diff options
author | Rémi Flamary <remi.flamary@gmail.com> | 2018-09-24 10:37:30 +0200 |
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committer | Rémi Flamary <remi.flamary@gmail.com> | 2018-09-24 10:37:30 +0200 |
commit | 9fb56beed1ca54bf3913f6a9ea589173b2a5097f (patch) | |
tree | edb1f325f78c6fe01daf7ae64caf99e6b162f4fc /ot | |
parent | 697bd55a152d6318e292cffdac2ec18ac4528d30 (diff) | |
parent | c9b99df8fffec1dcc6802ef43b6192774817c5fb (diff) |
Merge branch 'master' into prV0.5
Diffstat (limited to 'ot')
-rw-r--r-- | ot/bregman.py | 125 | ||||
-rw-r--r-- | ot/da.py | 284 | ||||
-rw-r--r-- | ot/stochastic.py | 179 |
3 files changed, 162 insertions, 426 deletions
diff --git a/ot/bregman.py b/ot/bregman.py index c8e69ce..35e51f8 100644 --- a/ot/bregman.py +++ b/ot/bregman.py @@ -350,7 +350,6 @@ def sinkhorn_knopp(a, b, M, reg, numItermax=1000, np.exp(K, out=K) # print(np.min(K)) - tmp = np.empty(K.shape, dtype=M.dtype) tmp2 = np.empty(b.shape, dtype=M.dtype) Kp = (1 / a).reshape(-1, 1) * K @@ -359,6 +358,7 @@ def sinkhorn_knopp(a, b, M, reg, numItermax=1000, while (err > stopThr and cpt < numItermax): uprev = u vprev = v + KtransposeU = np.dot(K.T, u) v = np.divide(b, KtransposeU) u = 1. / np.dot(Kp, v) @@ -379,11 +379,9 @@ def sinkhorn_knopp(a, b, M, reg, numItermax=1000, err = np.sum((u - uprev)**2) / np.sum((u)**2) + \ np.sum((v - vprev)**2) / np.sum((v)**2) else: - np.multiply(u.reshape(-1, 1), K, out=tmp) - np.multiply(tmp, v.reshape(1, -1), out=tmp) - np.sum(tmp, axis=0, out=tmp2) - tmp2 -= b - err = np.linalg.norm(tmp2)**2 + # compute right marginal tmp2= (diag(u)Kdiag(v))^T1 + np.einsum('i,ij,j->j', u, K, v, out=tmp2) + err = np.linalg.norm(tmp2 - b)**2 # violation of marginal if log: log['err'].append(err) @@ -398,10 +396,7 @@ def sinkhorn_knopp(a, b, M, reg, numItermax=1000, log['v'] = v if nbb: # return only loss - res = np.zeros((nbb)) - for i in range(nbb): - res[i] = np.sum( - u[:, i].reshape((-1, 1)) * K * v[:, i].reshape((1, -1)) * M) + res = np.einsum('ik,ij,jk,ij->k', u, K, v, M) if log: return res, log else: @@ -924,6 +919,116 @@ def barycenter(A, M, reg, weights=None, numItermax=1000, return geometricBar(weights, UKv) +def convolutional_barycenter2d(A, reg, weights=None, numItermax=10000, stopThr=1e-9, stabThr=1e-30, verbose=False, log=False): + """Compute the entropic regularized wasserstein barycenter of distributions A + where A is a collection of 2D images. + + The function solves the following optimization problem: + + .. math:: + \mathbf{a} = arg\min_\mathbf{a} \sum_i W_{reg}(\mathbf{a},\mathbf{a}_i) + + where : + + - :math:`W_{reg}(\cdot,\cdot)` is the entropic regularized Wasserstein distance (see ot.bregman.sinkhorn) + - :math:`\mathbf{a}_i` are training distributions (2D images) in the mast two dimensions of matrix :math:`\mathbf{A}` + - reg is the regularization strength scalar value + + The algorithm used for solving the problem is the Sinkhorn-Knopp matrix scaling algorithm as proposed in [21]_ + + Parameters + ---------- + A : np.ndarray (n,w,h) + n distributions (2D images) of size w x h + reg : float + Regularization term >0 + weights : np.ndarray (n,) + Weights of each image on the simplex (barycentric coodinates) + numItermax : int, optional + Max number of iterations + stopThr : float, optional + Stop threshol on error (>0) + stabThr : float, optional + Stabilization threshold to avoid numerical precision issue + verbose : bool, optional + Print information along iterations + log : bool, optional + record log if True + + + Returns + ------- + a : (w,h) ndarray + 2D Wasserstein barycenter + log : dict + log dictionary return only if log==True in parameters + + + References + ---------- + + .. [21] Solomon, J., De Goes, F., Peyré, G., Cuturi, M., Butscher, A., Nguyen, A. & Guibas, L. (2015). + Convolutional wasserstein distances: Efficient optimal transportation on geometric domains + ACM Transactions on Graphics (TOG), 34(4), 66 + + + """ + + if weights is None: + weights = np.ones(A.shape[0]) / A.shape[0] + else: + assert(len(weights) == A.shape[0]) + + if log: + log = {'err': []} + + b = np.zeros_like(A[0, :, :]) + U = np.ones_like(A) + KV = np.ones_like(A) + + cpt = 0 + err = 1 + + # build the convolution operator + t = np.linspace(0, 1, A.shape[1]) + [Y, X] = np.meshgrid(t, t) + xi1 = np.exp(-(X - Y)**2 / reg) + + def K(x): + return np.dot(np.dot(xi1, x), xi1) + + while (err > stopThr and cpt < numItermax): + + bold = b + cpt = cpt + 1 + + b = np.zeros_like(A[0, :, :]) + for r in range(A.shape[0]): + KV[r, :, :] = K(A[r, :, :] / np.maximum(stabThr, K(U[r, :, :]))) + b += weights[r] * np.log(np.maximum(stabThr, U[r, :, :] * KV[r, :, :])) + b = np.exp(b) + for r in range(A.shape[0]): + U[r, :, :] = b / np.maximum(stabThr, KV[r, :, :]) + + if cpt % 10 == 1: + err = np.sum(np.abs(bold - b)) + # log and verbose print + if log: + log['err'].append(err) + + if verbose: + if cpt % 200 == 0: + print('{:5s}|{:12s}'.format('It.', 'Err') + '\n' + '-' * 19) + print('{:5d}|{:8e}|'.format(cpt, err)) + + if log: + log['niter'] = cpt + log['U'] = U + return b, log + else: + return b + + def unmix(a, D, M, M0, h0, reg, reg0, alpha, numItermax=1000, stopThr=1e-3, verbose=False, log=False): """ @@ -15,7 +15,7 @@ import scipy.linalg as linalg from .bregman import sinkhorn from .lp import emd from .utils import unif, dist, kernel, cost_normalization -from .utils import check_params, deprecated, BaseEstimator +from .utils import check_params, BaseEstimator from .optim import cg from .optim import gcg @@ -740,288 +740,6 @@ def OT_mapping_linear(xs, xt, reg=1e-6, ws=None, return A, b -@deprecated("The class OTDA is deprecated in 0.3.1 and will be " - "removed in 0.5" - "\n\tfor standard transport use class EMDTransport instead.") -class OTDA(object): - - """Class for domain adaptation with optimal transport as proposed in [5] - - - References - ---------- - - .. [5] N. Courty; R. Flamary; D. Tuia; A. Rakotomamonjy, - "Optimal Transport for Domain Adaptation," in IEEE Transactions on - Pattern Analysis and Machine Intelligence , vol.PP, no.99, pp.1-1 - - """ - - def __init__(self, metric='sqeuclidean', norm=None): - """ Class initialization""" - self.xs = 0 - self.xt = 0 - self.G = 0 - self.metric = metric - self.norm = norm - self.computed = False - - def fit(self, xs, xt, ws=None, wt=None, max_iter=100000): - """Fit domain adaptation between samples is xs and xt - (with optional weights)""" - self.xs = xs - self.xt = xt - - if wt is None: - wt = unif(xt.shape[0]) - if ws is None: - ws = unif(xs.shape[0]) - - self.ws = ws - self.wt = wt - - self.M = dist(xs, xt, metric=self.metric) - self.M = cost_normalization(self.M, self.norm) - self.G = emd(ws, wt, self.M, max_iter) - self.computed = True - - def interp(self, direction=1): - """Barycentric interpolation for the source (1) or target (-1) samples - - This Barycentric interpolation solves for each source (resp target) - sample xs (resp xt) the following optimization problem: - - .. math:: - arg\min_x \sum_i \gamma_{k,i} c(x,x_i^t) - - where k is the index of the sample in xs - - For the moment only squared euclidean distance is provided but more - metric could be used in the future. - - """ - if direction > 0: # >0 then source to target - G = self.G - w = self.ws.reshape((self.xs.shape[0], 1)) - x = self.xt - else: - G = self.G.T - w = self.wt.reshape((self.xt.shape[0], 1)) - x = self.xs - - if self.computed: - if self.metric == 'sqeuclidean': - return np.dot(G / w, x) # weighted mean - else: - print( - "Warning, metric not handled yet, using weighted average") - return np.dot(G / w, x) # weighted mean - return None - else: - print("Warning, model not fitted yet, returning None") - return None - - def predict(self, x, direction=1): - """ Out of sample mapping using the formulation from [6] - - For each sample x to map, it finds the nearest source sample xs and - map the samle x to the position xst+(x-xs) wher xst is the barycentric - interpolation of source sample xs. - - References - ---------- - - .. [6] Ferradans, S., Papadakis, N., Peyré, G., & Aujol, J. F. (2014). - Regularized discrete optimal transport. SIAM Journal on Imaging - Sciences, 7(3), 1853-1882. - - """ - if direction > 0: # >0 then source to target - xf = self.xt - x0 = self.xs - else: - xf = self.xs - x0 = self.xt - - D0 = dist(x, x0) # dist netween new samples an source - idx = np.argmin(D0, 1) # closest one - xf = self.interp(direction) # interp the source samples - # aply the delta to the interpolation - return xf[idx, :] + x - x0[idx, :] - - -@deprecated("The class OTDA_sinkhorn is deprecated in 0.3.1 and will be" - " removed in 0.5 \nUse class SinkhornTransport instead.") -class OTDA_sinkhorn(OTDA): - - """Class for domain adaptation with optimal transport with entropic - regularization - - - """ - - def fit(self, xs, xt, reg=1, ws=None, wt=None, **kwargs): - """Fit regularized domain adaptation between samples is xs and xt - (with optional weights)""" - self.xs = xs - self.xt = xt - - if wt is None: - wt = unif(xt.shape[0]) - if ws is None: - ws = unif(xs.shape[0]) - - self.ws = ws - self.wt = wt - - self.M = dist(xs, xt, metric=self.metric) - self.M = cost_normalization(self.M, self.norm) - self.G = sinkhorn(ws, wt, self.M, reg, **kwargs) - self.computed = True - - -@deprecated("The class OTDA_lpl1 is deprecated in 0.3.1 and will be" - " removed in 0.5 \nUse class SinkhornLpl1Transport instead.") -class OTDA_lpl1(OTDA): - - """Class for domain adaptation with optimal transport with entropic and - group regularization""" - - def fit(self, xs, ys, xt, reg=1, eta=1, ws=None, wt=None, **kwargs): - """Fit regularized domain adaptation between samples is xs and xt - (with optional weights), See ot.da.sinkhorn_lpl1_mm for fit - parameters""" - self.xs = xs - self.xt = xt - - if wt is None: - wt = unif(xt.shape[0]) - if ws is None: - ws = unif(xs.shape[0]) - - self.ws = ws - self.wt = wt - - self.M = dist(xs, xt, metric=self.metric) - self.M = cost_normalization(self.M, self.norm) - self.G = sinkhorn_lpl1_mm(ws, ys, wt, self.M, reg, eta, **kwargs) - self.computed = True - - -@deprecated("The class OTDA_l1L2 is deprecated in 0.3.1 and will be" - " removed in 0.5 \nUse class SinkhornL1l2Transport instead.") -class OTDA_l1l2(OTDA): - - """Class for domain adaptation with optimal transport with entropic - and group lasso regularization""" - - def fit(self, xs, ys, xt, reg=1, eta=1, ws=None, wt=None, **kwargs): - """Fit regularized domain adaptation between samples is xs and xt - (with optional weights), See ot.da.sinkhorn_lpl1_gl for fit - parameters""" - self.xs = xs - self.xt = xt - - if wt is None: - wt = unif(xt.shape[0]) - if ws is None: - ws = unif(xs.shape[0]) - - self.ws = ws - self.wt = wt - - self.M = dist(xs, xt, metric=self.metric) - self.M = cost_normalization(self.M, self.norm) - self.G = sinkhorn_l1l2_gl(ws, ys, wt, self.M, reg, eta, **kwargs) - self.computed = True - - -@deprecated("The class OTDA_mapping_linear is deprecated in 0.3.1 and will be" - " removed in 0.5 \nUse class MappingTransport instead.") -class OTDA_mapping_linear(OTDA): - - """Class for optimal transport with joint linear mapping estimation as in - [8] - """ - - def __init__(self): - """ Class initialization""" - - self.xs = 0 - self.xt = 0 - self.G = 0 - self.L = 0 - self.bias = False - self.computed = False - self.metric = 'sqeuclidean' - - def fit(self, xs, xt, mu=1, eta=1, bias=False, **kwargs): - """ Fit domain adaptation between samples is xs and xt (with optional - weights)""" - self.xs = xs - self.xt = xt - self.bias = bias - - self.ws = unif(xs.shape[0]) - self.wt = unif(xt.shape[0]) - - self.G, self.L = joint_OT_mapping_linear( - xs, xt, mu=mu, eta=eta, bias=bias, **kwargs) - self.computed = True - - def mapping(self): - return lambda x: self.predict(x) - - def predict(self, x): - """ Out of sample mapping estimated during the call to fit""" - if self.computed: - if self.bias: - x = np.hstack((x, np.ones((x.shape[0], 1)))) - return x.dot(self.L) # aply the delta to the interpolation - else: - print("Warning, model not fitted yet, returning None") - return None - - -@deprecated("The class OTDA_mapping_kernel is deprecated in 0.3.1 and will be" - " removed in 0.5 \nUse class MappingTransport instead.") -class OTDA_mapping_kernel(OTDA_mapping_linear): - - """Class for optimal transport with joint nonlinear mapping - estimation as in [8]""" - - def fit(self, xs, xt, mu=1, eta=1, bias=False, kerneltype='gaussian', - sigma=1, **kwargs): - """ Fit domain adaptation between samples is xs and xt """ - self.xs = xs - self.xt = xt - self.bias = bias - - self.ws = unif(xs.shape[0]) - self.wt = unif(xt.shape[0]) - self.kernel = kerneltype - self.sigma = sigma - self.kwargs = kwargs - - self.G, self.L = joint_OT_mapping_kernel( - xs, xt, mu=mu, eta=eta, bias=bias, **kwargs) - self.computed = True - - def predict(self, x): - """ Out of sample mapping estimated during the call to fit""" - - if self.computed: - K = kernel( - x, self.xs, method=self.kernel, sigma=self.sigma, - **self.kwargs) - if self.bias: - K = np.hstack((K, np.ones((x.shape[0], 1)))) - return K.dot(self.L) - else: - print("Warning, model not fitted yet, returning None") - return None - - def distribution_estimation_uniform(X): """estimates a uniform distribution from an array of samples X diff --git a/ot/stochastic.py b/ot/stochastic.py index 5e8206e..ec53015 100644 --- a/ot/stochastic.py +++ b/ot/stochastic.py @@ -435,8 +435,8 @@ def solve_semi_dual_entropic(a, b, M, reg, method, numItermax=10000, lr=None, ############################################################################## -def batch_grad_dual_alpha(M, reg, alpha, beta, batch_size, batch_alpha, - batch_beta): +def batch_grad_dual(a, b, M, reg, alpha, beta, batch_size, batch_alpha, + batch_beta): ''' Computes the partial gradient of F_\W_varepsilon @@ -444,104 +444,31 @@ def batch_grad_dual_alpha(M, reg, alpha, beta, batch_size, batch_alpha, ..math: \forall i in batch_alpha, - grad_alpha_i = 1 * batch_size - - sum_{j in batch_beta} exp((alpha_i + beta_j - M_{i,j})/reg) + grad_alpha_i = alpha_i * batch_size/len(beta) - + sum_{j in batch_beta} exp((alpha_i + beta_j - M_{i,j})/reg) + * a_i * b_j - where : - - M is the (ns,nt) metric cost matrix - - alpha, beta are dual variables in R^ixR^J - - reg is the regularization term - - batch_alpha and batch_beta are list of index - - The algorithm used for solving the dual problem is the SGD algorithm - as proposed in [19]_ [alg.1] - - Parameters - ---------- - - reg : float number, - Regularization term > 0 - M : np.ndarray(ns, nt), - cost matrix - alpha : np.ndarray(ns,) - dual variable - beta : np.ndarray(nt,) - dual variable - batch_size : int number - size of the batch - batch_alpha : np.ndarray(bs,) - batch of index of alpha - batch_beta : np.ndarray(bs,) - batch of index of beta - - Returns - ------- - - grad : np.ndarray(ns,) - partial grad F in alpha - - Examples - -------- - - >>> n_source = 7 - >>> n_target = 4 - >>> reg = 1 - >>> numItermax = 20000 - >>> lr = 0.1 - >>> batch_size = 3 - >>> log = True - >>> a = ot.utils.unif(n_source) - >>> b = ot.utils.unif(n_target) - >>> rng = np.random.RandomState(0) - >>> X_source = rng.randn(n_source, 2) - >>> Y_target = rng.randn(n_target, 2) - >>> M = ot.dist(X_source, Y_target) - >>> sgd_dual_pi, log = stochastic.solve_dual_entropic(a, b, M, reg, - batch_size, - numItermax, lr, log) - >>> print(log['alpha'], log['beta']) - >>> print(sgd_dual_pi) - - References - ---------- - - [Seguy et al., 2018] : - International Conference on Learning Representation (2018), - arXiv preprint arxiv:1711.02283. - ''' - - grad_alpha = np.zeros(batch_size) - grad_alpha[:] = batch_size - for j in batch_beta: - grad_alpha -= np.exp((alpha[batch_alpha] + beta[j] - - M[batch_alpha, j]) / reg) - return grad_alpha - - -def batch_grad_dual_beta(M, reg, alpha, beta, batch_size, batch_alpha, - batch_beta): - ''' - Computes the partial gradient of F_\W_varepsilon - - Compute the partial gradient of the dual problem: - - ..math: - \forall j in batch_beta, - grad_beta_j = 1 * batch_size - + \forall j in batch_alpha, + grad_beta_j = beta_j * batch_size/len(alpha) - sum_{i in batch_alpha} exp((alpha_i + beta_j - M_{i,j})/reg) - + * a_i * b_j where : - M is the (ns,nt) metric cost matrix - alpha, beta are dual variables in R^ixR^J - reg is the regularization term - - batch_alpha and batch_beta are list of index + - batch_alpha and batch_beta are lists of index + - a and b are source and target weights (sum to 1) + The algorithm used for solving the dual problem is the SGD algorithm as proposed in [19]_ [alg.1] Parameters ---------- - + a : np.ndarray(ns,), + source measure + b : np.ndarray(nt,), + target measure M : np.ndarray(ns, nt), cost matrix reg : float number, @@ -561,7 +488,7 @@ def batch_grad_dual_beta(M, reg, alpha, beta, batch_size, batch_alpha, ------- grad : np.ndarray(ns,) - partial grad F in beta + partial grad F Examples -------- @@ -591,19 +518,22 @@ def batch_grad_dual_beta(M, reg, alpha, beta, batch_size, batch_alpha, [Seguy et al., 2018] : International Conference on Learning Representation (2018), arXiv preprint arxiv:1711.02283. - ''' - grad_beta = np.zeros(batch_size) - grad_beta[:] = batch_size - for i in batch_alpha: - grad_beta -= np.exp((alpha[i] + - beta[batch_beta] - M[i, batch_beta]) / reg) - return grad_beta + G = - (np.exp((alpha[batch_alpha, None] + beta[None, batch_beta] - + M[batch_alpha, :][:, batch_beta]) / reg) * + a[batch_alpha, None] * b[None, batch_beta]) + grad_beta = np.zeros(np.shape(M)[1]) + grad_alpha = np.zeros(np.shape(M)[0]) + grad_beta[batch_beta] = (b[batch_beta] * len(batch_alpha) / np.shape(M)[0] + + G.sum(0)) + grad_alpha[batch_alpha] = (a[batch_alpha] * len(batch_beta) / + np.shape(M)[1] + G.sum(1)) + + return grad_alpha, grad_beta -def sgd_entropic_regularization(M, reg, batch_size, numItermax, lr, - alternate=True): +def sgd_entropic_regularization(a, b, M, reg, batch_size, numItermax, lr): ''' Compute the sgd algorithm to solve the regularized discrete measures optimal transport dual problem @@ -623,7 +553,10 @@ def sgd_entropic_regularization(M, reg, batch_size, numItermax, lr, Parameters ---------- - + a : np.ndarray(ns,), + source measure + b : np.ndarray(nt,), + target measure M : np.ndarray(ns, nt), cost matrix reg : float number, @@ -634,8 +567,6 @@ def sgd_entropic_regularization(M, reg, batch_size, numItermax, lr, number of iteration lr : float number learning rate - alternate : bool, optional - alternating algorithm Returns ------- @@ -662,8 +593,8 @@ def sgd_entropic_regularization(M, reg, batch_size, numItermax, lr, >>> Y_target = rng.randn(n_target, 2) >>> M = ot.dist(X_source, Y_target) >>> sgd_dual_pi, log = stochastic.solve_dual_entropic(a, b, M, reg, - batch_size, - numItermax, lr, log) + batch_size, + numItermax, lr, log) >>> print(log['alpha'], log['beta']) >>> print(sgd_dual_pi) @@ -677,35 +608,17 @@ def sgd_entropic_regularization(M, reg, batch_size, numItermax, lr, n_source = np.shape(M)[0] n_target = np.shape(M)[1] - cur_alpha = np.random.randn(n_source) - cur_beta = np.random.randn(n_target) - if alternate: - for cur_iter in range(numItermax): - k = np.sqrt(cur_iter + 1) - batch_alpha = np.random.choice(n_source, batch_size, replace=False) - batch_beta = np.random.choice(n_target, batch_size, replace=False) - grad_F_alpha = batch_grad_dual_alpha(M, reg, cur_alpha, cur_beta, - batch_size, batch_alpha, - batch_beta) - cur_alpha[batch_alpha] += (lr / k) * grad_F_alpha - grad_F_beta = batch_grad_dual_beta(M, reg, cur_alpha, cur_beta, - batch_size, batch_alpha, - batch_beta) - cur_beta[batch_beta] += (lr / k) * grad_F_beta - - else: - for cur_iter in range(numItermax): - k = np.sqrt(cur_iter + 1) - batch_alpha = np.random.choice(n_source, batch_size, replace=False) - batch_beta = np.random.choice(n_target, batch_size, replace=False) - grad_F_alpha = batch_grad_dual_alpha(M, reg, cur_alpha, cur_beta, - batch_size, batch_alpha, - batch_beta) - grad_F_beta = batch_grad_dual_beta(M, reg, cur_alpha, cur_beta, - batch_size, batch_alpha, - batch_beta) - cur_alpha[batch_alpha] += (lr / k) * grad_F_alpha - cur_beta[batch_beta] += (lr / k) * grad_F_beta + cur_alpha = np.zeros(n_source) + cur_beta = np.zeros(n_target) + for cur_iter in range(numItermax): + k = np.sqrt(cur_iter + 1) + batch_alpha = np.random.choice(n_source, batch_size, replace=False) + batch_beta = np.random.choice(n_target, batch_size, replace=False) + update_alpha, update_beta = batch_grad_dual(a, b, M, reg, cur_alpha, + cur_beta, batch_size, + batch_alpha, batch_beta) + cur_alpha[batch_alpha] += (lr / k) * update_alpha[batch_alpha] + cur_beta[batch_beta] += (lr / k) * update_beta[batch_beta] return cur_alpha, cur_beta @@ -787,7 +700,7 @@ def solve_dual_entropic(a, b, M, reg, batch_size, numItermax=10000, lr=1, arXiv preprint arxiv:1711.02283. ''' - opt_alpha, opt_beta = sgd_entropic_regularization(M, reg, batch_size, + opt_alpha, opt_beta = sgd_entropic_regularization(a, b, M, reg, batch_size, numItermax, lr) pi = (np.exp((opt_alpha[:, None] + opt_beta[None, :] - M[:, :]) / reg) * a[:, None] * b[None, :]) |