)
        """Cross-correlation"""
        corr_amp = np.dot(self.mu * self.obs1, self.R) * np.dot(
            self.L, self.obs2)
        corr = np.dot(self.ev_t, corr_amp)
        corrn = correlation(self.T,
                            self.obs1,
                            obs2=self.obs2,
                            k=self.k,
                            times=self.times)
        assert_allclose(corrn, corr)
Пример #4
0
class TestCorrelationSparse(unittest.TestCase):
    def setUp(self):
        self.k=4

        p=np.zeros(10)
        q=np.zeros(10)
        p[0:-1]=0.5
        q[1:]=0.5
        p[4]=0.01
        q[6]=0.1

        self.bdc=BirthDeathChain(q, p)
        
        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()
        R, D, L=rdl_decomposition(self.T, k=self.k)
        self.L=L
        self.R=R
        self.ts=timescales(self.T, k=self.k)
        self.times=np.array([1, 5, 10, 20, 100])

        ev=np.diagonal(D)
        self.ev_t=ev[np.newaxis,:]**self.times[:,np.newaxis]

        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        obs2 = np.zeros(10)
        obs2[8] = 1
        obs2[9] = 1

        self.obs1=obs1
        self.obs2=obs2
        self.one_vec=np.ones(10)

    def test_correlation(self):
        """Auto-correlation"""
        acorr_amp=np.dot(self.mu*self.obs1, self.R)*np.dot(self.L, self.obs1)
        acorr=np.dot(self.ev_t, acorr_amp)
        acorrn=correlation(self.T, self.obs1, k=self.k, times=self.times)
        self.assertTrue(np.allclose(acorrn, acorr))

  
        """Cross-correlation"""
        corr_amp=np.dot(self.mu*self.obs1, self.R)*np.dot(self.L, self.obs2)
        corr=np.dot(self.ev_t, corr_amp)    
        corrn=correlation(self.T, self.obs1, obs2=self.obs2, k=self.k, times=self.times)
        self.assertTrue(np.allclose(corrn, corr))    
Пример #5
0
class TestRelaxationSparse(unittest.TestCase):
    def setUp(self):
        self.k = 4

        p = np.zeros(10)
        q = np.zeros(10)
        p[0:-1] = 0.5
        q[1:] = 0.5
        p[4] = 0.01
        q[6] = 0.1

        self.bdc = BirthDeathChain(q, p)

        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()
        """Test matrix-vector product against spectral decomposition"""
        R, D, L = rdl_decomposition(self.T, k=self.k)
        self.L = L
        self.R = R
        self.ts = timescales(self.T, k=self.k)
        self.times = np.array([1, 5, 10, 20, 100])

        ev = np.diagonal(D)
        self.ev_t = ev[np.newaxis, :]**self.times[:, np.newaxis]
        """Observable"""
        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        self.obs = obs1
        """Initial distribution"""
        w0 = np.zeros(10)
        w0[0:4] = 0.25
        self.p0 = w0

    def test_relaxation(self):
        relax_amp = np.dot(self.p0, self.R) * np.dot(self.L, self.obs)
        relax = np.dot(self.ev_t, relax_amp)
        relaxn = relaxation(self.T,
                            self.p0,
                            self.obs,
                            k=self.k,
                            times=self.times)
        assert_allclose(relaxn, relax)
Пример #6
0
class TestRelaxationSparse(unittest.TestCase):
    def setUp(self):
        self.k=4

        p=np.zeros(10)
        q=np.zeros(10)
        p[0:-1]=0.5
        q[1:]=0.5
        p[4]=0.01
        q[6]=0.1

        self.bdc=BirthDeathChain(q, p)
        
        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()

        """Test matrix-vector product against spectral decomposition"""        
        R, D, L=rdl_decomposition(self.T, k=self.k)
        self.L=L
        self.R=R
        self.ts=timescales(self.T, k=self.k)
        self.times=np.array([1, 5, 10, 20, 100])

        ev=np.diagonal(D)
        self.ev_t=ev[np.newaxis,:]**self.times[:,np.newaxis]

        """Observable"""
        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        self.obs=obs1

        """Initial distribution"""
        w0=np.zeros(10)
        w0[0:4]=0.25
        self.p0=w0     

    def test_relaxation(self):        
        relax_amp=np.dot(self.p0, self.R)*np.dot(self.L, self.obs)
        relax=np.dot(self.ev_t, relax_amp)        
        relaxn=relaxation(self.T, self.p0, self.obs, k=self.k, times=self.times)        
        self.assertTrue(np.allclose(relaxn, relax))                   
Пример #7
0
class TestDecomposition(unittest.TestCase):
    def setUp(self):
        self.dim=100
        self.k=10
        self.ncv=40
        
        """Set up meta-stable birth-death chain"""
        p=np.zeros(self.dim)
        p[0:-1]=0.5
        
        q=np.zeros(self.dim)
        q[1:]=0.5

        p[self.dim/2-1]=0.001
        q[self.dim/2+1]=0.001
        
        self.bdc=BirthDeathChain(q, p)

    def test_statdist_decomposition(self):
        P=self.bdc.transition_matrix_sparse()
        mu=self.bdc.stationary_distribution()
        mun=stationary_distribution_from_eigenvector(P, ncv=self.ncv)
        self.assertTrue(np.allclose(mu, mun))

    def test_statdist_iteration(self):
        P=self.bdc.transition_matrix_sparse()
        mu=self.bdc.stationary_distribution()
        mun=stationary_distribution_from_backward_iteration(P)
        self.assertTrue(np.allclose(mu, mun))

    def test_eigenvalues(self):
        P=self.bdc.transition_matrix()
        P_dense=self.bdc.transition_matrix()
        ev=eigvals(P_dense)
        """Sort with decreasing magnitude"""
        ev=ev[np.argsort(np.abs(ev))[::-1]]
        
        """k=None"""
        with self.assertRaises(ValueError):
            evn=eigenvalues(P)
        
        """k is not None"""
        evn=eigenvalues(P, k=self.k)
        self.assertTrue(np.allclose(ev[0:self.k], evn))

        """k is not None and ncv is not None"""
        evn=eigenvalues(P, k=self.k, ncv=self.ncv)
        self.assertTrue(np.allclose(ev[0:self.k], evn))

    def test_eigenvectors(self):
        P_dense=self.bdc.transition_matrix()
        P=self.bdc.transition_matrix_sparse()
        ev, L, R=eig(P_dense, left=True, right=True)
        ind=np.argsort(np.abs(ev))[::-1]
        ev=ev[ind]
        R=R[:,ind]
        L=L[:,ind]        
        vals=ev[0:self.k]

        """k=None"""
        with self.assertRaises(ValueError):
            Rn=eigenvectors(P)

        with self.assertRaises(ValueError):
            Ln=eigenvectors(P, right=False)

        """k is not None"""
        Rn=eigenvectors(P, k=self.k)        
        self.assertTrue(np.allclose(vals[np.newaxis,:]*Rn, P.dot(Rn)))

        Ln=eigenvectors(P, right=False, k=self.k)
        self.assertTrue(np.allclose(P.transpose().dot(Ln), vals[np.newaxis,:]*Ln))

        """k is not None and ncv is not None"""
        Rn=eigenvectors(P, k=self.k, ncv=self.ncv)        
        self.assertTrue(np.allclose(vals[np.newaxis,:]*Rn, P.dot(Rn)))

        Ln=eigenvectors(P, right=False, k=self.k, ncv=self.ncv)
        self.assertTrue(np.allclose(P.transpose().dot(Ln), vals[np.newaxis,:]*Ln))

    def test_rdl_decomposition(self):
        P=self.bdc.transition_matrix_sparse()
        mu=self.bdc.stationary_distribution()

        """Non-reversible"""

        """k=None"""
        with self.assertRaises(ValueError):
            Rn, Dn, Ln=rdl_decomposition(P)        

        """k is not None"""
        Rn, Dn, Ln=rdl_decomposition(P, k=self.k)        
        Xn=np.dot(Ln, Rn)
        """Right-eigenvectors"""
        self.assertTrue(np.allclose(P.dot(Rn), np.dot(Rn, Dn)))    
        """Left-eigenvectors"""
        self.assertTrue(np.allclose(P.transpose().dot(Ln.transpose()).transpose(), np.dot(Dn, Ln)))               
        """Orthonormality"""
        self.assertTrue(np.allclose(Xn, np.eye(self.k)))
        """Probability vector"""
        self.assertTrue(np.allclose(np.sum(Ln[0,:]), 1.0))

        """k is not None, ncv is not None"""
        Rn, Dn, Ln=rdl_decomposition(P, k=self.k, ncv=self.ncv)        
        Xn=np.dot(Ln, Rn)
        """Right-eigenvectors"""
        self.assertTrue(np.allclose(P.dot(Rn), np.dot(Rn, Dn)))    
        """Left-eigenvectors"""
        self.assertTrue(np.allclose(P.transpose().dot(Ln.transpose()).transpose(), np.dot(Dn, Ln)))               
        """Orthonormality"""
        self.assertTrue(np.allclose(Xn, np.eye(self.k)))
        """Probability vector"""
        self.assertTrue(np.allclose(np.sum(Ln[0,:]), 1.0))

        """Reversible"""

        """k=None"""
        with self.assertRaises(ValueError):
            Rn, Dn, Ln=rdl_decomposition(P, norm='reversible')        

        """k is not None"""
        Rn, Dn, Ln=rdl_decomposition(P, k=self.k, norm='reversible')        
        Xn=np.dot(Ln, Rn)
        """Right-eigenvectors"""
        self.assertTrue(np.allclose(P.dot(Rn), np.dot(Rn, Dn)))    
        """Left-eigenvectors"""
        self.assertTrue(np.allclose(P.transpose().dot(Ln.transpose()).transpose(), np.dot(Dn, Ln)))               
        """Orthonormality"""
        self.assertTrue(np.allclose(Xn, np.eye(self.k)))
        """Probability vector"""
        self.assertTrue(np.allclose(np.sum(Ln[0,:]), 1.0))
        """Reversibility"""
        self.assertTrue(np.allclose(Ln.transpose(), mu[:,np.newaxis]*Rn))

        """k is not None ncv is not None"""
        Rn, Dn, Ln=rdl_decomposition(P, k=self.k, norm='reversible', ncv=self.ncv)        
        Xn=np.dot(Ln, Rn)
        """Right-eigenvectors"""
        self.assertTrue(np.allclose(P.dot(Rn), np.dot(Rn, Dn)))    
        """Left-eigenvectors"""
        self.assertTrue(np.allclose(P.transpose().dot(Ln.transpose()).transpose(), np.dot(Dn, Ln)))               
        """Orthonormality"""
        self.assertTrue(np.allclose(Xn, np.eye(self.k)))
        """Probability vector"""
        self.assertTrue(np.allclose(np.sum(Ln[0,:]), 1.0))
        """Reversibility"""
        self.assertTrue(np.allclose(Ln.transpose(), mu[:,np.newaxis]*Rn))

    def test_timescales(self):
        P_dense=self.bdc.transition_matrix()
        P=self.bdc.transition_matrix_sparse()
        ev=eigvals(P_dense)
        """Sort with decreasing magnitude"""
        ev=ev[np.argsort(np.abs(ev))[::-1]]
        ts=-1.0/np.log(np.abs(ev))

        """k=None"""
        with self.assertRaises(ValueError):
            tsn=timescales(P)

        """k is not None"""
        tsn=timescales(P, k=self.k)
        self.assertTrue(np.allclose(ts[1:self.k], tsn[1:]))

        """k is not None, ncv is not None"""
        tsn=timescales(P, k=self.k, ncv=self.ncv)
        self.assertTrue(np.allclose(ts[1:self.k], tsn[1:]))
        

        """tau=7"""      

        """k is not None"""
        tsn=timescales(P, k=self.k, tau=7)
        self.assertTrue(np.allclose(7*ts[1:self.k], tsn[1:]))
Пример #8
0
class TestDecomposition(unittest.TestCase):
    def setUp(self):
        self.dim = 100
        self.k = 10
        self.ncv = 40
        """Set up meta-stable birth-death chain"""
        p = np.zeros(self.dim)
        p[0:-1] = 0.5

        q = np.zeros(self.dim)
        q[1:] = 0.5

        p[self.dim / 2 - 1] = 0.001
        q[self.dim / 2 + 1] = 0.001

        self.bdc = BirthDeathChain(q, p)

    def test_statdist_decomposition(self):
        P = self.bdc.transition_matrix_sparse()
        mu = self.bdc.stationary_distribution()
        mun = stationary_distribution_from_eigenvector(P, ncv=self.ncv)
        assert_allclose(mu, mun)

    def test_statdist_iteration(self):
        P = self.bdc.transition_matrix_sparse()
        mu = self.bdc.stationary_distribution()
        mun = stationary_distribution_from_backward_iteration(P)
        assert_allclose(mu, mun)

    def test_eigenvalues(self):
        P = self.bdc.transition_matrix()
        P_dense = self.bdc.transition_matrix()
        ev = eigvals(P_dense)
        """Sort with decreasing magnitude"""
        ev = ev[np.argsort(np.abs(ev))[::-1]]
        """k=None"""
        with self.assertRaises(ValueError):
            evn = eigenvalues(P)
        """k is not None"""
        evn = eigenvalues(P, k=self.k)
        assert_allclose(ev[0:self.k], evn)
        """k is not None and ncv is not None"""
        evn = eigenvalues(P, k=self.k, ncv=self.ncv)
        assert_allclose(ev[0:self.k], evn)

    def test_eigenvectors(self):
        P_dense = self.bdc.transition_matrix()
        P = self.bdc.transition_matrix_sparse()
        ev, L, R = eig(P_dense, left=True, right=True)
        ind = np.argsort(np.abs(ev))[::-1]
        ev = ev[ind]
        R = R[:, ind]
        L = L[:, ind]
        vals = ev[0:self.k]
        """k=None"""
        with self.assertRaises(ValueError):
            Rn = eigenvectors(P)

        with self.assertRaises(ValueError):
            Ln = eigenvectors(P, right=False)
        """k is not None"""
        Rn = eigenvectors(P, k=self.k)
        assert_allclose(vals[np.newaxis, :] * Rn, P.dot(Rn))

        Ln = eigenvectors(P, right=False, k=self.k)
        assert_allclose(P.transpose().dot(Ln), vals[np.newaxis, :] * Ln)
        """k is not None and ncv is not None"""
        Rn = eigenvectors(P, k=self.k, ncv=self.ncv)
        assert_allclose(vals[np.newaxis, :] * Rn, P.dot(Rn))

        Ln = eigenvectors(P, right=False, k=self.k, ncv=self.ncv)
        assert_allclose(P.transpose().dot(Ln), vals[np.newaxis, :] * Ln)

    def test_rdl_decomposition(self):
        P = self.bdc.transition_matrix_sparse()
        mu = self.bdc.stationary_distribution()
        """Non-reversible"""
        """k=None"""
        with self.assertRaises(ValueError):
            Rn, Dn, Ln = rdl_decomposition(P)
        """k is not None"""
        Rn, Dn, Ln = rdl_decomposition(P, k=self.k)
        Xn = np.dot(Ln, Rn)
        """Right-eigenvectors"""
        assert_allclose(P.dot(Rn), np.dot(Rn, Dn))
        """Left-eigenvectors"""
        assert_allclose(P.transpose().dot(Ln.transpose()).transpose(),
                        np.dot(Dn, Ln))
        """Orthonormality"""
        assert_allclose(Xn, np.eye(self.k))
        """Probability vector"""
        assert_allclose(np.sum(Ln[0, :]), 1.0)
        """k is not None, ncv is not None"""
        Rn, Dn, Ln = rdl_decomposition(P, k=self.k, ncv=self.ncv)
        Xn = np.dot(Ln, Rn)
        """Right-eigenvectors"""
        assert_allclose(P.dot(Rn), np.dot(Rn, Dn))
        """Left-eigenvectors"""
        assert_allclose(P.transpose().dot(Ln.transpose()).transpose(),
                        np.dot(Dn, Ln))
        """Orthonormality"""
        assert_allclose(Xn, np.eye(self.k))
        """Probability vector"""
        assert_allclose(np.sum(Ln[0, :]), 1.0)
        """Reversible"""
        """k=None"""
        with self.assertRaises(ValueError):
            Rn, Dn, Ln = rdl_decomposition(P, norm='reversible')
        """k is not None"""
        Rn, Dn, Ln = rdl_decomposition(P, k=self.k, norm='reversible')
        Xn = np.dot(Ln, Rn)
        """Right-eigenvectors"""
        assert_allclose(P.dot(Rn), np.dot(Rn, Dn))
        """Left-eigenvectors"""
        assert_allclose(P.transpose().dot(Ln.transpose()).transpose(),
                        np.dot(Dn, Ln))
        """Orthonormality"""
        assert_allclose(Xn, np.eye(self.k))
        """Probability vector"""
        assert_allclose(np.sum(Ln[0, :]), 1.0)
        """Reversibility"""
        assert_allclose(Ln.transpose(), mu[:, np.newaxis] * Rn)
        """k is not None ncv is not None"""
        Rn, Dn, Ln = rdl_decomposition(P,
                                       k=self.k,
                                       norm='reversible',
                                       ncv=self.ncv)
        Xn = np.dot(Ln, Rn)
        """Right-eigenvectors"""
        assert_allclose(P.dot(Rn), np.dot(Rn, Dn))
        """Left-eigenvectors"""
        assert_allclose(P.transpose().dot(Ln.transpose()).transpose(),
                        np.dot(Dn, Ln))
        """Orthonormality"""
        assert_allclose(Xn, np.eye(self.k))
        """Probability vector"""
        assert_allclose(np.sum(Ln[0, :]), 1.0)
        """Reversibility"""
        assert_allclose(Ln.transpose(), mu[:, np.newaxis] * Rn)

    def test_timescales(self):
        P_dense = self.bdc.transition_matrix()
        P = self.bdc.transition_matrix_sparse()
        ev = eigvals(P_dense)
        """Sort with decreasing magnitude"""
        ev = ev[np.argsort(np.abs(ev))[::-1]]
        ts = -1.0 / np.log(np.abs(ev))
        """k=None"""
        with self.assertRaises(ValueError):
            tsn = timescales(P)
        """k is not None"""
        tsn = timescales(P, k=self.k)
        assert_allclose(ts[1:self.k], tsn[1:])
        """k is not None, ncv is not None"""
        tsn = timescales(P, k=self.k, ncv=self.ncv)
        assert_allclose(ts[1:self.k], tsn[1:])
        """tau=7"""
        """k is not None"""
        tsn = timescales(P, k=self.k, tau=7)
        assert_allclose(7 * ts[1:self.k], tsn[1:])
Пример #9
0
class TestFingerprintSparse(unittest.TestCase):
    def setUp(self):
        self.k=4

        p=np.zeros(10)
        q=np.zeros(10)
        p[0:-1]=0.5
        q[1:]=0.5
        p[4]=0.01
        q[6]=0.1

        self.bdc=BirthDeathChain(q, p)
        
        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()
        R, D, L=rdl_decomposition(self.T, k=self.k)
        self.L=L
        self.R=R
        self.ts=timescales(self.T, k=self.k)
        self.times=np.array([1, 5, 10, 20])

        ev=np.diagonal(D)
        self.ev_t=ev[np.newaxis,:]**self.times[:,np.newaxis]

        self.tau=7.5

        """Observables"""
        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        obs2 = np.zeros(10)
        obs2[8] = 1
        obs2[9] = 1

        self.obs1=obs1
        self.obs2=obs2

        """Initial vector for relaxation"""
        w0=np.zeros(10)
        w0[0:4]=0.25
        self.p0=w0     

    def test_fingerprint_correlation(self):
        """Autocorrelation"""

        """k=4, tau=1"""
        k=self.k
        acorr_amp=np.dot(self.mu*self.obs1, self.R)*np.dot(self.L,self.obs1)
        tsn, acorr_ampn=fingerprint_correlation(self.T, self.obs1, k=k)
        self.assertTrue(np.allclose(tsn, self.ts))
        self.assertTrue(np.allclose(acorr_ampn, acorr_amp))

        """k=4, tau=7.5"""
        tau=self.tau
        tsn, acorr_ampn=fingerprint_correlation(self.T, self.obs1, k=k, tau=tau)
        self.assertTrue(np.allclose(tsn, tau*self.ts))
        self.assertTrue(np.allclose(acorr_ampn, acorr_amp))

        """Cross-correlation"""

        """k=4, tau=1"""
        k=self.k
        corr_amp=np.dot(self.mu*self.obs1, self.R)*np.dot(self.L,self.obs2)
        tsn, corr_ampn=fingerprint_correlation(self.T, self.obs1, obs2=self.obs2, k=k)
        self.assertTrue(np.allclose(tsn, self.ts))
        self.assertTrue(np.allclose(corr_ampn, corr_amp))

        """k=4, tau=7.5"""
        tau=self.tau
        tsn, corr_ampn=fingerprint_correlation(self.T, self.obs1, obs2=self.obs2, k=k, tau=tau)
        self.assertTrue(np.allclose(tsn, tau*self.ts))
        self.assertTrue(np.allclose(corr_ampn, corr_amp))

    def test_fingerprint_relaxation(self):
        one_vec=np.ones(self.T.shape[0])

        relax_amp=np.dot(self.p0, self.R)*np.dot(self.L, self.obs1)
        tsn, relax_ampn=fingerprint_relaxation(self.T, self.p0, self.obs1, k=self.k)        
        self.assertTrue(np.allclose(tsn, self.ts))
        self.assertTrue(np.allclose(relax_ampn, relax_amp))
Пример #10
0
class TestFingerprintSparse(unittest.TestCase):
    def setUp(self):
        self.k = 4

        p = np.zeros(10)
        q = np.zeros(10)
        p[0:-1] = 0.5
        q[1:] = 0.5
        p[4] = 0.01
        q[6] = 0.1

        self.bdc = BirthDeathChain(q, p)

        self.mu = self.bdc.stationary_distribution()
        self.T = self.bdc.transition_matrix_sparse()
        R, D, L = rdl_decomposition(self.T, k=self.k)
        self.L = L
        self.R = R
        self.ts = timescales(self.T, k=self.k)
        self.times = np.array([1, 5, 10, 20])

        ev = np.diagonal(D)
        self.ev_t = ev[np.newaxis, :]**self.times[:, np.newaxis]

        self.tau = 7.5
        """Observables"""
        obs1 = np.zeros(10)
        obs1[0] = 1
        obs1[1] = 1
        obs2 = np.zeros(10)
        obs2[8] = 1
        obs2[9] = 1

        self.obs1 = obs1
        self.obs2 = obs2
        """Initial vector for relaxation"""
        w0 = np.zeros(10)
        w0[0:4] = 0.25
        self.p0 = w0

    def test_fingerprint_correlation(self):
        """Autocorrelation"""
        """k=4, tau=1"""
        k = self.k
        acorr_amp = np.dot(self.mu * self.obs1, self.R) * np.dot(
            self.L, self.obs1)
        tsn, acorr_ampn = fingerprint_correlation(self.T, self.obs1, k=k)
        assert_allclose(tsn, self.ts)
        assert_allclose(acorr_ampn, acorr_amp)
        """k=4, tau=7.5"""
        tau = self.tau
        tsn, acorr_ampn = fingerprint_correlation(self.T,
                                                  self.obs1,
                                                  k=k,
                                                  tau=tau)
        assert_allclose(tsn, tau * self.ts)
        assert_allclose(acorr_ampn, acorr_amp)
        """Cross-correlation"""
        """k=4, tau=1"""
        k = self.k
        corr_amp = np.dot(self.mu * self.obs1, self.R) * np.dot(
            self.L, self.obs2)
        tsn, corr_ampn = fingerprint_correlation(self.T,
                                                 self.obs1,
                                                 obs2=self.obs2,
                                                 k=k)
        assert_allclose(tsn, self.ts)
        assert_allclose(corr_ampn, corr_amp)
        """k=4, tau=7.5"""
        tau = self.tau
        tsn, corr_ampn = fingerprint_correlation(self.T,
                                                 self.obs1,
                                                 obs2=self.obs2,
                                                 k=k,
                                                 tau=tau)
        assert_allclose(tsn, tau * self.ts)
        assert_allclose(corr_ampn, corr_amp)

    def test_fingerprint_relaxation(self):
        one_vec = np.ones(self.T.shape[0])

        relax_amp = np.dot(self.p0, self.R) * np.dot(self.L, self.obs1)
        tsn, relax_ampn = fingerprint_relaxation(self.T,
                                                 self.p0,
                                                 self.obs1,
                                                 k=self.k)
        assert_allclose(tsn, self.ts)
        assert_allclose(relax_ampn, relax_amp)