From 13472aecf5de9dd36c13734f9028e1f5b1834600 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Fri, 16 Jul 2021 18:19:46 -0700 Subject: [PATCH 01/45] First pass at Fit class (#100) --- gpfit/classes.py | 135 -------------- gpfit/fit.py | 430 +++++++++++++++++++++++++++++++++---------- gpfit/plot_fit.py | 59 ------ gpfit/print_fit.py | 60 ------ gpfit/tests/t_fit.py | 34 ++-- 5 files changed, 351 insertions(+), 367 deletions(-) delete mode 100644 gpfit/classes.py delete mode 100644 gpfit/plot_fit.py delete mode 100644 gpfit/print_fit.py diff --git a/gpfit/classes.py b/gpfit/classes.py deleted file mode 100644 index 8c761ea..0000000 --- a/gpfit/classes.py +++ /dev/null @@ -1,135 +0,0 @@ -""" -Implements the Max Affine, Softmax Affine, and Implicit Softmax Affine function -classes -""" -import numpy as np -from .logsumexp import lse_scaled, lse_implicit - - -def max_affine(x, ba): - """ - Evaluates max affine function at values of x, given a set of - max affine fit parameters. - - Arguments - --------- - x: 2D array [nPoints x nDim] - Independent variable data - - ba: 2D array - max affine fit parameters - [[b1, a11, ... a1k] - [ ...., ] - [bk, ak1, ... akk]] - - Returns - ------- - y: 1D array [nPoints] - Max affine output - dydba: 2D array [nPoints x (nDim + 1)*K] - dydba - """ - npt, dimx = x.shape - K = ba.size // (dimx + 1) - ba = np.reshape(ba, (dimx + 1, K), order="F") # 'F' gives Fortran indexing - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - y, partition = np.dot(X, ba).max(1), np.dot(X, ba).argmax(1) - - dydba = np.zeros((npt, (dimx + 1)*K)) - for k in range(K): - inds = np.equal(partition, k) - indadd = (dimx + 1)*k - ixgrid = np.ix_(inds.nonzero()[0], indadd + np.arange(dimx + 1)) - dydba[ixgrid] = X[inds, :] - - return y, dydba - - -# pylint: disable=too-many-locals -def softmax_affine(x, params): - """ - Evaluates softmax affine function at values of x, given a set of - SMA fit parameters. - - Arguments: - ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] - - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha] - - Returns: - -------- - y: SMA approximation to log transformed data - 1D numpy array [nPoints] - - dydp: Jacobian matrix - """ - - npt, dimx = x.shape - ba = params[0:-1] - softness = params[-1] - alpha = 1/softness - if alpha <= 0: - return np.inf*np.ones((npt, 1)), np.nan - K = np.size(ba) // (dimx + 1) - ba = ba.reshape(dimx + 1, K, order="F") - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - z = np.dot(X, ba) # compute affine functions - y, dydz, dydsoftness = lse_scaled(z, alpha) - - dydsoftness = -dydsoftness*(alpha**2) - nrow, ncol = dydz.shape - repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") - dydba = repmat*np.tile(X, (1, K)) - dydsoftness.shape = (dydsoftness.size, 1) - dydp = np.hstack((dydba, dydsoftness)) - - return y, dydp - - -# pylint: disable=too-many-locals -def implicit_softmax_affine(x, params): - """ - Evaluates implicit softmax affine function at values of x, given a set of - ISMA fit parameters. - - Arguments: - ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] - - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha1, alpha2, ... alphaK] - - Returns: - -------- - y: ISMA approximation to log transformed data - 1D numpy array [nPoints] - - dydp: Jacobian matrix - - """ - - npt, dimx = x.shape - K = params.size // (dimx + 2) - ba = params[0:-K] - alpha = params[-K:] - if any(alpha <= 0): - return np.inf*np.ones((npt, 1)), np.nan - ba = ba.reshape(dimx + 1, K, order="F") # reshape ba to matrix - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - z = np.dot(X, ba) # compute affine functions - y, dydz, dydalpha = lse_implicit(z, alpha) - - nrow, ncol = dydz.shape - repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") - dydba = repmat*np.tile(X, (1, K)) - dydp = np.hstack((dydba, dydalpha)) - - return y, dydp diff --git a/gpfit/fit.py b/gpfit/fit.py index a5b4cae..26bd460 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -1,123 +1,353 @@ -"Implements the all-important 'fit' function." -from numpy import ones, exp, sqrt, mean, square, hstack -from .classes import max_affine, softmax_affine, implicit_softmax_affine +"""Implements the Fit class""" +import numpy as np +import matplotlib.pyplot as plt from .least_squares import levenberg_marquardt from .initialize import get_initial_parameters -from .print_fit import print_isma, print_sma, print_ma -from .constraint_set import FitConstraintSet - -CLASSES = { - "ISMA": implicit_softmax_affine, - "SMA": softmax_affine, - "MA": max_affine, -} +from .logsumexp import lse_scaled, lse_implicit # pylint: disable=too-many-locals +# pylint: disable=too-many-arguments # pylint: disable=too-many-branches # pylint: disable=import-error -def fit(xdata, ydata, K, ftype="ISMA", alpha0=10): - """ - Fit a log-convex function to multivariate data, returning a FitConstraintSet - - Arguments - --------- - xdata: Independent variable data - 2D numpy array [nDim, nPoints] - [[<--------- x1 ------------->] - [<--------- x2 ------------->]] - - ydata: Dependent variable data - 1D numpy array [nPoints,] - [<---------- y ------------->] - - K: Number of terms - - ftype: Function class ["MA", "SMA", "ISMA"] - - alpha0: Initial guess for smoothing parameter alpha - - Returns - ------- - FitConstraintSet - - rms_error: float - Root mean square error between original (not log transformed) - data and function fit. - """ - - if ydata.ndim > 1: - raise ValueError("Dependent data should be a 1D numpy array") - - xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T - d = int(xdata.shape[1]) # Number of dimensions - fitdata = {"ftype": ftype, "K": K, "d": d} - if d == 1: - fitdata["lb0"] = exp(min(xdata.reshape(xdata.size))) - fitdata["ub0"] = exp(max(xdata.reshape(xdata.size))) - else: - for i in range(d): - fitdata["lb%d" % i] = exp(min(xdata.T[i])) - fitdata["ub%d" % i] = exp(max(xdata.T[i])) - - def residual(params): - "A specific residual function." - [yhat, drdp] = CLASSES[ftype](xdata, params) - r = yhat - ydata +# pylint: disable=too-many-instance-attributes +class Fit: + """The base class for GPfit""" + def __init__(self, xdata, ydata, K, alpha0=10, verbosity=1): + """ + Initialize Fit object + + Arguments + --------- + xdata: Independent variable data + 2D numpy array [nDim, nPoints] + [[<--------- x1 ------------->] + [<--------- x2 ------------->]] + + ydata: Dependent variable data + 1D numpy array [nPoints,] + [<---------- y ------------->] + + K: Number of terms + + ftype: Function class ["MA", "SMA", "ISMA"] + + alpha0: Initial guess for smoothing parameter alpha + + Returns + ------- + """ + + if ydata.ndim > 1: + raise ValueError("Dependent data should be a 1D numpy array") + + self.ydata = ydata + self.xdata = xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T + self.d = d = int(xdata.shape[1]) # Number of dimensions + self.K = K + self.fitdata = {"K": K, "d": d, "alpha0": alpha0} + if d == 1: + self.fitdata["lb0"] = np.exp(min(xdata.reshape(xdata.size))) + self.fitdata["ub0"] = np.exp(max(xdata.reshape(xdata.size))) + else: + for i in range(d): + self.fitdata["lb%d" % i] = np.exp(min(xdata.T[i])) + self.fitdata["ub%d" % i] = np.exp(max(xdata.T[i])) + + ba = get_initial_parameters(xdata, ydata.reshape(self.ydata.size, 1), + K).flatten("F") + self.A, self.B, self.alpha, self.params = self.get_parameters(ba, K, d) + + self.error = { + "rms": np.sqrt(np.mean(np.square(self.evaluate(xdata, self.params)[0] - ydata))), + "max": np.sqrt(max(np.square(self.evaluate(xdata, self.params)[0] - ydata))) + # TODO: check max, check .T behaviour of old code + } + + if verbosity >= 1: + self.print_fit() + print(self.error["rms"]) + + def residual(self, params): + """Calculate residual""" + [yhat, drdp] = self.evaluate(self.xdata, params) + r = yhat - self.ydata return r, drdp - ba = get_initial_parameters(xdata, ydata.reshape(ydata.size, 1), - K).flatten("F") - if ftype == "ISMA": - params, _ = levenberg_marquardt(residual, hstack((ba, alpha0*ones(K)))) - elif ftype == "SMA": - params, _ = levenberg_marquardt(residual, hstack((ba, alpha0))) - else: - params, _ = levenberg_marquardt(residual, ba) + def plot_fit(self): + """Plots fit""" + cstrt, _ = fit(np.log(udata), np.log(wdata), K, fitclass) + uu = np.linspace(min(udata), max(udata), 1000) + WW = super().plot_fit_data(cstrt, uu) + stringlist = super().print_fit() + f, ax = plt.subplots() + ax.plot(udata, wdata, "+r") + for ww in WW: + ax.plot(uu, ww) + ax.set_xlabel("u") + ax.legend(["Data"] + stringlist, loc="best") - # A: exponent parameters, B: coefficient parameters - A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] - B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + return f, ax - if ftype == "ISMA": - alpha = 1/params[list(range(-K, 0))] + +class MaxAffine(Fit): + """Max Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + params, _ = levenberg_marquardt(self.residual, ba) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + alpha = 1 + + self.fitdata["a1"] = alpha + for k in range(K): + self.fitdata["c%d" % k] = np.exp(B[k]) + for i in range(d): + self.fitdata["e%d%d" % (k, i)] = A[d*k + i] + return A, B, alpha, params + + def evaluate(self, x, params): + """ + Evaluates max affine function at values of x, given a set of + max affine fit parameters. + + Arguments + --------- + x: 2D array [nPoints x nDim] + Independent variable data + + ba: 2D array + max affine fit parameters + [[b1, a11, ... a1k] + [ ...., ] + [bk, ak1, ... akk]] + + Returns + ------- + y: 1D array [nPoints] + Max affine output + dydba: 2D array [nPoints x (nDim + 1)*K] + dydba + """ + ba = params + npt, dimx = x.shape + K = ba.size // (dimx + 1) + ba = np.reshape(ba, (dimx + 1, K), order="F") # 'F' gives Fortran indexing + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + y, partition = np.dot(X, ba).max(1), np.dot(X, ba).argmax(1) + + dydba = np.zeros((npt, (dimx + 1)*K)) + for k in range(K): + inds = np.equal(partition, k) + indadd = (dimx + 1)*k + ixgrid = np.ix_(inds.nonzero()[0], indadd + np.arange(dimx + 1)) + dydba[ixgrid] = X[inds, :] + + return y, dydba + + def print_fit(self): + """Print fit""" + K, d = self.K, self.d + A, B = self.A, self.B + string_list = [None]*K for k in range(K): - fitdata["c%d" % k] = exp(alpha[k]*B[k]) - fitdata["a%d" % k] = alpha[k] + print_string = "w = {0:.6g}".format(np.exp(B[k])) for i in range(d): - fitdata["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] - print_isma(A, B, alpha, d, K) - elif ftype == "SMA": + print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) + string_list[k] = print_string + print(print_string) + return string_list + + #def plot_fit_data(self): + # """Return data for plotting""" + # (uvarkey,) = cstrt[0].left.varkeys + # A = [c.left.exps[0][uvarkey] for c in cstrt] + # B = np.log([c.left.cs[0] for c in cstrt]) + # WW = [] + # for k in range(K): + # WW += [np.exp(B[k])*uu**A[k]] + # return WW + + +class SoftmaxAffine(Fit): + """Softmax Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + alpha0 = self.fitdata["alpha0"] + params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0))) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] alpha = 1/params[-1] - fitdata["a1"] = alpha + + self.fitdata["a1"] = alpha for k in range(K): - fitdata["c%d" % k] = exp(alpha*B[k]) + self.fitdata["c%d" % k] = np.exp(alpha*B[k]) for i in range(d): - fitdata["e%d%d" % (k, i)] = alpha*A[d*k + i] - print_sma(A, B, alpha, d, K) - elif ftype == "MA": - alpha = 1 - fitdata["a1"] = 1 + self.fitdata["e%d%d" % (k, i)] = alpha*A[d*k + i] + return A, B, alpha, params + + def evaluate(self, x, params): + """ + Evaluates softmax affine function at values of x, given a set of + SMA fit parameters. + + Arguments: + ---------- + x: Independent variable data + 2D numpy array [nPoints x nDimensions] + + params: Fit parameters + 1D numpy array [(nDim + 2)*K,] + [b1, a11, .. a1d, b2, a21, .. a2d, ... + bK, aK1, aK2, .. aKd, alpha] + + Returns: + -------- + y: SMA approximation to log transformed data + 1D numpy array [nPoints] + + dydp: Jacobian matrix + """ + + npt, dimx = x.shape + ba = params[0:-1] + softness = params[-1] + alpha = 1/softness + if alpha <= 0: + return np.inf*np.ones((npt, 1)), np.nan + K = np.size(ba) // (dimx + 1) + ba = ba.reshape(dimx + 1, K, order="F") + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + z = np.dot(X, ba) # compute affine functions + y, dydz, dydsoftness = lse_scaled(z, alpha) + + dydsoftness = -dydsoftness*(alpha**2) + nrow, ncol = dydz.shape + repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") + dydba = repmat*np.tile(X, (1, K)) + dydsoftness.shape = (dydsoftness.size, 1) + dydp = np.hstack((dydba, dydsoftness)) + + return y, dydp + + def print_fit(self): + """Print fit""" + K, d = self.K, self.d + A, B, alpha = self.A, self.B, self.alpha + string_list = [None]*K + print_string = "w**{0:.6g} = ".format(alpha) + for k in range(K): + if k > 0: + print(print_string) + print_string = " + " + print_string += "{0:.6g}".format(np.exp(alpha*B[k])) + for i in range(d): + print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) + string_list[k] = print_string + print(print_string) + return ["".join(string_list)] + + #def plot_fit_data(self): + # """Return data for plotting""" + # (wexps,) = cstrt[0].left.exps + # alpha = list(wexps.values())[0] + # (uvarkey,) = cstrt[0].right.varkeys + # A = [d[uvarkey]/alpha for d in cstrt[0].right.exps] + # B = np.log(cstrt[0].right.cs)/alpha + + # ww = 0 + # for k in range(K): + # ww += np.exp(alpha*B[k])*uu**(alpha*A[k]) + # WW = [ww**(1/alpha)] + # return WW + + +class ImplicitSoftmaxAffine(Fit): + """Implicit Softmax Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + alpha0 = self.fitdata["alpha0"] + params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0*np.ones(K)))) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + alpha = 1/params[list(range(-K, 0))] + for k in range(K): - fitdata["c%d" % k] = exp(B[k]) + self.fitdata["c%d" % k] = np.exp(alpha[k]*B[k]) + self.fitdata["a%d" % k] = alpha[k] for i in range(d): - fitdata["e%d%d" % (k, i)] = A[d*k + i] - print_ma(A, B, d, K) + self.fitdata["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] + return A, B, alpha, params - if min(exp(B*alpha)) < 1e-100: - raise ValueError("Fitted constraint contains too small a value...") - if max(exp(B*alpha)) > 1e100: - raise ValueError("Fitted constraint contains too large a value...") + def evaluate(self, x, params): + """ + Evaluates implicit softmax affine function at values of x, given a set of + ISMA fit parameters. - def evaluate(xdata): - """Evaluate the fit over a range of xdata.""" - xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T - return CLASSES[ftype](xdata, params)[0] + Arguments: + ---------- + x: Independent variable data + 2D numpy array [nPoints x nDimensions] - fitdata["rms_err"] = sqrt(mean(square(evaluate(xdata.T) - ydata))) - fitdata["max_err"] = sqrt(max(square(evaluate(xdata.T) - ydata))) + params: Fit parameters + 1D numpy array [(nDim + 2)*K,] + [b1, a11, .. a1d, b2, a21, .. a2d, ... + bK, aK1, aK2, .. aKd, alpha1, alpha2, ... alphaK] - cs = FitConstraintSet(fitdata) - cs.evaluate = evaluate + Returns: + -------- + y: ISMA approximation to log transformed data + 1D numpy array [nPoints] + + dydp: Jacobian matrix + + """ + + npt, dimx = x.shape + K = self.params.size // (dimx + 2) + ba = self.params[0:-K] + alpha = self.params[-K:] + if any(alpha <= 0): + return np.inf*np.ones((npt, 1)), np.nan + ba = ba.reshape(dimx + 1, K, order="F") # reshape ba to matrix + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + z = np.dot(X, ba) # compute affine functions + y, dydz, dydalpha = lse_implicit(z, alpha) + + nrow, ncol = dydz.shape + repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") + dydba = repmat*np.tile(X, (1, K)) + dydp = np.hstack((dydba, dydalpha)) + + return y, dydp + + def print_fit(self): + """Print fit""" + K, d = self.K, self.d + A, B, alpha = self.A, self.B, self.alpha + string_list = [None]*K + print_string = "1 = " + for k in range(K): + if k > 0: + print(print_string) + print_string = " + " + print_string += "({0:.6g}/w**{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) + for i in range(d): + print_string += " * (u_{0:d})**{1:.6g}".format( + i + 1, alpha[k]*A[d*k + i] + ) + string_list[k] = print_string + print(print_string) - return cs, cs.rms_err + def plot_fit_data(self): + """Return data for plotting""" + raise NotImplementedError diff --git a/gpfit/plot_fit.py b/gpfit/plot_fit.py deleted file mode 100644 index 9c050c7..0000000 --- a/gpfit/plot_fit.py +++ /dev/null @@ -1,59 +0,0 @@ -"Fit plotting" -import numpy as np -import matplotlib.pyplot as plt -from gpfit.fit import fit -from gpfit.print_fit import print_ma, print_sma - - -# pylint: disable=invalid-name -# pylint: disable=too-many-locals -def plot_fit_1d(udata, wdata, K=1, fitclass="SMA", plotspace="log"): - "Finds and plots a fit (MA or SMA) for 1D data" - - cstrt, _ = fit(np.log(udata), np.log(wdata), K, fitclass) - uu = np.linspace(min(udata), max(udata), 1000) - - if fitclass == "MA": - (uvarkey,) = cstrt[0].left.varkeys - A = [c.left.exps[0][uvarkey] for c in cstrt] - B = np.log([c.left.cs[0] for c in cstrt]) - WW = [] - for k in range(K): - WW += [np.exp(B[k])*uu**A[k]] - stringlist = print_ma(A, B, 1, K) - - if fitclass == "SMA": - (wexps,) = cstrt[0].left.exps - alpha = list(wexps.values())[0] - (uvarkey,) = cstrt[0].right.varkeys - A = [d[uvarkey]/alpha for d in cstrt[0].right.exps] - B = np.log(cstrt[0].right.cs)/alpha - - ww = 0 - for k in range(K): - ww += np.exp(alpha*B[k])*uu**(alpha*A[k]) - WW = [ww**(1/alpha)] - - print_str = print_sma(A, B, alpha, 1, K) - stringlist = ["".join(print_str)] - - f, ax = plt.subplots() - if plotspace == "log": - ax.loglog(udata, wdata, "+r") - for ww in WW: - ax.loglog(uu, ww) - elif plotspace == "linear": - ax.plot(udata, wdata, "+r") - for ww in WW: - ax.plot(uu, ww) - ax.set_xlabel("u") - ax.legend(["Data"] + stringlist, loc="best") - - return f, ax - - -if __name__ == "__main__": - N = 51 - U = np.logspace(0, np.log10(3), N) - W = (U**2 + 3)/(U + 1)**2 - plot_fit_1d(U, W, K=2, fitclass="SMA", plotspace="linear") diff --git a/gpfit/print_fit.py b/gpfit/print_fit.py deleted file mode 100644 index a55d656..0000000 --- a/gpfit/print_fit.py +++ /dev/null @@ -1,60 +0,0 @@ -"Implements functions for raw fit printing from params" -from numpy import exp - - -# pylint: disable=invalid-name -def print_isma(A, B, alpha, d, K): - """prints ISMA fit from params""" - - print("ISMA fit from params") - string_list = [None]*K - print_string = "1 = " - for k in range(K): - if k > 0: - print(print_string) - print_string = " + " - print_string += "({0:.6g}/w**{1:.6g})".format(exp(alpha[k]*B[k]), alpha[k]) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format( - i + 1, alpha[k]*A[d*k + i] - ) - string_list[k] = print_string - print(print_string) - - return string_list - - -# pylint: disable=invalid-name -def print_sma(A, B, alpha, d, K): - """prints SMA fit from params""" - - print("SMA fit from params") - string_list = [None]*K - print_string = "w**{0:.6g} = ".format(alpha) - for k in range(K): - if k > 0: - print(print_string) - print_string = " + " - print_string += "{0:.6g}".format(exp(alpha*B[k])) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) - string_list[k] = print_string - print(print_string) - - return string_list - - -# pylint: disable=invalid-name -def print_ma(A, B, d, K): - """prints MA fit from params""" - - print("MA fit from params") - string_list = [None]*K - for k in range(K): - print_string = "w = {0:.6g}".format(exp(B[k])) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) - string_list[k] = print_string - print(print_string) - - return string_list diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 1ab240a..9361735 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -1,29 +1,37 @@ """unit tests for fit module""" import unittest +import numpy as np from numpy import logspace, log10, log, vstack -from gpfit.fit import fit +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine + +SEED = 33404 class TestFit(unittest.TestCase): - """Test fit function""" + """Test fit class""" + np.random.seed(SEED) u = logspace(0, log10(3), 501) w = (u**2 + 3)/(u + 1)**2 x = log(u) y = log(w) K = 3 - def test_rms_error(self): - _, rms_error = fit(self.x, self.y, self.K, "SMA") - self.assertTrue(rms_error < 1e-4) - _, rms_error = fit(self.x, self.y, self.K, "ISMA") - self.assertTrue(rms_error < 1e-5) - _, rms_error = fit(self.x, self.y, self.K, "MA") - self.assertTrue(rms_error < 1e-2) - - def test_incorrect_inputs(self): - with self.assertRaises(ValueError): - fit(self.x, vstack((self.y, self.y)), self.K, "MA") + def test_max_affine(self): + f = MaxAffine(self.x, self.y, self.K) + self.assertTrue(f.error["rms"] < 1e-2) + + def test_softmax_affine(self): + f = SoftmaxAffine(self.x, self.y, self.K) + self.assertTrue(f.error["rms"] < 1e-4) + + def test_implicit_softmax_affine(self): + f = ImplicitSoftmaxAffine(self.x, self.y, self.K) + self.assertTrue(f.error["rms"] < 1e-5) + + #def test_incorrect_inputs(self): + # with self.assertRaises(ValueError): + # fit(self.x, vstack((self.y, self.y)), self.K, "MA") TESTS = [TestFit] From 386225cb4f62f88d0f262fd29988a5db34214832 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 19 Jul 2021 12:46:50 -0700 Subject: [PATCH 02/45] All unit tests run except plot_fit and constraint_set (#100) * Made evaluate() a static method * t_classes --> t_evaluate --- docs/source/examples/hoburgabbeel_ex6_1.py | 14 +++--- .../examples/hoburgabbeel_ex6_1_output.txt | 6 +-- docs/source/examples/hoburgabbeel_ex6_3.py | 14 +++--- .../examples/hoburgabbeel_ex6_3_output.txt | 6 +-- gpfit/fit.py | 16 ++++--- gpfit/tests/run_tests.py | 12 ++--- gpfit/tests/{t_classes.py => t_evaluate.py} | 22 ++++----- gpfit/tests/t_examples.py | 12 ++--- gpfit/tests/t_fit.py | 6 +-- gpfit/tests/t_least_squares.py | 4 +- gpfit/tests/t_print_fit.py | 48 +++++++++++++------ 11 files changed, 91 insertions(+), 69 deletions(-) rename gpfit/tests/{t_classes.py => t_evaluate.py} (78%) diff --git a/docs/source/examples/hoburgabbeel_ex6_1.py b/docs/source/examples/hoburgabbeel_ex6_1.py index 749469d..5481bc4 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1.py +++ b/docs/source/examples/hoburgabbeel_ex6_1.py @@ -1,6 +1,6 @@ "Fits an example function" from numpy import logspace, log, log10, random -from gpfit.fit import fit +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine random.seed(33404) @@ -10,10 +10,10 @@ y = log(w) K = 3 -cMA, errorMA = fit(x, y, K, "MA") -cSMA, errorSMA = fit(x, y, K, "SMA") -cISMA, errorISMA = fit(x, y, K, "ISMA") +fma = MaxAffine(x, y, K) +fsma = SoftmaxAffine(x, y, K) +fisma = ImplicitSoftmaxAffine(x, y, K) -print("MA RMS Error: %.5g" % errorMA) -print("SMA RMS Error: %.5g" % errorSMA) -print("ISMA RMS Error: %.5g" % errorISMA) +print("MA RMS Error: %.5g" % fma.error["rms"]) +print("SMA RMS Error: %.5g" % fsma.error["rms"]) +print("ISMA RMS Error: %.5g" % fisma.error["rms"]) diff --git a/docs/source/examples/hoburgabbeel_ex6_1_output.txt b/docs/source/examples/hoburgabbeel_ex6_1_output.txt index d0bbd7c..8e975aa 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_1_output.txt @@ -1,15 +1,15 @@ -MA fit from params w = 0.807159 * (u_1)**-0.0703921 w = 0.995106 * (u_1)**-0.431386 w = 0.92288 * (u_1)**-0.247099 -SMA fit from params +0.0023555737634863715 w**3.4411 = 0.422736 * (u_1)**-2.14843 + 0.424169 * (u_1)**-2.14784 + 0.15339 * (u_1)**0.584654 -ISMA fit from params +2.3855743159468677e-05 1 = (0.992648/w**0.35353) * (u_1)**-0.204093 + (0.947302/w**0.0920266) * (u_1)**0.017725 + (0.961409/w**0.11673) * (u_1)**-0.011164 +8.075689057347727e-07 MA RMS Error: 0.0023556 SMA RMS Error: 2.3856e-05 ISMA RMS Error: 8.0757e-07 diff --git a/docs/source/examples/hoburgabbeel_ex6_3.py b/docs/source/examples/hoburgabbeel_ex6_3.py index 783cbc8..2ac2cdd 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3.py +++ b/docs/source/examples/hoburgabbeel_ex6_3.py @@ -1,7 +1,7 @@ "Example 6.3 from Hoburg/Abbeel GPfit paper" import numpy as np from numpy.random import seed, random_sample -from gpfit.fit import fit +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine seed(33404) @@ -13,10 +13,10 @@ y = np.log(P) K = 4 -_, errorMA = fit(x, y, K, "MA") -_, errorSMA = fit(x, y, K, "SMA") -_, errorISMA = fit(x, y, K, "ISMA") +fma = MaxAffine(x, y, K) +fsma = SoftmaxAffine(x, y, K) +fisma = ImplicitSoftmaxAffine(x, y, K) -print("MA RMS Error: %.5g" % errorMA) -print("SMA RMS Error: %.5g" % errorSMA) -print("ISMA RMS Error: %.5g" % errorISMA) +print("MA RMS Error: %.5g" % fma.error["rms"]) +print("SMA RMS Error: %.5g" % fsma.error["rms"]) +print("ISMA RMS Error: %.5g" % fisma.error["rms"]) diff --git a/docs/source/examples/hoburgabbeel_ex6_3_output.txt b/docs/source/examples/hoburgabbeel_ex6_3_output.txt index beeeb39..826a6af 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_3_output.txt @@ -1,18 +1,18 @@ -MA fit from params w = 0.0877784 * (u_1)**2.3499 * (u_2)**-1.86683 w = 0.824389 * (u_1)**2.02321 * (u_2)**-0.203195 w = 0.0175649 * (u_1)**2.84017 * (u_2)**-2.78935 w = 0.38541 * (u_1)**2.13119 * (u_2)**-0.826143 -SMA fit from params +0.0073819516227354425 w**2.22467 = 5.42035e-05 * (u_1)**5.24451 * (u_2)**-6.68343 + 3.61239e-08 * (u_1)**9.613 * (u_2)**-9.4893 + 1.07674e-05 * (u_1)**0.538839 * (u_2)**-6.12098 + 1.0777 * (u_1)**4.43371 * (u_2)**0.0978425 -ISMA fit from params +0.0001626098715246457 1 = (0.309986/w**0.309511) * (u_1)**0.6327 * (u_2)**-0.813931 + (0.012176/w**0.67353) * (u_1)**2.61311 * (u_2)**-2.59033 + (0.889774/w**0.242028) * (u_1)**0.485343 * (u_2)**-0.0942005 + (1.00588/w**0.0753052) * (u_1)**0.149934 * (u_2)**0.0116639 +0.00017923470551750996 MA RMS Error: 0.007382 SMA RMS Error: 0.00016261 ISMA RMS Error: 0.00017923 diff --git a/gpfit/fit.py b/gpfit/fit.py index 26bd460..a82e712 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -109,7 +109,8 @@ def get_parameters(self, ba, K, d): self.fitdata["e%d%d" % (k, i)] = A[d*k + i] return A, B, alpha, params - def evaluate(self, x, params): + @staticmethod + def evaluate(x, params): """ Evaluates max affine function at values of x, given a set of max affine fit parameters. @@ -192,7 +193,8 @@ def get_parameters(self, ba, K, d): self.fitdata["e%d%d" % (k, i)] = alpha*A[d*k + i] return A, B, alpha, params - def evaluate(self, x, params): + @staticmethod + def evaluate(x, params): """ Evaluates softmax affine function at values of x, given a set of SMA fit parameters. @@ -288,7 +290,8 @@ def get_parameters(self, ba, K, d): self.fitdata["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] return A, B, alpha, params - def evaluate(self, x, params): + @staticmethod + def evaluate(x, params): """ Evaluates implicit softmax affine function at values of x, given a set of ISMA fit parameters. @@ -313,9 +316,9 @@ def evaluate(self, x, params): """ npt, dimx = x.shape - K = self.params.size // (dimx + 2) - ba = self.params[0:-K] - alpha = self.params[-K:] + K = params.size // (dimx + 2) + ba = params[0:-K] + alpha = params[-K:] if any(alpha <= 0): return np.inf*np.ones((npt, 1)), np.nan ba = ba.reshape(dimx + 1, K, order="F") # reshape ba to matrix @@ -347,6 +350,7 @@ def print_fit(self): ) string_list[k] = print_string print(print_string) + return ["".join(string_list)] def plot_fit_data(self): """Return data for plotting""" diff --git a/gpfit/tests/run_tests.py b/gpfit/tests/run_tests.py index 42b220a..c9b9eca 100644 --- a/gpfit/tests/run_tests.py +++ b/gpfit/tests/run_tests.py @@ -12,14 +12,14 @@ from gpfit.tests import t_initialize TESTS += t_initialize.TESTS -from gpfit.tests import t_classes -TESTS += t_classes.TESTS +from gpfit.tests import t_evaluate +TESTS += t_evaluate.TESTS from gpfit.tests import t_print_fit TESTS += t_print_fit.TESTS -from gpfit.tests import t_plot_fit -TESTS += t_plot_fit.TESTS +#from gpfit.tests import t_plot_fit +#TESTS += t_plot_fit.TESTS from gpfit.tests import t_examples TESTS += t_examples.TESTS @@ -27,8 +27,8 @@ from gpfit.tests import t_fit TESTS += t_fit.TESTS -from gpfit.tests import t_constraint_set -TESTS += t_constraint_set.TESTS +#from gpfit.tests import t_constraint_set +#TESTS += t_constraint_set.TESTS def run(xmloutput=False): diff --git a/gpfit/tests/t_classes.py b/gpfit/tests/t_evaluate.py similarity index 78% rename from gpfit/tests/t_classes.py rename to gpfit/tests/t_evaluate.py index a0e686e..7f4ff93 100644 --- a/gpfit/tests/t_classes.py +++ b/gpfit/tests/t_evaluate.py @@ -1,16 +1,16 @@ -"Test max_affine" +"Test evaluate methods" import unittest from numpy import arange, newaxis -from gpfit.classes import max_affine, softmax_affine, implicit_softmax_affine +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -class t_max_affine(unittest.TestCase): +class TestMaxAffine(unittest.TestCase): "Test max_affine" x = arange(0.0, 16.0)[:, newaxis] ba = arange(1.0, 7.0).reshape(2, 3) - y, dydba = max_affine(x, ba) + y, dydba = MaxAffine.evaluate(x, ba) def test_y_size(self): self.assertEqual(self.y.size, self.x.size) @@ -25,13 +25,13 @@ def test_dydba_ndim(self): self.assertEqual(self.dydba.ndim, 2) -class t_softmax_affine(unittest.TestCase): +class TestSoftmaxAffine(unittest.TestCase): "Tests softmax_affine" x = arange(0.0, 16.0)[:, newaxis] params = arange(1.0, 6.0) - y, dydp = softmax_affine(x, params) + y, dydp = SoftmaxAffine.evaluate(x, params) def test_y_size(self): self.assertEqual(self.y.size, self.x.size) @@ -46,13 +46,13 @@ def test_dydp_ndim(self): self.assertEqual(self.dydp.ndim, 2) -class t_implicit_softmax_affine(unittest.TestCase): +class TestImplicitSoftmaxAffine(unittest.TestCase): "Tests implicit_softmax_affine" x = arange(0.0, 16.0)[:, newaxis] params = arange(1.0, 7.0) - y, dydp = implicit_softmax_affine(x, params) + y, dydp = ImplicitSoftmaxAffine.evaluate(x, params) def test_y_size(self): self.assertEqual(self.y.size, self.x.size) @@ -68,9 +68,9 @@ def test_dydp_ndim(self): TESTS = [ - t_max_affine, - t_softmax_affine, - t_implicit_softmax_affine, + TestMaxAffine, + TestSoftmaxAffine, + TestImplicitSoftmaxAffine, ] if __name__ == "__main__": diff --git a/gpfit/tests/t_examples.py b/gpfit/tests/t_examples.py index cdb269a..7421995 100644 --- a/gpfit/tests/t_examples.py +++ b/gpfit/tests/t_examples.py @@ -30,15 +30,15 @@ def test_dummy_example(self, example): def test_hoburgabbeel_ex6_1(self, example): """test_hoburgabbeel_ex6_1""" - self.assertTrue(example.errorMA < 1e-2) - self.assertTrue(example.errorSMA < 1e-4) - self.assertTrue(example.errorISMA < 1e-5) + self.assertTrue(example.fma.error["rms"] < 1e-2) + self.assertTrue(example.fsma.error["rms"] < 1e-4) + self.assertTrue(example.fisma.error["rms"] < 1e-5) def test_hoburgabbeel_ex6_3(self, example): """test_hoburgabbeel_ex6_3""" - self.assertTrue(example.errorMA < 1e-2) - self.assertTrue(example.errorSMA < 1e-3) - self.assertTrue(example.errorISMA < 1e-3) + self.assertTrue(example.fma.error["rms"] < 1e-2) + self.assertTrue(example.fsma.error["rms"] < 1e-3) + self.assertTrue(example.fisma.error["rms"] < 1e-3) FILE_DIR = os.path.dirname(os.path.realpath(__file__)) diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 9361735..4f37ef6 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -29,9 +29,9 @@ def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-5) - #def test_incorrect_inputs(self): - # with self.assertRaises(ValueError): - # fit(self.x, vstack((self.y, self.y)), self.K, "MA") + def test_incorrect_inputs(self): + with self.assertRaises(ValueError): + f = MaxAffine(self.x, vstack((self.y, self.y)), self.K) TESTS = [TestFit] diff --git a/gpfit/tests/t_least_squares.py b/gpfit/tests/t_least_squares.py index 26c9848..f23dd30 100644 --- a/gpfit/tests/t_least_squares.py +++ b/gpfit/tests/t_least_squares.py @@ -2,12 +2,12 @@ import unittest from numpy import arange, newaxis from gpfit.least_squares import levenberg_marquardt -from gpfit.classes import max_affine +from gpfit.fit import MaxAffine def rfun(params): "A specific residual function." - [yhat, drdp] = max_affine(arange(0.0, 16.0)[:, newaxis], params) + [yhat, drdp] = MaxAffine.evaluate(arange(0.0, 16.0)[:, newaxis], params) r = yhat - arange(0.0, 16.0)[:, newaxis].T[0] return r, drdp diff --git a/gpfit/tests/t_print_fit.py b/gpfit/tests/t_print_fit.py index e8fc36c..d29a703 100644 --- a/gpfit/tests/t_print_fit.py +++ b/gpfit/tests/t_print_fit.py @@ -1,20 +1,28 @@ "unit tests for gpfit.print_fit module" import unittest -from numpy import array -from gpfit.print_fit import print_ma, print_sma, print_isma +import numpy as np +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -A = array([2, 3, 4, 6, 7, 8, 10, 11, 12]) -B = array([1, 5, 9]) -ALPHA = array([1/13, 1/14, 1/15]) +A = np.array([2, 3, 4, 6, 7, 8, 10, 11, 12]) +B = np.array([1, 5, 9]) +ALPHA = np.array([1/13, 1/14, 1/15]) DIM = 3 K = 3 class TestPrintFit(unittest.TestCase): - "Unit tests for print_ma, print_sma, print_isma" + "Unit tests for print functions" + u = np.logspace(0, np.log10(3), 501) + w = (u**2 + 3)/(u + 1)**2 + x = np.log(u) + y = np.log(w) def test_ma(self): - strings = print_ma(A, B, DIM, K) + f = MaxAffine(self.x, self.y, K) + f.A = A + f.B = B + f.d = DIM + strings = f.print_fit() self.assertEqual( strings, [ @@ -25,30 +33,40 @@ def test_ma(self): ) def test_sma(self): - strings = print_sma(A, B, ALPHA[0], DIM, K) + f = SoftmaxAffine(self.x, self.y, K) + f.A = A + f.B = B + f.alpha = ALPHA[0] + f.d = DIM + strings = f.print_fit() self.assertEqual( strings, [ "w**0.0769231 = 1.07996 * (u_1)**0.153846 " - "* (u_2)**0.230769 * (u_3)**0.307692", + "* (u_2)**0.230769 * (u_3)**0.307692" " + 1.46905 * (u_1)**0.461538 * " - "(u_2)**0.538462 * (u_3)**0.615385", + "(u_2)**0.538462 * (u_3)**0.615385" " + 1.99832 * (u_1)**0.769231 * " - "(u_2)**0.846154 * (u_3)**0.923077", + "(u_2)**0.846154 * (u_3)**0.923077" ], ) def test_isma(self): - strings = print_isma(A, B, ALPHA, DIM, K) + f = ImplicitSoftmaxAffine(self.x, self.y, K) + f.A = A + f.B = B + f.alpha = ALPHA + f.d = DIM + strings = f.print_fit() self.assertEqual( strings, [ "1 = (1.07996/w**0.0769231) * (u_1)**0.153846 * " - "(u_2)**0.230769 * (u_3)**0.307692", + "(u_2)**0.230769 * (u_3)**0.307692" " + (1.42924/w**0.0714286) * (u_1)**0.428571 * " - "(u_2)**0.5 * (u_3)**0.571429", + "(u_2)**0.5 * (u_3)**0.571429" " + (1.82212/w**0.0666667) * (u_1)**0.666667 * " - "(u_2)**0.733333 * (u_3)**0.8", + "(u_2)**0.733333 * (u_3)**0.8" ], ) From 244fa3e0db5bd6efd0a0d7b4640001a9fe863b84 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 19 Jul 2021 16:28:11 -0700 Subject: [PATCH 03/45] Working plot_fits method (#100) --- gpfit/fit.py | 46 ++++++++------------------------ gpfit/tests/plots/isma_test.png | Bin 0 -> 29422 bytes gpfit/tests/plots/ma_test.png | Bin 0 -> 25896 bytes gpfit/tests/plots/sma_test.png | Bin 0 -> 27775 bytes gpfit/tests/run_tests.py | 4 +-- gpfit/tests/t_plot_fit.py | 33 ++++++++++++++++++----- 6 files changed, 40 insertions(+), 43 deletions(-) create mode 100644 gpfit/tests/plots/isma_test.png create mode 100644 gpfit/tests/plots/ma_test.png create mode 100644 gpfit/tests/plots/sma_test.png diff --git a/gpfit/fit.py b/gpfit/fit.py index a82e712..d377313 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -76,17 +76,21 @@ def residual(self, params): def plot_fit(self): """Plots fit""" - cstrt, _ = fit(np.log(udata), np.log(wdata), K, fitclass) - uu = np.linspace(min(udata), max(udata), 1000) - WW = super().plot_fit_data(cstrt, uu) - stringlist = super().print_fit() f, ax = plt.subplots() + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) ax.plot(udata, wdata, "+r") - for ww in WW: - ax.plot(uu, ww) + + xx = np.linspace(min(self.xdata), max(self.xdata), 10) + yy, _ = self.evaluate(xx, self.params) + uu = np.exp(xx) + ww = np.exp(yy) + ax.plot(uu, ww) + + stringlist = self.print_fit() ax.set_xlabel("u") + ax.set_ylabel("w") ax.legend(["Data"] + stringlist, loc="best") - return f, ax @@ -162,16 +166,6 @@ def print_fit(self): print(print_string) return string_list - #def plot_fit_data(self): - # """Return data for plotting""" - # (uvarkey,) = cstrt[0].left.varkeys - # A = [c.left.exps[0][uvarkey] for c in cstrt] - # B = np.log([c.left.cs[0] for c in cstrt]) - # WW = [] - # for k in range(K): - # WW += [np.exp(B[k])*uu**A[k]] - # return WW - class SoftmaxAffine(Fit): """Softmax Affine fit class""" @@ -255,20 +249,6 @@ def print_fit(self): print(print_string) return ["".join(string_list)] - #def plot_fit_data(self): - # """Return data for plotting""" - # (wexps,) = cstrt[0].left.exps - # alpha = list(wexps.values())[0] - # (uvarkey,) = cstrt[0].right.varkeys - # A = [d[uvarkey]/alpha for d in cstrt[0].right.exps] - # B = np.log(cstrt[0].right.cs)/alpha - - # ww = 0 - # for k in range(K): - # ww += np.exp(alpha*B[k])*uu**(alpha*A[k]) - # WW = [ww**(1/alpha)] - # return WW - class ImplicitSoftmaxAffine(Fit): """Implicit Softmax Affine fit class""" @@ -351,7 +331,3 @@ def print_fit(self): string_list[k] = print_string print(print_string) return ["".join(string_list)] - - def plot_fit_data(self): - """Return data for plotting""" - raise NotImplementedError diff --git a/gpfit/tests/plots/isma_test.png b/gpfit/tests/plots/isma_test.png new file mode 100644 index 0000000000000000000000000000000000000000..3f43d63de3bd553476e438f298e0873a60aaf368 GIT binary patch literal 29422 zcmeFZWl)w~)CPJ#w1jjcjX|e`5+Wr6DkUHd(hZUl(kY-Kf*?qUGzdsaBPs$SEl4*a 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--git a/gpfit/tests/t_plot_fit.py b/gpfit/tests/t_plot_fit.py index 097a36d..5fd8422 100644 --- a/gpfit/tests/t_plot_fit.py +++ b/gpfit/tests/t_plot_fit.py @@ -1,17 +1,38 @@ -"unit tests for gpfit.print_fit module" +"unit tests for plot fit methods" import unittest import numpy as np -from gpfit.plot_fit import plot_fit_1d +from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine + +SEED = 33404 class TestPlotFit(unittest.TestCase): - "Unit tests for plot_fit_1d" + "Unit tests for plot_fit methods" + + np.random.seed(SEED) N = 51 u = np.logspace(0, np.log10(3), N) w = (u**2 + 3)/(u + 1)**2 - - def test_plot_fit_1d(self): - plot_fit_1d(self.u, self.w, K=2, fitclass='SMA', plotspace="linear") + x = np.log(u) + y = np.log(w) + K = 2 + + def test_max_affine(self): + f = MaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_fit() + fig.savefig("plots/ma_test.png") + + def test_softmax_affine(self): + f = SoftmaxAffine(self.x, self.y, self.K) + f.plot_fit() + fig, _ = f.plot_fit() + fig.savefig("plots/sma_test.png") + + def test_implicit_softmax_affine(self): + f = ImplicitSoftmaxAffine(self.x, self.y, self.K) + f.plot_fit() + fig, _ = f.plot_fit() + fig.savefig("plots/isma_test.png") TESTS = [TestPlotFit] From 74e57afad667163555395b218538c9dffb45bfa1 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 20 Jul 2021 11:49:03 -0700 Subject: [PATCH 04/45] plot_fit_2d (#100) --- gpfit/fit.py | 25 +++++++++++++++++++ gpfit/tests/plots/isma_test_2d.png | Bin 0 -> 82850 bytes gpfit/tests/plots/ma_test.png | Bin 25896 -> 25709 bytes gpfit/tests/plots/ma_test_2d.png | Bin 0 -> 84666 bytes gpfit/tests/plots/sma_test_2d.png | Bin 0 -> 82666 bytes gpfit/tests/t_plot_fit.py | 37 +++++++++++++++++++++++++---- 6 files changed, 58 insertions(+), 4 deletions(-) create mode 100644 gpfit/tests/plots/isma_test_2d.png create mode 100644 gpfit/tests/plots/ma_test_2d.png create mode 100644 gpfit/tests/plots/sma_test_2d.png diff --git a/gpfit/fit.py b/gpfit/fit.py index d377313..eb3fc87 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -1,6 +1,7 @@ """Implements the Fit class""" import numpy as np import matplotlib.pyplot as plt +from matplotlib import cm from .least_squares import levenberg_marquardt from .initialize import get_initial_parameters from .logsumexp import lse_scaled, lse_implicit @@ -93,6 +94,30 @@ def plot_fit(self): ax.legend(["Data"] + stringlist, loc="best") return f, ax + def plot_fit_2d(self, azim=0): + """Plots surface of fit alongside original data""" + fig = plt.figure() + ax = plt.axes(projection='3d') + ax.set_xlabel("u1") + ax.set_ylabel("u2") + ax.set_zlabel("w") + ax.azim = azim + # Plot original data + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) + ax.scatter3D(udata[:, 0], udata[:, 1], wdata, color="r") + # Plot surface of fit + x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) + x2 = np.linspace(min(self.xdata[:, 1]), max(self.xdata[:, 1]), 10) + xx1, xx2 = np.meshgrid(x1, x2) + xx = np.vstack((xx1.flatten(), xx2.flatten())) + yy, _ = self.evaluate(xx.T, self.params) + uu1, uu2 = np.exp(xx1), np.exp(xx2) + ww = np.exp(yy) + ax.plot_surface(uu1, uu2, ww.reshape(uu1.shape), cmap=cm.coolwarm, + alpha=0.8) + return fig, ax + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/plots/isma_test_2d.png b/gpfit/tests/plots/isma_test_2d.png new file mode 100644 index 0000000000000000000000000000000000000000..d14d6cddf0597d7cfb089f441180c02299347456 GIT binary patch literal 82850 zcmeFZxhZK80g;yO78C)=O?P*1nlqR8 z{XFOW{mzH;54<0?BC^+BYtAdiHO82PD=SJrz$C?l!C((w%SfoeV8{V57}5gzeefOb zp_vu%*Gm^kO&3*ra~F3bCo`CWk&Ad@e?;QCud80J5E+kRt}aY?_69QocY<< zZ2$KMSnZuG*w`ZQu)swy9AvbdVK5vc=!NuEq`(q}1cSYn5LNTY*tzj^Fx~XaLKB|X za_)@jP=AH|wpq>HRbzj4r}4DeMTVS{PCGJ`bY$(_vAlyA0d)lV>lz{s##EYRCe!Y> z=Quw{dubRXejSC4c9ff`j-T_S%pvxsy^YF{F&S;@vrp4S9xAFM%g}MWmp4^k_O?@- zxgX~_;I7EJF4VeugYhg+B1f5#5HncJ(dbV@Gb~u_??1aQKBIp6@5_7Q7_a{Qb_7-k 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ImplicitSoftmaxAffine(self.x, self.y, self.K) - f.plot_fit() fig, _ = f.plot_fit() fig.savefig("plots/isma_test.png") -TESTS = [TestPlotFit] +class TestPlotFit2D(unittest.TestCase): + "Unit tests for plot_fit methods" + + np.random.seed(SEED) + Vdd = np.random.random_sample(100) + 1 + Vth = 0.2*np.random.random_sample(100) + 0.2 + P = Vdd**2 + 30*Vdd*np.exp(-(Vth - 0.06*Vdd)/0.039) + u = np.vstack((Vdd, Vth)) + x = np.log(u) + y = np.log(P) + K = 3 + + def test_max_affine(self): + f = MaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_fit_2d(azim=135) + fig.savefig("plots/ma_test_2d.png") + + def test_softmax_affine(self): + f = SoftmaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_fit_2d(azim=135) + fig.savefig("plots/sma_test_2d.png") + + def test_implicit_softmax_affine(self): + f = ImplicitSoftmaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_fit_2d(azim=135) + fig.savefig("plots/isma_test_2d.png") + + +TESTS = [ + TestPlotFit1D, + TestPlotFit2D, +] if __name__ == '__main__': SUITE = unittest.TestSuite() From f5103740886d100e759370f29cf6e461e9cfd39c Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 20 Jul 2021 15:32:57 -0700 Subject: [PATCH 05/45] plot_slices for 2D fits (#100) * Renamed plot_fit (--> plot) and plot_fit_2d (--> plot_surface) --- gpfit/fit.py | 36 ++++++++++- gpfit/tests/plots/isma_test_2d.png | Bin 82850 -> 0 bytes gpfit/tests/plots/isma_test_slices.png | Bin 0 -> 38221 bytes gpfit/tests/plots/isma_test_surface.png | Bin 0 -> 80434 bytes gpfit/tests/plots/ma_test.png | Bin 25709 -> 25726 bytes gpfit/tests/plots/ma_test_slices.png | Bin 0 -> 37945 bytes .../{ma_test_2d.png => ma_test_surface.png} | Bin gpfit/tests/plots/sma_test.png | Bin 27775 -> 28394 bytes gpfit/tests/plots/sma_test_slices.png | Bin 0 -> 38517 bytes .../{sma_test_2d.png => sma_test_surface.png} | Bin gpfit/tests/t_plot_fit.py | 61 +++++++++++++----- 11 files changed, 79 insertions(+), 18 deletions(-) delete mode 100644 gpfit/tests/plots/isma_test_2d.png create mode 100644 gpfit/tests/plots/isma_test_slices.png create mode 100644 gpfit/tests/plots/isma_test_surface.png create mode 100644 gpfit/tests/plots/ma_test_slices.png rename gpfit/tests/plots/{ma_test_2d.png => ma_test_surface.png} (100%) create mode 100644 gpfit/tests/plots/sma_test_slices.png rename gpfit/tests/plots/{sma_test_2d.png => sma_test_surface.png} (100%) diff --git a/gpfit/fit.py b/gpfit/fit.py index eb3fc87..2cbf43c 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -2,6 +2,7 @@ import numpy as np import matplotlib.pyplot as plt from matplotlib import cm +from matplotlib.colors import Normalize from .least_squares import levenberg_marquardt from .initialize import get_initial_parameters from .logsumexp import lse_scaled, lse_implicit @@ -75,8 +76,8 @@ def residual(self, params): r = yhat - self.ydata return r, drdp - def plot_fit(self): - """Plots fit""" + def plot(self): + """Plots fit alongside original data for a 1D fit""" f, ax = plt.subplots() udata = np.exp(self.xdata) wdata = np.exp(self.ydata) @@ -94,7 +95,7 @@ def plot_fit(self): ax.legend(["Data"] + stringlist, loc="best") return f, ax - def plot_fit_2d(self, azim=0): + def plot_surface(self, azim=0): """Plots surface of fit alongside original data""" fig = plt.figure() ax = plt.axes(projection='3d') @@ -118,6 +119,35 @@ def plot_fit_2d(self, azim=0): alpha=0.8) return fig, ax + def plot_slices(self): + """ + Plots slices of fit alongside original data. + + x-axis is first dependent variable, each slice is at a different value + of the second dependent variable. + """ + fig, ax = plt.subplots() + ax.set_xlabel("u1") + ax.set_ylabel("w") + # Plot original data + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) + norm = Normalize(vmin=min(udata[:, 1]), vmax=max(udata[:, 1])) + ax.scatter(udata[:, 0], wdata, c=cm.viridis(norm(udata[:, 1]))) + # Plot slices + x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) + x2slices = np.unique(self.xdata[:, 1]) + for x2slice in x2slices: + x2 = x2slice*np.ones(x1.shape) + xx = np.vstack((x1, x2)) + yy, _ = self.evaluate(xx.T, self.params) + u1, u2slice = np.exp(x1), np.exp(x2slice) + ww = np.exp(yy) + ax.plot(u1, ww, c=cm.viridis(norm(u2slice)), + label="{0:.3g}".format(u2slice)) + ax.legend(title="u2") + return fig, ax + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/plots/isma_test_2d.png b/gpfit/tests/plots/isma_test_2d.png deleted file mode 100644 index d14d6cddf0597d7cfb089f441180c02299347456..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 82850 zcmeFZxhZK80g;yO78C)=O?P*1nlqR8 z{XFOW{mzH;54<0?BC^+BYtAdiHO82PD=SJrz$C?l!C((w%SfoeV8{V57}5gzeefOb zp_vu%*Gm^kO&3*ra~F3bCo`CWk&Ad@e?;QCud80J5E+kRt}aY?_69QocY<< zZ2$KMSnZuG*w`ZQu)swy9AvbdVK5vc=!NuEq`(q}1cSYn5LNTY*tzj^Fx~XaLKB|X za_)@jP=AH|wpq>HRbzj4r}4DeMTVS{PCGJ`bY$(_vAlyA0d)lV>lz{s##EYRCe!Y> z=Quw{dubRXejSC4c9ff`j-T_S%pvxsy^YF{F&S;@vrp4S9xAFM%g}MWmp4^k_O?@- 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It requires installation of `GPkit `_. From 5bf250a0aba18ccfd86059f6eeb2a77c1e876899 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 22 Jul 2021 16:10:18 -0700 Subject: [PATCH 11/45] Prettier documentation, __version__ (#7) Thanks to Akshay for the css --- docs/source/_static/css/custom.css | 68 ++++++++ docs/source/conf.py | 267 ++++------------------------- gpfit/__init__.py | 1 + 3 files changed, 105 insertions(+), 231 deletions(-) create mode 100644 docs/source/_static/css/custom.css diff --git a/docs/source/_static/css/custom.css b/docs/source/_static/css/custom.css new file mode 100644 index 0000000..64a7012 --- /dev/null +++ b/docs/source/_static/css/custom.css @@ -0,0 +1,68 @@ +@import url('https://fonts.googleapis.com/css2?family=Raleway:ital,wght@0,300;0,400;0,600;1,300;1,400;1,600&display=swap'); + +:root { + --sidebarcolor: #102133; + --sidebarfontcolor: #ffffff; + --sidebarhover: #295e97; + + --bodyfontcolor: #333; + --webfont: 'Raleway'; + + --contentwidth: 1000px; +} + +/* Fonts and text */ +h1, h2, h3, h4, h5, h6 { + font-family: var(--webfont), 'Helvetica Neue', Helvetica, Arial, sans-serif; + font-weight: 400; +} + +h2, h3, h4, h5, h6 { + padding-top: 0.25em; + margin-bottom: 0.5em; +} + +h1 { + font-size: 225%; +} + +body { + font-family: var(--webfont), 'Helvetica Neue', Helvetica, Arial, sans-serif; + color: var(--bodyfontcolor); +} + +p { + font-size: 1em; + line-height: 150%; +} + + +/* Sidebar */ +.wy-side-nav-search { + background-color: var(--sidebarcolor); +} + +.wy-nav-side { + background: var(--sidebarcolor); +} + +.wy-menu-vertical header, .wy-menu-vertical p.caption { + color: var(--sidebarfontcolor); +} + +.wy-menu-vertical a { + color: var(--sidebarfontcolor); +} + +.wy-side-nav-search > div.version { + color: var(--sidebarfontcolor); +} + +.wy-menu-vertical a:hover { + background-color: var(--sidebarhover); +} + +/* Main content */ +.wy-nav-content { + max-width: var(--contentwidth); +} diff --git a/docs/source/conf.py b/docs/source/conf.py index b42595c..e7b422e 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -1,267 +1,72 @@ -# -*- coding: utf-8 -*- +# Configuration file for the Sphinx documentation builder. # -# GPfit documentation build configuration file, created by -# sphinx-quickstart on Wed Apr 8 20:01:29 2015. -# -# This file is execfile()d with the current directory set to its -# containing dir. -# -# Note that not all possible configuration values are present in this -# autogenerated file. -# -# All configuration values have a default; values that are commented out -# serve to show the default. +# This file only contains a selection of the most common options. For a full +# list see the documentation: +# https://www.sphinx-doc.org/en/master/usage/configuration.html -import sys -import os +# -- Path setup -------------------------------------------------------------- # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. -sys.path.insert(0, os.path.abspath('../..')) -print(sys.path) +# +# import os +# import sys +# sys.path.insert(0, os.path.abspath('.')) + + +# -- Project information ----------------------------------------------------- + +import gpfit +__version__ = gpfit.__version__ +version = 'v' + '.'.join(__version__.split('.')[:4]) +project = 'GPfit' +copyright = '2021, Convex Engineering Group' -# -- General configuration ------------------------------------------------ -# If your documentation needs a minimal Sphinx version, state it here. -#needs_sphinx = '1.0' +# -- General configuration --------------------------------------------------- # Add any Sphinx extension module names here, as strings. They can be # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom # ones. extensions = [ + 'sphinx_rtd_theme', 'sphinx.ext.autodoc', - 'sphinx.ext.intersphinx', - 'sphinx.ext.mathjax', + 'sphinx.ext.napoleon', + 'sphinx.ext.autosummary', ] -# Add any paths that contain templates here, relative to this directory. -templates_path = ['.templates'] - -# The suffix of source filenames. -source_suffix = '.rst' - -# The encoding of source files. -#source_encoding = 'utf-8-sig' - -# The master toctree document. -master_doc = 'index' - -# General information about the project. -project = 'GPfit' -copyright = '2021, Convex Engineering Group' - -# The version info for the project you're documenting, acts as replacement for -# |version| and |release|, also used in various other places throughout the -# built documents. -# -# The short X.Y version. -version = '0.1' -# The full version, including alpha/beta/rc tags. -release = '0.1' - -# The language for content autogenerated by Sphinx. Refer to documentation -# for a list of supported languages. -#language = None +# The name of the Pygments (syntax highlighting) style to use. +pygments_style = 'autumn' -# There are two options for replacing |today|: either, you set today to some -# non-false value, then it is used: -#today = '' -# Else, today_fmt is used as the format for a strftime call. -#today_fmt = '%B %d, %Y' +# Add any paths that contain templates here, relative to this directory. +templates_path = ['_templates'] # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. +# This pattern also affects html_static_path and html_extra_path. exclude_patterns = [] -# The reST default role (used for this markup: `text`) to use for all -# documents. -#default_role = None - -# If true, '()' will be appended to :func: etc. cross-reference text. -#add_function_parentheses = True - -# If true, the current module name will be prepended to all description -# unit titles (such as .. function::). -#add_module_names = True - -# If true, sectionauthor and moduleauthor directives will be shown in the -# output. They are ignored by default. -#show_authors = False - -# The name of the Pygments (syntax highlighting) style to use. -pygments_style = 'sphinx' - -# A list of ignored prefixes for module index sorting. -#modindex_common_prefix = [] -# If true, keep warnings as "system message" paragraphs in the built documents. -#keep_warnings = False - - -# -- Options for HTML output ---------------------------------------------- +# -- Options for HTML output ------------------------------------------------- # The theme to use for HTML and HTML Help pages. See the documentation for # a list of builtin themes. -html_theme = 'default' - -# Theme options are theme-specific and customize the look and feel of a theme -# further. For a list of options available for each theme, see the -# documentation. -#html_theme_options = {} - -# Add any paths that contain custom themes here, relative to this directory. -#html_theme_path = [] - -# The name for this set of Sphinx documents. If None, it defaults to -# " v documentation". -#html_title = None +# +html_theme = 'sphinx_rtd_theme' -# A shorter title for the navigation bar. Default is the same as html_title. -#html_short_title = None +html_show_sourcelink = False -# The name of an image file (relative to this directory) to place at the top -# of the sidebar. -#html_logo = None +html_show_copyright = True -# The name of an image file (within the static path) to use as favicon of the -# docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 -# pixels large. -#html_favicon = None +display_version = True # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". -html_static_path = ['.static'] - -# Add any extra paths that contain custom files (such as robots.txt or -# .htaccess) here, relative to this directory. These files are copied -# directly to the root of the documentation. -#html_extra_path = [] - -# If not '', a 'Last updated on:' timestamp is inserted at every page bottom, -# using the given strftime format. -#html_last_updated_fmt = '%b %d, %Y' - -# If true, SmartyPants will be used to convert quotes and dashes to -# typographically correct entities. -#html_use_smartypants = True +html_static_path = ['_static'] -# Custom sidebar templates, maps document names to template names. -#html_sidebars = {} - -# Additional templates that should be rendered to pages, maps page names to -# template names. -#html_additional_pages = {} - -# If false, no module index is generated. -#html_domain_indices = True - -# If false, no index is generated. -#html_use_index = True - -# If true, the index is split into individual pages for each letter. -#html_split_index = False - -# If true, links to the reST sources are added to the pages. -#html_show_sourcelink = True - -# If true, "Created using Sphinx" is shown in the HTML footer. Default is True. -#html_show_sphinx = True - -# If true, "(C) Copyright ..." is shown in the HTML footer. Default is True. -#html_show_copyright = True - -# If true, an OpenSearch description file will be output, and all pages will -# contain a tag referring to it. The value of this option must be the -# base URL from which the finished HTML is served. -#html_use_opensearch = '' - -# This is the file name suffix for HTML files (e.g. ".xhtml"). -#html_file_suffix = None - -# Output file base name for HTML help builder. -htmlhelp_basename = 'GPfitdoc' - - -# -- Options for LaTeX output --------------------------------------------- - -latex_elements = { -# The paper size ('letterpaper' or 'a4paper'). -#'papersize': 'letterpaper', - -# The font size ('10pt', '11pt' or '12pt'). -#'pointsize': '10pt', - -# Additional stuff for the LaTeX preamble. -#'preamble': '', -} - -# Grouping the document tree into LaTeX files. List of tuples -# (source start file, target name, title, -# author, documentclass [howto, manual, or own class]). -latex_documents = [ - ('index', 'GPfit.tex', 'GPfit Documentation', - 'MIT Convex Optimization Group', 'manual'), -] - -# The name of an image file (relative to this directory) to place at the top of -# the title page. -#latex_logo = None - -# For "manual" documents, if this is true, then toplevel headings are parts, -# not chapters. -#latex_use_parts = False - -# If true, show page references after internal links. -#latex_show_pagerefs = False - -# If true, show URL addresses after external links. -#latex_show_urls = False - -# Documents to append as an appendix to all manuals. -#latex_appendices = [] - -# If false, no module index is generated. -#latex_domain_indices = True - - -# -- Options for manual page output --------------------------------------- - -# One entry per manual page. List of tuples -# (source start file, name, description, authors, manual section). -man_pages = [ - ('index', 'gpfit', 'GPfit Documentation', - ['MIT Convex Optimization Group'], 1) -] - -# If true, show URL addresses after external links. -#man_show_urls = False - - -# -- Options for Texinfo output ------------------------------------------- - -# Grouping the document tree into Texinfo files. List of tuples -# (source start file, target name, title, author, -# dir menu entry, description, category) -texinfo_documents = [ - ('index', 'GPfit', 'GPfit Documentation', - 'MIT Convex Optimization Group', 'GPfit', 'One line description of project.', - 'Miscellaneous'), +html_css_files = [ + 'css/custom.css', ] -# Documents to append as an appendix to all manuals. -#texinfo_appendices = [] - -# If false, no module index is generated. -#texinfo_domain_indices = True - -# How to display URL addresses: 'footnote', 'no', or 'inline'. -#texinfo_show_urls = 'footnote' - -# If true, do not generate a @detailmenu in the "Top" node's menu. -#texinfo_no_detailmenu = False - - -# Example configuration for intersphinx: refer to the Python standard library. -intersphinx_mapping = {'http://docs.python.org/': None} diff --git a/gpfit/__init__.py b/gpfit/__init__.py index bfbbb39..6d29b44 100644 --- a/gpfit/__init__.py +++ b/gpfit/__init__.py @@ -1 +1,2 @@ "Package for GP-compatible data fitting" +__version__ = "1.0.0" From 80813c5d25bc2cd85093609437243725966c1474 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 26 Jul 2021 12:28:25 -0700 Subject: [PATCH 12/45] Installation instructions in docs (#69) --- docs/source/index.rst | 1 + docs/source/installation.rst | 34 ++++++++++++++++++++++++++++++++++ 2 files changed, 35 insertions(+) create mode 100644 docs/source/installation.rst diff --git a/docs/source/index.rst b/docs/source/index.rst index 95f22c0..066e224 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -11,6 +11,7 @@ Table of Contents .. toctree:: :maxdepth: 2 + installation gpfit101 examples citinggpfit diff --git a/docs/source/installation.rst b/docs/source/installation.rst new file mode 100644 index 0000000..8879c51 --- /dev/null +++ b/docs/source/installation.rst @@ -0,0 +1,34 @@ +.. _installation: + +Installation +************ + +GPfit can be installed using pip: + +.. code:: + + pip install gpfit + +GPfit requires the following packages: + +* `GPkit `_ +* numpy +* scipy +* matplotlib + +GPkit requires the installation of solvers (CVXOPT and/or MOSEK). +CVXOPT is open source and should be installed by default with GPkit. +For MOSEK installation instructions or troubleshooting help for either solver, +take a look at the `GPkit installation docs +`_. + +To test your installation of GPfit, use: + +.. code:: + + python -c "import gpfit.tests; gpfit.tests.run()" + +If you encounter any bugs please email ``gpkit@mit.edu`` +or `raise a GitHub issue +`_. + From 21894b02f27265b72596fd1d56c53ae9aedbdbcc Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 26 Jul 2021 12:38:42 -0700 Subject: [PATCH 13/45] Acknowledgements on docs (#7) --- docs/source/acknowledgements.rst | 9 +++++++++ docs/source/index.rst | 1 + 2 files changed, 10 insertions(+) create mode 100644 docs/source/acknowledgements.rst diff --git a/docs/source/acknowledgements.rst b/docs/source/acknowledgements.rst new file mode 100644 index 0000000..17fe9e0 --- /dev/null +++ b/docs/source/acknowledgements.rst @@ -0,0 +1,9 @@ +Acknowledgements +**************** + +We thank the following people for helping to improve GPfit: + +* Marshall Galbraith for setting up continuous integration +* `Akshay Agrawal`_ for the pretty docs css + +.. _`Akshay Agrawal`: https://www.akshayagrawal.com diff --git a/docs/source/index.rst b/docs/source/index.rst index 066e224..9600025 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -16,3 +16,4 @@ Table of Contents examples citinggpfit glossary.rst + acknowledgements From b7bb643152a01bf4896e3d5cd9cd66101a7a8c7a Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 26 Jul 2021 14:44:14 -0700 Subject: [PATCH 14/45] Docs improvements (#7) * Glossary -> reference * Re-ordering * Delete duplicate gpfit101 --- docs/source/glossary.rst | 16 ---------------- docs/source/gpfit101 | 7 ------- docs/source/index.rst | 11 ++++++----- docs/source/reference.rst | 16 ++++++++++++++++ 4 files changed, 22 insertions(+), 28 deletions(-) delete mode 100644 docs/source/glossary.rst delete mode 100644 docs/source/gpfit101 create mode 100644 docs/source/reference.rst diff --git a/docs/source/glossary.rst b/docs/source/glossary.rst deleted file mode 100644 index 61ca119..0000000 --- a/docs/source/glossary.rst +++ /dev/null @@ -1,16 +0,0 @@ -Glossary -******** - -Functions -========= -.. automodule:: gpfit - :members: - :show-inheritance: - - -fit.py ------- - -.. automodule:: gpfit.fit - :members: - :show-inheritance: \ No newline at end of file diff --git a/docs/source/gpfit101 b/docs/source/gpfit101 deleted file mode 100644 index e1fcb9d..0000000 --- a/docs/source/gpfit101 +++ /dev/null @@ -1,7 +0,0 @@ -GP-Compatible Fitting -************************* - -What is Geometric Programming (GP)? -=================================== - -For an introduction to GP, please take a look at the `GPkit documentation `_. \ No newline at end of file diff --git a/docs/source/index.rst b/docs/source/index.rst index 9600025..8705a01 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -2,18 +2,19 @@ GPfit ===== -GPfit is a Python package for fitting GP-compatible constraints to data. -It requires installation of `GPkit `_. -This `paper `_ describes the approach. +GPfit is a Python package for fitting GP-compatible constraints to data. It +requires installation of `GPkit `_. +This `paper `_ describes +the approach. Table of Contents ================== .. toctree:: :maxdepth: 2 - installation gpfit101 + installation examples + reference citinggpfit - glossary.rst acknowledgements diff --git a/docs/source/reference.rst b/docs/source/reference.rst new file mode 100644 index 0000000..3793f84 --- /dev/null +++ b/docs/source/reference.rst @@ -0,0 +1,16 @@ +Reference +********* + +Fit +=== + +.. automodule:: gpfit.fit + :members: + :show-inheritance: + +Fit Constraint Set +================== + +.. automodule:: gpfit.constraint_set + :members: + :show-inheritance: From 8139ec75ce3e146bbf8b701d8189b7493e0900da Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 26 Jul 2021 19:14:06 -0700 Subject: [PATCH 15/45] Replace fitdata with more meaningful attributes --- gpfit/constraint_set.py | 22 +++++++++++----------- gpfit/fit.py | 33 +++++++++++++++++---------------- gpfit/tests/artifacts/fit.pkl | Bin 2539 -> 2547 bytes 3 files changed, 28 insertions(+), 27 deletions(-) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index e6f06f8..eb1e310 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -14,8 +14,8 @@ class FitConstraintSet(ConstraintSet): Arguments --------- - fitdata : dict - dictionary of fit parameters + Fit : Fit object + Fit being used to generate the constraint set ivar : gpkit Variable, Monomial, or NomialArray independent variable dvars : list of gpkit Variables, Monomials, or NomialArrays @@ -27,11 +27,11 @@ class FitConstraintSet(ConstraintSet): def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): - fitdata = Fit.fitdata + parameters = Fit.parameters if ivar is None: with NamedVariables("fit"): - dvars = VectorVariable(fitdata["d"], "u") + dvars = VectorVariable(Fit.d, "u") ivar = Variable("w") self.dvars = dvars @@ -40,9 +40,9 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): self.max_err = Fit.error["max"] monos = [ - fitdata["c%d" % k]*NomialArray(array(dvars).T**array( - [fitdata["e%d%d" % (k, i)] for i in range(fitdata["d"])] - )).prod(NomialArray(dvars).ndim - 1) for k in range(fitdata["K"]) + parameters["c%d" % k]*NomialArray(array(dvars).T**array( + [parameters["e%d%d" % (k, i)] for i in range(Fit.d)] + )).prod(NomialArray(dvars).ndim - 1) for k in range(Fit.K) ] with NamedVariables(name): @@ -54,17 +54,17 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): if type(Fit).__name__ == "ImplictSoftmaxAffine": # constraint of the form 1 >= c1*u1^exp1*u2^exp2*w^(-alpha) + .... - alpha = array([fitdata["a%d" % k] for k in range(fitdata["K"])]) + alpha = array([parameters["a%d" % k] for k in range(Fit.K)]) lhs, rhs = 1, NomialArray(monos/(ivar/self.mfac)**alpha).sum(0) elif type(Fit).__name__ == "SoftmaxAffine": # constraint of the form w^alpha >= c1*u1^exp1 + c2*u2^exp2 +.... - alpha = fitdata["a1"] + alpha = parameters["a1"] lhs, rhs = (ivar/self.mfac)**alpha, NomialArray(monos).sum(0) elif type(Fit).__name__ == "MaxAffine": # constraint of the form w >= c1*u1^exp1, w >= c2*u2^exp2, .... lhs, rhs = (ivar/self.mfac), NomialArray(monos).T - if fitdata["K"] == 1: + if Fit.K == 1: # when possible, return an equality constraint if hasattr(rhs, "shape"): if rhs.ndim > 1: @@ -84,7 +84,7 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): self.bounds = {} for i, dvar in enumerate(self.dvars): - self.bounds[dvar] = [fitdata["lb%d" % i], fitdata["ub%d" % i]] + self.bounds[dvar] = [Fit.bounds["lb%d" % i], Fit.bounds["ub%d" % i]] ConstraintSet.__init__(self, [self.constraint]) diff --git a/gpfit/fit.py b/gpfit/fit.py index 712b648..dbd4122 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -47,14 +47,15 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): self.xdata = xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T self.d = d = int(xdata.shape[1]) # Number of dimensions self.K = K - self.fitdata = {"K": K, "d": d, "alpha0": alpha0} + self.parameters = {"alpha0": alpha0} + self.bounds = {} if d == 1: - self.fitdata["lb0"] = np.exp(min(xdata.reshape(xdata.size))) - self.fitdata["ub0"] = np.exp(max(xdata.reshape(xdata.size))) + self.bounds["lb0"] = np.exp(min(xdata.reshape(xdata.size))) + self.bounds["ub0"] = np.exp(max(xdata.reshape(xdata.size))) else: for i in range(d): - self.fitdata["lb%d" % i] = np.exp(min(xdata.T[i])) - self.fitdata["ub%d" % i] = np.exp(max(xdata.T[i])) + self.bounds["lb%d" % i] = np.exp(min(xdata.T[i])) + self.bounds["ub%d" % i] = np.exp(max(xdata.T[i])) ba = get_initial_parameters(xdata, ydata.reshape(self.ydata.size, 1), K).flatten("F") @@ -174,11 +175,11 @@ def get_parameters(self, ba, K, d): B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] alpha = 1 - self.fitdata["a1"] = alpha + self.parameters["a1"] = alpha for k in range(K): - self.fitdata["c%d" % k] = np.exp(B[k]) + self.parameters["c%d" % k] = np.exp(B[k]) for i in range(d): - self.fitdata["e%d%d" % (k, i)] = A[d*k + i] + self.parameters["e%d%d" % (k, i)] = A[d*k + i] return A, B, alpha, params @staticmethod @@ -239,7 +240,7 @@ class SoftmaxAffine(Fit): def get_parameters(self, ba, K, d): """Get fit parameters""" - alpha0 = self.fitdata["alpha0"] + alpha0 = self.parameters["alpha0"] params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0))) # A: exponent parameters, B: coefficient parameters @@ -247,11 +248,11 @@ def get_parameters(self, ba, K, d): B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] alpha = 1/params[-1] - self.fitdata["a1"] = alpha + self.parameters["a1"] = alpha for k in range(K): - self.fitdata["c%d" % k] = np.exp(alpha*B[k]) + self.parameters["c%d" % k] = np.exp(alpha*B[k]) for i in range(d): - self.fitdata["e%d%d" % (k, i)] = alpha*A[d*k + i] + self.parameters["e%d%d" % (k, i)] = alpha*A[d*k + i] return A, B, alpha, params @staticmethod @@ -320,7 +321,7 @@ class ImplicitSoftmaxAffine(Fit): def get_parameters(self, ba, K, d): """Get fit parameters""" - alpha0 = self.fitdata["alpha0"] + alpha0 = self.parameters["alpha0"] params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0*np.ones(K)))) # A: exponent parameters, B: coefficient parameters @@ -329,10 +330,10 @@ def get_parameters(self, ba, K, d): alpha = 1/params[list(range(-K, 0))] for k in range(K): - self.fitdata["c%d" % k] = np.exp(alpha[k]*B[k]) - self.fitdata["a%d" % k] = alpha[k] + self.parameters["c%d" % k] = np.exp(alpha[k]*B[k]) + self.parameters["a%d" % k] = alpha[k] for i in range(d): - self.fitdata["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] + self.parameters["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] return A, B, alpha, params @staticmethod diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index 1457dc04d46e81e868e06ba60f7dc6b62d92b1c0..d8d79673e03dc08448839f874130788e397b9d35 100644 GIT binary patch delta 91 zcmaDY{8^Z#fo1B8jV!+GI$Q;bMTxnoC8S4}F pGMJLV*27kuoS2hXG-dLX$!Q!~>^)4$Kw*u^wd~h6PvS^q1ONg49kBoa From ddc63bda1c3f30a077e14ffe533f66be19f20bdd Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 26 Jul 2021 19:36:12 -0700 Subject: [PATCH 16/45] Repair link to paper (#7) --- docs/source/examples.rst | 5 ++--- docs/source/gpfit101.rst | 2 +- docs/source/index.rst | 11 +++++++---- 3 files changed, 10 insertions(+), 8 deletions(-) diff --git a/docs/source/examples.rst b/docs/source/examples.rst index 5870ac9..d798a61 100644 --- a/docs/source/examples.rst +++ b/docs/source/examples.rst @@ -1,9 +1,8 @@ Examples ******** -Both examples come from Section 6 of the paper "`Fitting geometric programming -models to data `_", by -W. Hoburg et. al. +Both examples come from Section 6 of this `paper +`_. Example 1 ========= diff --git a/docs/source/gpfit101.rst b/docs/source/gpfit101.rst index c1370e2..0b5301d 100644 --- a/docs/source/gpfit101.rst +++ b/docs/source/gpfit101.rst @@ -105,4 +105,4 @@ Where can I learn more? To learn more about fitting GP-compatible models to data, take a look at the following resources: - * `Fitting geometric programming models to data `_, by W. Hoburg, P. Kirschen, and P. Abbeel. \ No newline at end of file + * `Fitting geometric programming models to data `_, by W. Hoburg, P. Kirschen, and P. Abbeel. diff --git a/docs/source/index.rst b/docs/source/index.rst index 8705a01..2b145db 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -2,10 +2,13 @@ GPfit ===== -GPfit is a Python package for fitting GP-compatible constraints to data. It -requires installation of `GPkit `_. -This `paper `_ describes -the approach. +GPfit is a Python package for fitting GP-compatible constraints to data. +It is based on the approach described in `Data fitting with +geometric-programming-compatible softmax functions +`_ +by W. Hoburg, P. Kirschen, and P. Abbeel. +GPfit requires installation of `GPkit +`_. Table of Contents ================== From e6e3ae4d5fe19cdceacab47b0ab0049f62616fb4 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 27 Jul 2021 16:15:30 -0700 Subject: [PATCH 17/45] Pretty output when verbosity=1 (#104) And add type attribute to Fit --- docs/source/examples/hoburgabbeel_ex6_1.py | 13 ++----- .../examples/hoburgabbeel_ex6_1_output.txt | 33 ++++++++++++++++-- docs/source/examples/hoburgabbeel_ex6_3.py | 13 ++----- .../examples/hoburgabbeel_ex6_3_output.txt | 33 ++++++++++++++++-- gpfit/constraint_set.py | 6 ++-- gpfit/fit.py | 21 +++++++++-- gpfit/tests/artifacts/fit.pkl | Bin 2547 -> 2556 bytes gpfit/tests/t_fit.py | 24 +++++++++++++ 8 files changed, 112 insertions(+), 31 deletions(-) diff --git a/docs/source/examples/hoburgabbeel_ex6_1.py b/docs/source/examples/hoburgabbeel_ex6_1.py index 1ced910..27d63d4 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1.py +++ b/docs/source/examples/hoburgabbeel_ex6_1.py @@ -10,13 +10,6 @@ y = log(w) K = 3 -fma = MaxAffine(x, y, K) -fsma = SoftmaxAffine(x, y, K) -fisma = ImplicitSoftmaxAffine(x, y, K) - -print(fma) -print(fsma) -print(fisma) -print("MA RMS Error: %.5g" % fma.error["rms"]) -print("SMA RMS Error: %.5g" % fsma.error["rms"]) -print("ISMA RMS Error: %.5g" % fisma.error["rms"]) +fma = MaxAffine(x, y, K, verbosity=1) +fsma = SoftmaxAffine(x, y, K, verbosity=1) +fisma = ImplicitSoftmaxAffine(x, y, K, verbosity=1) diff --git a/docs/source/examples/hoburgabbeel_ex6_1_output.txt b/docs/source/examples/hoburgabbeel_ex6_1_output.txt index 83aaa45..cced109 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_1_output.txt @@ -1,12 +1,39 @@ +Generated MaxAffine fit with 3 terms. + +Fit +--- w = 0.807159 * (u_1)**-0.0703921 w = 0.995106 * (u_1)**-0.431386 w = 0.92288 * (u_1)**-0.247099 + +Error +----- +RMS: 0.24% +Max: 0.56% + +Generated SoftmaxAffine fit with 3 terms. + +Fit +--- w**3.4411 = 0.422736 * (u_1)**-2.14843 + 0.424169 * (u_1)**-2.14784 + 0.15339 * (u_1)**0.584654 + +Error +----- +RMS: 0.0024% +Max: 0.0086% + +Generated ImplicitSoftmaxAffine fit with 3 terms. + +Fit +--- 1 = (0.992648/w**0.35353) * (u_1)**-0.204093 + (0.947302/w**0.0920266) * (u_1)**0.017725 + (0.961409/w**0.11673) * (u_1)**-0.011164 -MA RMS Error: 0.0023556 -SMA RMS Error: 2.3856e-05 -ISMA RMS Error: 8.0757e-07 + +Error +----- +RMS: 8.1e-05% +Max: 0.00035% + diff --git a/docs/source/examples/hoburgabbeel_ex6_3.py b/docs/source/examples/hoburgabbeel_ex6_3.py index d2eac78..92b65b1 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3.py +++ b/docs/source/examples/hoburgabbeel_ex6_3.py @@ -13,13 +13,6 @@ y = np.log(P) K = 4 -fma = MaxAffine(x, y, K) -fsma = SoftmaxAffine(x, y, K) -fisma = ImplicitSoftmaxAffine(x, y, K) - -print(fma) -print(fsma) -print(fisma) -print("MA RMS Error: %.5g" % fma.error["rms"]) -print("SMA RMS Error: %.5g" % fsma.error["rms"]) -print("ISMA RMS Error: %.5g" % fisma.error["rms"]) +fma = MaxAffine(x, y, K, verbosity=1) +fsma = SoftmaxAffine(x, y, K, verbosity=1) +fisma = ImplicitSoftmaxAffine(x, y, K, verbosity=1) diff --git a/docs/source/examples/hoburgabbeel_ex6_3_output.txt b/docs/source/examples/hoburgabbeel_ex6_3_output.txt index bec5321..c19e0d8 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_3_output.txt @@ -1,15 +1,42 @@ +Generated MaxAffine fit with 4 terms. + +Fit +--- w = 0.0877784 * (u_1)**2.3499 * (u_2)**-1.86683 w = 0.824389 * (u_1)**2.02321 * (u_2)**-0.203195 w = 0.0175649 * (u_1)**2.84017 * (u_2)**-2.78935 w = 0.38541 * (u_1)**2.13119 * (u_2)**-0.826143 + +Error +----- +RMS: 0.74% +Max: 3.4% + +Generated SoftmaxAffine fit with 4 terms. + +Fit +--- w**2.22467 = 5.42035e-05 * (u_1)**5.24451 * (u_2)**-6.68343 + 3.61239e-08 * (u_1)**9.613 * (u_2)**-9.4893 + 1.07674e-05 * (u_1)**0.538839 * (u_2)**-6.12098 + 1.0777 * (u_1)**4.43371 * (u_2)**0.0978425 + +Error +----- +RMS: 0.016% +Max: 0.081% + +Generated ImplicitSoftmaxAffine fit with 4 terms. + +Fit +--- 1 = (0.309986/w**0.309511) * (u_1)**0.6327 * (u_2)**-0.813931 + (0.012176/w**0.67353) * (u_1)**2.61311 * (u_2)**-2.59033 + (0.889774/w**0.242028) * (u_1)**0.485343 * (u_2)**-0.0942005 + (1.00588/w**0.0753052) * (u_1)**0.149934 * (u_2)**0.0116639 -MA RMS Error: 0.007382 -SMA RMS Error: 0.00016261 -ISMA RMS Error: 0.00017923 + +Error +----- +RMS: 0.018% +Max: 0.12% + diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index eb1e310..d73a2e9 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -52,15 +52,15 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): elif err_margin == "rms": self.mfac.key.descr["value"] = 1 + self.rms_err - if type(Fit).__name__ == "ImplictSoftmaxAffine": + if Fit.type == "ImplictSoftmaxAffine": # constraint of the form 1 >= c1*u1^exp1*u2^exp2*w^(-alpha) + .... alpha = array([parameters["a%d" % k] for k in range(Fit.K)]) lhs, rhs = 1, NomialArray(monos/(ivar/self.mfac)**alpha).sum(0) - elif type(Fit).__name__ == "SoftmaxAffine": + elif Fit.type == "SoftmaxAffine": # constraint of the form w^alpha >= c1*u1^exp1 + c2*u2^exp2 +.... alpha = parameters["a1"] lhs, rhs = (ivar/self.mfac)**alpha, NomialArray(monos).sum(0) - elif type(Fit).__name__ == "MaxAffine": + elif Fit.type == "MaxAffine": # constraint of the form w >= c1*u1^exp1, w >= c2*u2^exp2, .... lhs, rhs = (ivar/self.mfac), NomialArray(monos).T diff --git a/gpfit/fit.py b/gpfit/fit.py index dbd4122..ad8b530 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -47,6 +47,7 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): self.xdata = xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T self.d = d = int(xdata.shape[1]) # Number of dimensions self.K = K + self.type = type(self).__name__ self.parameters = {"alpha0": alpha0} self.bounds = {} if d == 1: @@ -68,8 +69,7 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): } if verbosity >= 1: - self.print_fit() - print(self.error["rms"]) + self.print_result() def residual(self, params): """Calculate residual""" @@ -162,6 +162,23 @@ def constraint_set(self, **kwargs): """Returns constraint set""" return FitConstraintSet(self, **kwargs) + def print_result(self): + """Prints time, fit, and error""" + + fitstr = self.__repr__() + + printstr = ( + f"Generated {self.type} fit with {self.K} terms.\n\n" + f"Fit\n" + f"---\n" + f"{fitstr}\n\n" + f"Error\n" + f"-----\n" + f"""RMS: {self.error["rms"]*100:.2g}%\n""" + f"""Max: {self.error["max"]*100:.2g}%\n""" + ) + print(printstr) + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index d8d79673e03dc08448839f874130788e397b9d35..cedc745d9b39198900f5b895bac72b0d44096509 100644 GIT binary patch delta 228 zcmew?{70Cjfo1B)jV!+G94sZ31*uaq7$*m?yGUtfh&pqe=CBE<=-+NXrEN;klpf|( z1A{3Unv>VDi%Wu~-VvKRevUEN)pfNU)MdGe6+n5A TlNl5)Wfjai3y~--P0|AZ#UWAt delta 161 zcmew({8^Z#fo1B8jV!+GlcU(388s%)W0#QB$Pjhr;1cqvbe5T9Kc#I-(3BpgWWy;L z8k5hni%WrJYu4R3Ta|DPD$AT|XaJO+#32sRJ1?o9CH3e#nBGJqkX{203849&9I8Mv iAH?3=!QsjX^pl~UxVAfeXu$85yNqPV%kTuu< diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 263207f..05f838b 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -1,6 +1,8 @@ """unit tests for fit module""" import unittest import pickle +import sys +from io import StringIO import numpy as np from numpy import logspace, log10, log, vstack from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine @@ -74,6 +76,28 @@ def test_savetxt(self): " + (0.961596/w**0.116677) * (u_1)**-0.0112199" )) + def test_verbosity_1(self): + captured_output = StringIO() + sys.stdout = captured_output + np.random.seed(SEED) + ImplicitSoftmaxAffine(self.x, self.y, self.K, verbosity=1) + sys.stdout = sys.__stdout__ + expected_output = ( + "Generated ImplicitSoftmaxAffine fit with 3 terms.\n" + "\n" + "Fit\n" + "---\n" + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859\n" + " + (0.992721/w**0.349639) * (u_1)**-0.201861\n" + " + (0.961596/w**0.116677) * (u_1)**-0.0112199\n" + "\n" + "Error\n" + "-----\n" + "RMS: 8.1e-05%\n" + "Max: 0.00035%\n\n" + ) + self.assertEqual(expected_output, captured_output.getvalue()) + TESTS = [TestFit] From a723ef3eb79c474f36bd029881dc1770d435f067 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 27 Jul 2021 17:34:56 -0700 Subject: [PATCH 18/45] Add basic tutorial to docs (#7) * Clean up (and rename) examples code and output files --- docs/source/examples.rst | 24 -------- .../{hoburgabbeel_ex6_1.py => ex1.py} | 12 ++-- ...abbeel_ex6_1_output.txt => ex1_output.txt} | 0 .../{hoburgabbeel_ex6_3.py => ex2.py} | 11 ++-- ...abbeel_ex6_3_output.txt => ex2_output.txt} | 0 docs/source/index.rst | 2 +- docs/source/tutorial.rst | 56 +++++++++++++++++++ gpfit/tests/t_examples.py | 8 +-- 8 files changed, 73 insertions(+), 40 deletions(-) delete mode 100644 docs/source/examples.rst rename docs/source/examples/{hoburgabbeel_ex6_1.py => ex1.py} (61%) rename docs/source/examples/{hoburgabbeel_ex6_1_output.txt => ex1_output.txt} (100%) rename docs/source/examples/{hoburgabbeel_ex6_3.py => ex2.py} (66%) rename docs/source/examples/{hoburgabbeel_ex6_3_output.txt => ex2_output.txt} (100%) create mode 100644 docs/source/tutorial.rst diff --git a/docs/source/examples.rst b/docs/source/examples.rst deleted file mode 100644 index d798a61..0000000 --- a/docs/source/examples.rst +++ /dev/null @@ -1,24 +0,0 @@ -Examples -******** - -Both examples come from Section 6 of this `paper -`_. - -Example 1 -========= -Fit convex portion of :math:`w = \frac{u^2 + 3}{(u+1)^2}` on :math:`1 \leq u \leq 3`. - -.. literalinclude:: examples/hoburgabbeel_ex6_1.py - -Output: - -.. literalinclude:: examples/hoburgabbeel_ex6_1_output.txt - -Example 2 -========= - -.. literalinclude:: examples/hoburgabbeel_ex6_3.py - -Output: - -.. literalinclude:: examples/hoburgabbeel_ex6_3_output.txt diff --git a/docs/source/examples/hoburgabbeel_ex6_1.py b/docs/source/examples/ex1.py similarity index 61% rename from docs/source/examples/hoburgabbeel_ex6_1.py rename to docs/source/examples/ex1.py index 27d63d4..74c13fb 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1.py +++ b/docs/source/examples/ex1.py @@ -1,13 +1,13 @@ -"Fits an example function" -from numpy import logspace, log, log10, random +"""Example 6.1 from Hoburg et al.""" +import numpy as np from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -random.seed(33404) +np.random.seed(33404) -u = logspace(0, log10(3), 101) +u = np.logspace(0, np.log10(3), 101) w = (u**2 + 3)/(u + 1)**2 -x = log(u) -y = log(w) +x = np.log(u) +y = np.log(w) K = 3 fma = MaxAffine(x, y, K, verbosity=1) diff --git a/docs/source/examples/hoburgabbeel_ex6_1_output.txt b/docs/source/examples/ex1_output.txt similarity index 100% rename from docs/source/examples/hoburgabbeel_ex6_1_output.txt rename to docs/source/examples/ex1_output.txt diff --git a/docs/source/examples/hoburgabbeel_ex6_3.py b/docs/source/examples/ex2.py similarity index 66% rename from docs/source/examples/hoburgabbeel_ex6_3.py rename to docs/source/examples/ex2.py index 92b65b1..88f3ec0 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3.py +++ b/docs/source/examples/ex2.py @@ -1,14 +1,15 @@ -"Example 6.3 from Hoburg/Abbeel GPfit paper" +"""Example 6.3 from Hoburg et al.""" import numpy as np -from numpy.random import seed, random_sample from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -seed(33404) +np.random.seed(33404) -Vdd = random_sample(1000) + 1 -Vth = 0.2*random_sample(1000) + 0.2 +Vdd = np.random.random_sample(1000) + 1 +Vth = 0.2*np.random.random_sample(1000) + 0.2 P = Vdd**2 + 30*Vdd*np.exp(-(Vth - 0.06*Vdd)/0.039) + u = np.vstack((Vdd, Vth)) +w = P x = np.log(u) y = np.log(P) K = 4 diff --git a/docs/source/examples/hoburgabbeel_ex6_3_output.txt b/docs/source/examples/ex2_output.txt similarity index 100% rename from docs/source/examples/hoburgabbeel_ex6_3_output.txt rename to docs/source/examples/ex2_output.txt diff --git a/docs/source/index.rst b/docs/source/index.rst index 2b145db..1d939f2 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -17,7 +17,7 @@ Table of Contents gpfit101 installation - examples + tutorial reference citinggpfit acknowledgements diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst new file mode 100644 index 0000000..166412b --- /dev/null +++ b/docs/source/tutorial.rst @@ -0,0 +1,56 @@ +Tutorial +******** + +Given log-transformed data `x` and `y`, we can create a fit with `K` terms with +a single command: + +.. code:: + + f = ImplicitSoftmaxAffine(x, y, K) + +We can then plot it: + +.. code:: + + f, ax = f.plot() # for 1D fits + f, ax = f.plot_slices() # for 2D fits + f, ax = f.plot_surface() # for 2D fits + +and save it: + +.. code:: + + f.savetxt(filename="fit.txt") # saves string of fit to text file + f.save(filename="fit.pkl") # saves fit object to pickle file + +We can even generate a GPkit constraint set: + +.. code:: + + fcs = f.constraint_set() + + +Examples +======== +Both examples come from Section 6 of this `paper +`_. + +Example 1 +--------- + +Fit convex portion of :math:`w = \frac{u^2 + 3}{(u+1)^2}` on :math:`1 \leq u \leq 3`. + +.. literalinclude:: examples/ex1.py + +Output: + +.. literalinclude:: examples/ex1_output.txt + +Example 2 +--------- + +.. literalinclude:: examples/ex2.py + +Output: + +.. literalinclude:: examples/ex2_output.txt diff --git a/gpfit/tests/t_examples.py b/gpfit/tests/t_examples.py index 7421995..2ed50cc 100644 --- a/gpfit/tests/t_examples.py +++ b/gpfit/tests/t_examples.py @@ -28,14 +28,14 @@ def test_dummy_example(self, example): self.assertAlmostEqual(example.sol["cost"], 3.121) """ - def test_hoburgabbeel_ex6_1(self, example): - """test_hoburgabbeel_ex6_1""" + def test_ex1(self, example): + """test_ex1""" self.assertTrue(example.fma.error["rms"] < 1e-2) self.assertTrue(example.fsma.error["rms"] < 1e-4) self.assertTrue(example.fisma.error["rms"] < 1e-5) - def test_hoburgabbeel_ex6_3(self, example): - """test_hoburgabbeel_ex6_3""" + def test_ex2(self, example): + """test_ex2""" self.assertTrue(example.fma.error["rms"] < 1e-2) self.assertTrue(example.fsma.error["rms"] < 1e-3) self.assertTrue(example.fisma.error["rms"] < 1e-3) From 017b323304979e23ff0cb0496cbddeca2d067c19 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 27 Jul 2021 17:58:57 -0700 Subject: [PATCH 19/45] _Fit now a private class (#100) --- gpfit/constraint_set.py | 28 ++++++++++++++-------------- gpfit/fit.py | 8 ++++---- 2 files changed, 18 insertions(+), 18 deletions(-) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index d73a2e9..4c887ef 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -14,7 +14,7 @@ class FitConstraintSet(ConstraintSet): Arguments --------- - Fit : Fit object + fit : Fit object Fit being used to generate the constraint set ivar : gpkit Variable, Monomial, or NomialArray independent variable @@ -25,24 +25,24 @@ class FitConstraintSet(ConstraintSet): """ - def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): + def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): - parameters = Fit.parameters + parameters = fit.parameters if ivar is None: with NamedVariables("fit"): - dvars = VectorVariable(Fit.d, "u") + dvars = VectorVariable(fit.d, "u") ivar = Variable("w") self.dvars = dvars self.ivar = ivar - self.rms_err = Fit.error["rms"] - self.max_err = Fit.error["max"] + self.rms_err = fit.error["rms"] + self.max_err = fit.error["max"] monos = [ parameters["c%d" % k]*NomialArray(array(dvars).T**array( - [parameters["e%d%d" % (k, i)] for i in range(Fit.d)] - )).prod(NomialArray(dvars).ndim - 1) for k in range(Fit.K) + [parameters["e%d%d" % (k, i)] for i in range(fit.d)] + )).prod(NomialArray(dvars).ndim - 1) for k in range(fit.K) ] with NamedVariables(name): @@ -52,19 +52,19 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): elif err_margin == "rms": self.mfac.key.descr["value"] = 1 + self.rms_err - if Fit.type == "ImplictSoftmaxAffine": + if fit.type == "ImplictSoftmaxAffine": # constraint of the form 1 >= c1*u1^exp1*u2^exp2*w^(-alpha) + .... - alpha = array([parameters["a%d" % k] for k in range(Fit.K)]) + alpha = array([parameters["a%d" % k] for k in range(fit.K)]) lhs, rhs = 1, NomialArray(monos/(ivar/self.mfac)**alpha).sum(0) - elif Fit.type == "SoftmaxAffine": + elif fit.type == "SoftmaxAffine": # constraint of the form w^alpha >= c1*u1^exp1 + c2*u2^exp2 +.... alpha = parameters["a1"] lhs, rhs = (ivar/self.mfac)**alpha, NomialArray(monos).sum(0) - elif Fit.type == "MaxAffine": + elif fit.type == "MaxAffine": # constraint of the form w >= c1*u1^exp1, w >= c2*u2^exp2, .... lhs, rhs = (ivar/self.mfac), NomialArray(monos).T - if Fit.K == 1: + if fit.K == 1: # when possible, return an equality constraint if hasattr(rhs, "shape"): if rhs.ndim > 1: @@ -84,7 +84,7 @@ def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): self.bounds = {} for i, dvar in enumerate(self.dvars): - self.bounds[dvar] = [Fit.bounds["lb%d" % i], Fit.bounds["ub%d" % i]] + self.bounds[dvar] = [fit.bounds["lb%d" % i], fit.bounds["ub%d" % i]] ConstraintSet.__init__(self, [self.constraint]) diff --git a/gpfit/fit.py b/gpfit/fit.py index ad8b530..fd787d1 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -15,7 +15,7 @@ # pylint: disable=too-many-branches # pylint: disable=import-error # pylint: disable=too-many-instance-attributes -class Fit: +class _Fit: """The base class for GPfit""" def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): """ @@ -180,7 +180,7 @@ def print_result(self): print(printstr) -class MaxAffine(Fit): +class MaxAffine(_Fit): """Max Affine fit class""" def get_parameters(self, ba, K, d): @@ -252,7 +252,7 @@ def __repr__(self): return "\n".join(string_list) -class SoftmaxAffine(Fit): +class SoftmaxAffine(_Fit): """Softmax Affine fit class""" def get_parameters(self, ba, K, d): @@ -333,7 +333,7 @@ def __repr__(self): return "\n".join(string_list) -class ImplicitSoftmaxAffine(Fit): +class ImplicitSoftmaxAffine(_Fit): """Implicit Softmax Affine fit class""" def get_parameters(self, ba, K, d): From cf97aaf3831927987a9db82ca3643a10ef7de4ea Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 28 Jul 2021 11:18:56 -0700 Subject: [PATCH 20/45] fit convenience function (#100) * Preserves the old API * Updated tutorial accordingly --- docs/source/tutorial.rst | 13 +++++++++++-- gpfit/fit.py | 39 +++++++++++++++++++++++++++++++++++++++ gpfit/tests/t_fit.py | 32 +++++++++++++++++++++++++++++++- 3 files changed, 81 insertions(+), 3 deletions(-) diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst index 166412b..5740954 100644 --- a/docs/source/tutorial.rst +++ b/docs/source/tutorial.rst @@ -6,9 +6,18 @@ a single command: .. code:: - f = ImplicitSoftmaxAffine(x, y, K) + f = fit(x, y, K) -We can then plot it: +The default behaviour generates an implict softmax affine fit. A fit can also +be generated by directly invoking the specific class you want: + +.. code:: + + f = ImplicitSoftmaxAffine(x, y, K) # equivalent to f = fit(..., fit_type="isma") + f = SoftmaxAffine(x, y, K) # equivalent to f = fit(..., fit_type="sma") + f = MaxAffine(x, y, K) # equivalent to f = fit(..., fit_type="ma") + +Once a fit is generated, we can plot it: .. code:: diff --git a/gpfit/fit.py b/gpfit/fit.py index fd787d1..35e48c1 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -10,6 +10,45 @@ from .constraint_set import FitConstraintSet +# pylint: disable=too-many-arguments +def fit(xdata, ydata, K, fit_type="isma", alpha0=10, verbosity=0): + """A convenience function for returning a Fit object. Default behaviour + returns the highest quality of fit (implicit softmax affine) but other + options are max affine and softmax affine. + + Arguments + --------- + xdata: Independent variable data + 2D numpy array [nDim, nPoints] + [[<--------- x1 ------------->] + [<--------- x2 ------------->]] + + ydata: Dependent variable data + 1D numpy array [nPoints,] + [<---------- y ------------->] + + K: Number of terms + + fit_type: Type of fit ("isma", "sma", "ma") + + alpha0: Initial guess for smoothing parameter alpha + + verbosity: Verbosity + + Returns + ------- + Fit object + + """ + + fits = { + "ma": MaxAffine, + "sma": SoftmaxAffine, + "isma": ImplicitSoftmaxAffine, + } + return fits[fit_type](xdata, ydata, K, alpha0=alpha0, verbosity=verbosity) + + # pylint: disable=too-many-locals # pylint: disable=too-many-arguments # pylint: disable=too-many-branches diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 05f838b..37f8550 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -5,7 +5,7 @@ from io import StringIO import numpy as np from numpy import logspace, log10, log, vstack -from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine +from gpfit.fit import fit, MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine SEED = 33404 @@ -50,6 +50,36 @@ def test_implicit_softmax_affine(self): " + (0.961596/w**0.116677) * (u_1)**-0.0112199" )) + def test_fit_ma(self): + np.random.seed(SEED) + f = fit(self.x, self.y, self.K, fit_type="ma") + self.assertTrue(f.error["rms"] < 1e-2) + self.assertEqual(f.__repr__(), ( + "w = 0.807159 * (u_1)**-0.0703921\n" + "w = 0.995106 * (u_1)**-0.431386\n" + "w = 0.92288 * (u_1)**-0.247099" + )) + + def test_fit_sma(self): + np.random.seed(SEED) + f = fit(self.x, self.y, self.K, fit_type="sma") + self.assertTrue(f.error["rms"] < 1e-4) + self.assertEqual(f.__repr__(), ( + "w**3.44109 = 0.15339 * (u_1)**0.584655\n" + " + 0.431128 * (u_1)**-2.14831\n" + " + 0.415776 * (u_1)**-2.14794" + )) + + def test_fit_isma(self): + np.random.seed(SEED) + f = fit(self.x, self.y, self.K) + self.assertTrue(f.error["rms"] < 1e-5) + self.assertEqual(f.__repr__(), ( + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859\n" + " + (0.992721/w**0.349639) * (u_1)**-0.201861\n" + " + (0.961596/w**0.116677) * (u_1)**-0.0112199" + )) + def test_incorrect_inputs(self): with self.assertRaises(ValueError): MaxAffine(self.x, vstack((self.y, self.y)), self.K) From e537f3e8dc6636c10229a6099be35ebc258b95bf Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 28 Jul 2021 12:08:27 -0700 Subject: [PATCH 21/45] File restructure (#100) * maths directory * move fit classes to classes.py --- gpfit/__init__.py | 2 + gpfit/classes.py | 414 ++++++++++++++++++++++++++++ gpfit/fit.py | 416 +---------------------------- gpfit/maths/__init__.py | 1 + gpfit/{ => maths}/initialize.py | 0 gpfit/{ => maths}/least_squares.py | 0 gpfit/{ => maths}/logsumexp.py | 0 gpfit/tests/artifacts/fit.pkl | Bin 2556 -> 2560 bytes gpfit/tests/t_initialize.py | 2 +- gpfit/tests/t_least_squares.py | 2 +- gpfit/tests/t_logsumexp.py | 2 +- 11 files changed, 422 insertions(+), 417 deletions(-) create mode 100644 gpfit/classes.py create mode 100644 gpfit/maths/__init__.py rename gpfit/{ => maths}/initialize.py (100%) rename gpfit/{ => maths}/least_squares.py (100%) rename gpfit/{ => maths}/logsumexp.py (100%) diff --git a/gpfit/__init__.py b/gpfit/__init__.py index 6d29b44..a5e010a 100644 --- a/gpfit/__init__.py +++ b/gpfit/__init__.py @@ -1,2 +1,4 @@ "Package for GP-compatible data fitting" __version__ = "1.0.0" + +from .fit import fit diff --git a/gpfit/classes.py b/gpfit/classes.py new file mode 100644 index 0000000..70a43c3 --- /dev/null +++ b/gpfit/classes.py @@ -0,0 +1,414 @@ +"""The fit classes (both in the python sense and the mathematical sense)""" +import pickle +import numpy as np +import matplotlib.pyplot as plt +from matplotlib import cm +from matplotlib.colors import Normalize +from .maths.least_squares import levenberg_marquardt +from .maths.initialize import get_initial_parameters +from .maths.logsumexp import lse_scaled, lse_implicit +from .constraint_set import FitConstraintSet + + +# pylint: disable=too-many-locals +# pylint: disable=too-many-arguments +# pylint: disable=too-many-branches +# pylint: disable=import-error +# pylint: disable=too-many-instance-attributes +class _Fit: + """The base class for GPfit""" + def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): + """ + Initialize Fit object + + Arguments + --------- + xdata: Independent variable data + 2D numpy array [nDim, nPoints] + [[<--------- x1 ------------->] + [<--------- x2 ------------->]] + + ydata: Dependent variable data + 1D numpy array [nPoints,] + [<---------- y ------------->] + + K: Number of terms + + alpha0: Initial guess for smoothing parameter alpha + + Returns + ------- + """ + + if ydata.ndim > 1: + raise ValueError("Dependent data should be a 1D numpy array") + + self.ydata = ydata + self.xdata = xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T + self.d = d = int(xdata.shape[1]) # Number of dimensions + self.K = K + self.type = type(self).__name__ + self.parameters = {"alpha0": alpha0} + self.bounds = {} + if d == 1: + self.bounds["lb0"] = np.exp(min(xdata.reshape(xdata.size))) + self.bounds["ub0"] = np.exp(max(xdata.reshape(xdata.size))) + else: + for i in range(d): + self.bounds["lb%d" % i] = np.exp(min(xdata.T[i])) + self.bounds["ub%d" % i] = np.exp(max(xdata.T[i])) + + ba = get_initial_parameters(xdata, ydata.reshape(self.ydata.size, 1), + K).flatten("F") + self.A, self.B, self.alpha, self.params = self.get_parameters(ba, K, d) + + self.error = { + "rms": np.sqrt(np.mean(np.square(self.evaluate(xdata, self.params)[0] - ydata))), + "max": np.sqrt(max(np.square(self.evaluate(xdata, self.params)[0] - ydata))) + # TODO: check max, check .T behaviour of old code + } + + if verbosity >= 1: + self.print_result() + + def residual(self, params): + """Calculate residual""" + [yhat, drdp] = self.evaluate(self.xdata, params) + r = yhat - self.ydata + return r, drdp + + def plot(self): + """Plots fit alongside original data for a 1D fit""" + f, ax = plt.subplots() + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) + ax.plot(udata, wdata, "+r") + + xx = np.linspace(min(self.xdata), max(self.xdata), 10) + yy, _ = self.evaluate(xx, self.params) + uu = np.exp(xx) + ww = np.exp(yy) + ax.plot(uu, ww) + + stringlist = self.__repr__() + ax.set_xlabel("u") + ax.set_ylabel("w") + ax.legend(["Data"] + [stringlist], loc="best") + return f, ax + + def plot_surface(self, azim=0): + """Plots surface of fit alongside original data""" + fig = plt.figure() + ax = plt.axes(projection='3d') + ax.set_xlabel("u1") + ax.set_ylabel("u2") + ax.set_zlabel("w") + ax.azim = azim + # Plot original data + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) + ax.scatter3D(udata[:, 0], udata[:, 1], wdata, color="r") + # Plot surface of fit + x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) + x2 = np.linspace(min(self.xdata[:, 1]), max(self.xdata[:, 1]), 10) + xx1, xx2 = np.meshgrid(x1, x2) + xx = np.vstack((xx1.flatten(), xx2.flatten())) + yy, _ = self.evaluate(xx.T, self.params) + uu1, uu2 = np.exp(xx1), np.exp(xx2) + ww = np.exp(yy) + ax.plot_surface(uu1, uu2, ww.reshape(uu1.shape), cmap=cm.coolwarm, + alpha=0.8) + return fig, ax + + def plot_slices(self): + """ + Plots slices of fit alongside original data. + + x-axis is first dependent variable, each slice is at a different value + of the second dependent variable. + """ + fig, ax = plt.subplots() + ax.set_xlabel("u1") + ax.set_ylabel("w") + # Plot original data + udata = np.exp(self.xdata) + wdata = np.exp(self.ydata) + norm = Normalize(vmin=min(udata[:, 1]), vmax=max(udata[:, 1])) + ax.scatter(udata[:, 0], wdata, c=cm.viridis(norm(udata[:, 1]))) + # Plot slices + x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) + x2slices = np.unique(self.xdata[:, 1]) + for x2slice in x2slices: + x2 = x2slice*np.ones(x1.shape) + xx = np.vstack((x1, x2)) + yy, _ = self.evaluate(xx.T, self.params) + u1, u2slice = np.exp(x1), np.exp(x2slice) + ww = np.exp(yy) + ax.plot(u1, ww, c=cm.viridis(norm(u2slice)), + label="{0:.3g}".format(u2slice)) + ax.legend(title="u2") + return fig, ax + + def save(self, filename="fit.pkl"): + """Save Fit object to pickle""" + pickle.dump(self, open(filename, "wb")) + + def savetxt(self, filename="fit.txt"): + """Save Fit object to pickle""" + with open(filename, "w") as f: + f.write(self.__repr__()) + + def constraint_set(self, **kwargs): + """Returns constraint set""" + return FitConstraintSet(self, **kwargs) + + def print_result(self): + """Prints time, fit, and error""" + + fitstr = self.__repr__() + + printstr = ( + f"Generated {self.type} fit with {self.K} terms.\n\n" + f"Fit\n" + f"---\n" + f"{fitstr}\n\n" + f"Error\n" + f"-----\n" + f"""RMS: {self.error["rms"]*100:.2g}%\n""" + f"""Max: {self.error["max"]*100:.2g}%\n""" + ) + print(printstr) + + +class MaxAffine(_Fit): + """Max Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + params, _ = levenberg_marquardt(self.residual, ba) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + alpha = 1 + + self.parameters["a1"] = alpha + for k in range(K): + self.parameters["c%d" % k] = np.exp(B[k]) + for i in range(d): + self.parameters["e%d%d" % (k, i)] = A[d*k + i] + return A, B, alpha, params + + @staticmethod + def evaluate(x, params): + """ + Evaluates max affine function at values of x, given a set of + max affine fit parameters. + + Arguments + --------- + x: 2D array [nPoints x nDim] + Independent variable data + + ba: 2D array + max affine fit parameters + [[b1, a11, ... a1k] + [ ...., ] + [bk, ak1, ... akk]] + + Returns + ------- + y: 1D array [nPoints] + Max affine output + dydba: 2D array [nPoints x (nDim + 1)*K] + dydba + """ + ba = params + npt, dimx = x.shape + K = ba.size // (dimx + 1) + ba = np.reshape(ba, (dimx + 1, K), order="F") # 'F' gives Fortran indexing + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + y, partition = np.dot(X, ba).max(1), np.dot(X, ba).argmax(1) + + dydba = np.zeros((npt, (dimx + 1)*K)) + for k in range(K): + inds = np.equal(partition, k) + indadd = (dimx + 1)*k + ixgrid = np.ix_(inds.nonzero()[0], indadd + np.arange(dimx + 1)) + dydba[ixgrid] = X[inds, :] + + return y, dydba + + def __repr__(self): + """String representation of fit""" + K, d = self.K, self.d + A, B = self.A, self.B + string_list = [None]*K + for k in range(K): + print_string = "w = {0:.6g}".format(np.exp(B[k])) + for i in range(d): + print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) + string_list[k] = print_string + return "\n".join(string_list) + + +class SoftmaxAffine(_Fit): + """Softmax Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + alpha0 = self.parameters["alpha0"] + params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0))) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + alpha = 1/params[-1] + + self.parameters["a1"] = alpha + for k in range(K): + self.parameters["c%d" % k] = np.exp(alpha*B[k]) + for i in range(d): + self.parameters["e%d%d" % (k, i)] = alpha*A[d*k + i] + return A, B, alpha, params + + @staticmethod + def evaluate(x, params): + """ + Evaluates softmax affine function at values of x, given a set of + SMA fit parameters. + + Arguments: + ---------- + x: Independent variable data + 2D numpy array [nPoints x nDimensions] + + params: Fit parameters + 1D numpy array [(nDim + 2)*K,] + [b1, a11, .. a1d, b2, a21, .. a2d, ... + bK, aK1, aK2, .. aKd, alpha] + + Returns: + -------- + y: SMA approximation to log transformed data + 1D numpy array [nPoints] + + dydp: Jacobian matrix + """ + + npt, dimx = x.shape + ba = params[0:-1] + softness = params[-1] + alpha = 1/softness + if alpha <= 0: + return np.inf*np.ones((npt, 1)), np.nan + K = np.size(ba) // (dimx + 1) + ba = ba.reshape(dimx + 1, K, order="F") + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + z = np.dot(X, ba) # compute affine functions + y, dydz, dydsoftness = lse_scaled(z, alpha) + + dydsoftness = -dydsoftness*(alpha**2) + nrow, ncol = dydz.shape + repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") + dydba = repmat*np.tile(X, (1, K)) + dydsoftness.shape = (dydsoftness.size, 1) + dydp = np.hstack((dydba, dydsoftness)) + + return y, dydp + + def __repr__(self): + """String representation of fit""" + K, d = self.K, self.d + A, B, alpha = self.A, self.B, self.alpha + string_list = [None]*K + print_string = "w**{0:.6g} = ".format(alpha) + for k in range(K): + if k > 0: + print_string = " + " + print_string += "{0:.6g}".format(np.exp(alpha*B[k])) + for i in range(d): + print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) + string_list[k] = print_string + return "\n".join(string_list) + + +class ImplicitSoftmaxAffine(_Fit): + """Implicit Softmax Affine fit class""" + + def get_parameters(self, ba, K, d): + """Get fit parameters""" + alpha0 = self.parameters["alpha0"] + params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0*np.ones(K)))) + + # A: exponent parameters, B: coefficient parameters + A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] + B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] + alpha = 1/params[list(range(-K, 0))] + + for k in range(K): + self.parameters["c%d" % k] = np.exp(alpha[k]*B[k]) + self.parameters["a%d" % k] = alpha[k] + for i in range(d): + self.parameters["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] + return A, B, alpha, params + + @staticmethod + def evaluate(x, params): + """ + Evaluates implicit softmax affine function at values of x, given a set of + ISMA fit parameters. + + Arguments: + ---------- + x: Independent variable data + 2D numpy array [nPoints x nDimensions] + + params: Fit parameters + 1D numpy array [(nDim + 2)*K,] + [b1, a11, .. a1d, b2, a21, .. a2d, ... + bK, aK1, aK2, .. aKd, alpha1, alpha2, ... alphaK] + + Returns: + -------- + y: ISMA approximation to log transformed data + 1D numpy array [nPoints] + + dydp: Jacobian matrix + + """ + + npt, dimx = x.shape + K = params.size // (dimx + 2) + ba = params[0:-K] + alpha = params[-K:] + if any(alpha <= 0): + return np.inf*np.ones((npt, 1)), np.nan + ba = ba.reshape(dimx + 1, K, order="F") # reshape ba to matrix + X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones + z = np.dot(X, ba) # compute affine functions + y, dydz, dydalpha = lse_implicit(z, alpha) + + nrow, ncol = dydz.shape + repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") + dydba = repmat*np.tile(X, (1, K)) + dydp = np.hstack((dydba, dydalpha)) + + return y, dydp + + def __repr__(self): + """String representation of fit""" + K, d = self.K, self.d + A, B, alpha = self.A, self.B, self.alpha + string_list = [None]*K + print_string = "1 = " + for k in range(K): + if k > 0: + print_string = " + " + print_string += "({0:.6g}/w**{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) + for i in range(d): + print_string += " * (u_{0:d})**{1:.6g}".format( + i + 1, alpha[k]*A[d*k + i] + ) + string_list[k] = print_string + return "\n".join(string_list) diff --git a/gpfit/fit.py b/gpfit/fit.py index 35e48c1..ba5d53f 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -1,13 +1,5 @@ -"""Implements the Fit class""" -import pickle -import numpy as np -import matplotlib.pyplot as plt -from matplotlib import cm -from matplotlib.colors import Normalize -from .least_squares import levenberg_marquardt -from .initialize import get_initial_parameters -from .logsumexp import lse_scaled, lse_implicit -from .constraint_set import FitConstraintSet +"""Implements the fit function""" +from .classes import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine # pylint: disable=too-many-arguments @@ -47,407 +39,3 @@ def fit(xdata, ydata, K, fit_type="isma", alpha0=10, verbosity=0): "isma": ImplicitSoftmaxAffine, } return fits[fit_type](xdata, ydata, K, alpha0=alpha0, verbosity=verbosity) - - -# pylint: disable=too-many-locals -# pylint: disable=too-many-arguments -# pylint: disable=too-many-branches -# pylint: disable=import-error -# pylint: disable=too-many-instance-attributes -class _Fit: - """The base class for GPfit""" - def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): - """ - Initialize Fit object - - Arguments - --------- - xdata: Independent variable data - 2D numpy array [nDim, nPoints] - [[<--------- x1 ------------->] - [<--------- x2 ------------->]] - - ydata: Dependent variable data - 1D numpy array [nPoints,] - [<---------- y ------------->] - - K: Number of terms - - alpha0: Initial guess for smoothing parameter alpha - - Returns - ------- - """ - - if ydata.ndim > 1: - raise ValueError("Dependent data should be a 1D numpy array") - - self.ydata = ydata - self.xdata = xdata = xdata.reshape(xdata.size, 1) if xdata.ndim == 1 else xdata.T - self.d = d = int(xdata.shape[1]) # Number of dimensions - self.K = K - self.type = type(self).__name__ - self.parameters = {"alpha0": alpha0} - self.bounds = {} - if d == 1: - self.bounds["lb0"] = np.exp(min(xdata.reshape(xdata.size))) - self.bounds["ub0"] = np.exp(max(xdata.reshape(xdata.size))) - else: - for i in range(d): - self.bounds["lb%d" % i] = np.exp(min(xdata.T[i])) - self.bounds["ub%d" % i] = np.exp(max(xdata.T[i])) - - ba = get_initial_parameters(xdata, ydata.reshape(self.ydata.size, 1), - K).flatten("F") - self.A, self.B, self.alpha, self.params = self.get_parameters(ba, K, d) - - self.error = { - "rms": np.sqrt(np.mean(np.square(self.evaluate(xdata, self.params)[0] - ydata))), - "max": np.sqrt(max(np.square(self.evaluate(xdata, self.params)[0] - ydata))) - # TODO: check max, check .T behaviour of old code - } - - if verbosity >= 1: - self.print_result() - - def residual(self, params): - """Calculate residual""" - [yhat, drdp] = self.evaluate(self.xdata, params) - r = yhat - self.ydata - return r, drdp - - def plot(self): - """Plots fit alongside original data for a 1D fit""" - f, ax = plt.subplots() - udata = np.exp(self.xdata) - wdata = np.exp(self.ydata) - ax.plot(udata, wdata, "+r") - - xx = np.linspace(min(self.xdata), max(self.xdata), 10) - yy, _ = self.evaluate(xx, self.params) - uu = np.exp(xx) - ww = np.exp(yy) - ax.plot(uu, ww) - - stringlist = self.__repr__() - ax.set_xlabel("u") - ax.set_ylabel("w") - ax.legend(["Data"] + [stringlist], loc="best") - return f, ax - - def plot_surface(self, azim=0): - """Plots surface of fit alongside original data""" - fig = plt.figure() - ax = plt.axes(projection='3d') - ax.set_xlabel("u1") - ax.set_ylabel("u2") - ax.set_zlabel("w") - ax.azim = azim - # Plot original data - udata = np.exp(self.xdata) - wdata = np.exp(self.ydata) - ax.scatter3D(udata[:, 0], udata[:, 1], wdata, color="r") - # Plot surface of fit - x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) - x2 = np.linspace(min(self.xdata[:, 1]), max(self.xdata[:, 1]), 10) - xx1, xx2 = np.meshgrid(x1, x2) - xx = np.vstack((xx1.flatten(), xx2.flatten())) - yy, _ = self.evaluate(xx.T, self.params) - uu1, uu2 = np.exp(xx1), np.exp(xx2) - ww = np.exp(yy) - ax.plot_surface(uu1, uu2, ww.reshape(uu1.shape), cmap=cm.coolwarm, - alpha=0.8) - return fig, ax - - def plot_slices(self): - """ - Plots slices of fit alongside original data. - - x-axis is first dependent variable, each slice is at a different value - of the second dependent variable. - """ - fig, ax = plt.subplots() - ax.set_xlabel("u1") - ax.set_ylabel("w") - # Plot original data - udata = np.exp(self.xdata) - wdata = np.exp(self.ydata) - norm = Normalize(vmin=min(udata[:, 1]), vmax=max(udata[:, 1])) - ax.scatter(udata[:, 0], wdata, c=cm.viridis(norm(udata[:, 1]))) - # Plot slices - x1 = np.linspace(min(self.xdata[:, 0]), max(self.xdata[:, 0]), 10) - x2slices = np.unique(self.xdata[:, 1]) - for x2slice in x2slices: - x2 = x2slice*np.ones(x1.shape) - xx = np.vstack((x1, x2)) - yy, _ = self.evaluate(xx.T, self.params) - u1, u2slice = np.exp(x1), np.exp(x2slice) - ww = np.exp(yy) - ax.plot(u1, ww, c=cm.viridis(norm(u2slice)), - label="{0:.3g}".format(u2slice)) - ax.legend(title="u2") - return fig, ax - - def save(self, filename="fit.pkl"): - """Save Fit object to pickle""" - pickle.dump(self, open(filename, "wb")) - - def savetxt(self, filename="fit.txt"): - """Save Fit object to pickle""" - with open(filename, "w") as f: - f.write(self.__repr__()) - - def constraint_set(self, **kwargs): - """Returns constraint set""" - return FitConstraintSet(self, **kwargs) - - def print_result(self): - """Prints time, fit, and error""" - - fitstr = self.__repr__() - - printstr = ( - f"Generated {self.type} fit with {self.K} terms.\n\n" - f"Fit\n" - f"---\n" - f"{fitstr}\n\n" - f"Error\n" - f"-----\n" - f"""RMS: {self.error["rms"]*100:.2g}%\n""" - f"""Max: {self.error["max"]*100:.2g}%\n""" - ) - print(printstr) - - -class MaxAffine(_Fit): - """Max Affine fit class""" - - def get_parameters(self, ba, K, d): - """Get fit parameters""" - params, _ = levenberg_marquardt(self.residual, ba) - - # A: exponent parameters, B: coefficient parameters - A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] - B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] - alpha = 1 - - self.parameters["a1"] = alpha - for k in range(K): - self.parameters["c%d" % k] = np.exp(B[k]) - for i in range(d): - self.parameters["e%d%d" % (k, i)] = A[d*k + i] - return A, B, alpha, params - - @staticmethod - def evaluate(x, params): - """ - Evaluates max affine function at values of x, given a set of - max affine fit parameters. - - Arguments - --------- - x: 2D array [nPoints x nDim] - Independent variable data - - ba: 2D array - max affine fit parameters - [[b1, a11, ... a1k] - [ ...., ] - [bk, ak1, ... akk]] - - Returns - ------- - y: 1D array [nPoints] - Max affine output - dydba: 2D array [nPoints x (nDim + 1)*K] - dydba - """ - ba = params - npt, dimx = x.shape - K = ba.size // (dimx + 1) - ba = np.reshape(ba, (dimx + 1, K), order="F") # 'F' gives Fortran indexing - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - y, partition = np.dot(X, ba).max(1), np.dot(X, ba).argmax(1) - - dydba = np.zeros((npt, (dimx + 1)*K)) - for k in range(K): - inds = np.equal(partition, k) - indadd = (dimx + 1)*k - ixgrid = np.ix_(inds.nonzero()[0], indadd + np.arange(dimx + 1)) - dydba[ixgrid] = X[inds, :] - - return y, dydba - - def __repr__(self): - """String representation of fit""" - K, d = self.K, self.d - A, B = self.A, self.B - string_list = [None]*K - for k in range(K): - print_string = "w = {0:.6g}".format(np.exp(B[k])) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) - string_list[k] = print_string - return "\n".join(string_list) - - -class SoftmaxAffine(_Fit): - """Softmax Affine fit class""" - - def get_parameters(self, ba, K, d): - """Get fit parameters""" - alpha0 = self.parameters["alpha0"] - params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0))) - - # A: exponent parameters, B: coefficient parameters - A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] - B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] - alpha = 1/params[-1] - - self.parameters["a1"] = alpha - for k in range(K): - self.parameters["c%d" % k] = np.exp(alpha*B[k]) - for i in range(d): - self.parameters["e%d%d" % (k, i)] = alpha*A[d*k + i] - return A, B, alpha, params - - @staticmethod - def evaluate(x, params): - """ - Evaluates softmax affine function at values of x, given a set of - SMA fit parameters. - - Arguments: - ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] - - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha] - - Returns: - -------- - y: SMA approximation to log transformed data - 1D numpy array [nPoints] - - dydp: Jacobian matrix - """ - - npt, dimx = x.shape - ba = params[0:-1] - softness = params[-1] - alpha = 1/softness - if alpha <= 0: - return np.inf*np.ones((npt, 1)), np.nan - K = np.size(ba) // (dimx + 1) - ba = ba.reshape(dimx + 1, K, order="F") - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - z = np.dot(X, ba) # compute affine functions - y, dydz, dydsoftness = lse_scaled(z, alpha) - - dydsoftness = -dydsoftness*(alpha**2) - nrow, ncol = dydz.shape - repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") - dydba = repmat*np.tile(X, (1, K)) - dydsoftness.shape = (dydsoftness.size, 1) - dydp = np.hstack((dydba, dydsoftness)) - - return y, dydp - - def __repr__(self): - """String representation of fit""" - K, d = self.K, self.d - A, B, alpha = self.A, self.B, self.alpha - string_list = [None]*K - print_string = "w**{0:.6g} = ".format(alpha) - for k in range(K): - if k > 0: - print_string = " + " - print_string += "{0:.6g}".format(np.exp(alpha*B[k])) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) - string_list[k] = print_string - return "\n".join(string_list) - - -class ImplicitSoftmaxAffine(_Fit): - """Implicit Softmax Affine fit class""" - - def get_parameters(self, ba, K, d): - """Get fit parameters""" - alpha0 = self.parameters["alpha0"] - params, _ = levenberg_marquardt(self.residual, np.hstack((ba, alpha0*np.ones(K)))) - - # A: exponent parameters, B: coefficient parameters - A = params[[i for i in range(K*(d + 1)) if i % (d + 1) != 0]] - B = params[[i for i in range(K*(d + 1)) if i % (d + 1) == 0]] - alpha = 1/params[list(range(-K, 0))] - - for k in range(K): - self.parameters["c%d" % k] = np.exp(alpha[k]*B[k]) - self.parameters["a%d" % k] = alpha[k] - for i in range(d): - self.parameters["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] - return A, B, alpha, params - - @staticmethod - def evaluate(x, params): - """ - Evaluates implicit softmax affine function at values of x, given a set of - ISMA fit parameters. - - Arguments: - ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] - - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha1, alpha2, ... alphaK] - - Returns: - -------- - y: ISMA approximation to log transformed data - 1D numpy array [nPoints] - - dydp: Jacobian matrix - - """ - - npt, dimx = x.shape - K = params.size // (dimx + 2) - ba = params[0:-K] - alpha = params[-K:] - if any(alpha <= 0): - return np.inf*np.ones((npt, 1)), np.nan - ba = ba.reshape(dimx + 1, K, order="F") # reshape ba to matrix - X = np.hstack((np.ones((npt, 1)), x)) # augment data with column of ones - z = np.dot(X, ba) # compute affine functions - y, dydz, dydalpha = lse_implicit(z, alpha) - - nrow, ncol = dydz.shape - repmat = np.tile(dydz, (dimx + 1, 1)).reshape(nrow, ncol*(dimx + 1), order="F") - dydba = repmat*np.tile(X, (1, K)) - dydp = np.hstack((dydba, dydalpha)) - - return y, dydp - - def __repr__(self): - """String representation of fit""" - K, d = self.K, self.d - A, B, alpha = self.A, self.B, self.alpha - string_list = [None]*K - print_string = "1 = " - for k in range(K): - if k > 0: - print_string = " + " - print_string += "({0:.6g}/w**{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) - for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format( - i + 1, alpha[k]*A[d*k + i] - ) - string_list[k] = print_string - return "\n".join(string_list) diff --git a/gpfit/maths/__init__.py b/gpfit/maths/__init__.py new file mode 100644 index 0000000..101a2cc --- /dev/null +++ b/gpfit/maths/__init__.py @@ -0,0 +1 @@ +"Modules containing functions that perform the mathematics of gpfit" diff --git a/gpfit/initialize.py b/gpfit/maths/initialize.py similarity index 100% rename from gpfit/initialize.py rename to gpfit/maths/initialize.py diff --git a/gpfit/least_squares.py b/gpfit/maths/least_squares.py similarity index 100% rename from gpfit/least_squares.py rename to gpfit/maths/least_squares.py diff --git a/gpfit/logsumexp.py b/gpfit/maths/logsumexp.py similarity index 100% rename from gpfit/logsumexp.py rename to gpfit/maths/logsumexp.py diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index cedc745d9b39198900f5b895bac72b0d44096509..27ff5276465e1d9b1b77afbddb85db9654817846 100644 GIT binary patch delta 35 ncmew(+#n*=z%unKCj%Jt@TM1}WtQkA=Oh*vrxtG%d&UU>zQhY! delta 31 hcmZn=`6DdWz%unCCj%JtaHbceWtQjx@kXg Date: Wed, 28 Jul 2021 14:00:43 -0700 Subject: [PATCH 22/45] Tighter formatting of repr * Remove whitespace around * * Replace ** with ^ in __repr__ (but keep ** in savetxt) * Align + with = for isma Closes #54 --- docs/source/examples/ex1_output.txt | 18 +++++------ docs/source/examples/ex2_output.txt | 24 +++++++------- gpfit/classes.py | 17 +++++----- gpfit/tests/artifacts/fit.txt | 6 ++-- gpfit/tests/artifacts/isma_test.png | Bin 33206 -> 33011 bytes gpfit/tests/artifacts/ma_test.png | Bin 29563 -> 29346 bytes gpfit/tests/artifacts/sma_test.png | Bin 30034 -> 29674 bytes gpfit/tests/t_fit.py | 48 ++++++++++++++-------------- gpfit/tests/t_print_fit.py | 30 ++++++++--------- 9 files changed, 72 insertions(+), 71 deletions(-) diff --git a/docs/source/examples/ex1_output.txt b/docs/source/examples/ex1_output.txt index cced109..4199bc1 100644 --- a/docs/source/examples/ex1_output.txt +++ b/docs/source/examples/ex1_output.txt @@ -2,9 +2,9 @@ Generated MaxAffine fit with 3 terms. Fit --- -w = 0.807159 * (u_1)**-0.0703921 -w = 0.995106 * (u_1)**-0.431386 -w = 0.92288 * (u_1)**-0.247099 +w = 0.807159*(u_1)^-0.0703921 +w = 0.995106*(u_1)^-0.431386 +w = 0.92288*(u_1)^-0.247099 Error ----- @@ -15,9 +15,9 @@ Generated SoftmaxAffine fit with 3 terms. Fit --- -w**3.4411 = 0.422736 * (u_1)**-2.14843 - + 0.424169 * (u_1)**-2.14784 - + 0.15339 * (u_1)**0.584654 +w^3.4411 = 0.422736*(u_1)^-2.14843 + + 0.424169*(u_1)^-2.14784 + + 0.15339*(u_1)^0.584654 Error ----- @@ -28,9 +28,9 @@ Generated ImplicitSoftmaxAffine fit with 3 terms. Fit --- -1 = (0.992648/w**0.35353) * (u_1)**-0.204093 - + (0.947302/w**0.0920266) * (u_1)**0.017725 - + (0.961409/w**0.11673) * (u_1)**-0.011164 +1 = (0.992648/w^0.35353)*(u_1)^-0.204093 + + (0.947302/w^0.0920266)*(u_1)^0.017725 + + (0.961409/w^0.11673)*(u_1)^-0.011164 Error ----- diff --git a/docs/source/examples/ex2_output.txt b/docs/source/examples/ex2_output.txt index c19e0d8..acdbcd3 100644 --- a/docs/source/examples/ex2_output.txt +++ b/docs/source/examples/ex2_output.txt @@ -2,10 +2,10 @@ Generated MaxAffine fit with 4 terms. Fit --- -w = 0.0877784 * (u_1)**2.3499 * (u_2)**-1.86683 -w = 0.824389 * (u_1)**2.02321 * (u_2)**-0.203195 -w = 0.0175649 * (u_1)**2.84017 * (u_2)**-2.78935 -w = 0.38541 * (u_1)**2.13119 * (u_2)**-0.826143 +w = 0.0877784*(u_1)^2.3499*(u_2)^-1.86683 +w = 0.824389*(u_1)^2.02321*(u_2)^-0.203195 +w = 0.0175649*(u_1)^2.84017*(u_2)^-2.78935 +w = 0.38541*(u_1)^2.13119*(u_2)^-0.826143 Error ----- @@ -16,10 +16,10 @@ Generated SoftmaxAffine fit with 4 terms. Fit --- -w**2.22467 = 5.42035e-05 * (u_1)**5.24451 * (u_2)**-6.68343 - + 3.61239e-08 * (u_1)**9.613 * (u_2)**-9.4893 - + 1.07674e-05 * (u_1)**0.538839 * (u_2)**-6.12098 - + 1.0777 * (u_1)**4.43371 * (u_2)**0.0978425 +w^2.22467 = 5.42035e-05*(u_1)^5.24451*(u_2)^-6.68343 + + 3.61239e-08*(u_1)^9.613*(u_2)^-9.4893 + + 1.07674e-05*(u_1)^0.538839*(u_2)^-6.12098 + + 1.0777*(u_1)^4.43371*(u_2)^0.0978425 Error ----- @@ -30,10 +30,10 @@ Generated ImplicitSoftmaxAffine fit with 4 terms. Fit --- -1 = (0.309986/w**0.309511) * (u_1)**0.6327 * (u_2)**-0.813931 - + (0.012176/w**0.67353) * (u_1)**2.61311 * (u_2)**-2.59033 - + (0.889774/w**0.242028) * (u_1)**0.485343 * (u_2)**-0.0942005 - + (1.00588/w**0.0753052) * (u_1)**0.149934 * (u_2)**0.0116639 +1 = (0.309986/w^0.309511)*(u_1)^0.6327*(u_2)^-0.813931 + + (0.012176/w^0.67353)*(u_1)^2.61311*(u_2)^-2.59033 + + (0.889774/w^0.242028)*(u_1)^0.485343*(u_2)^-0.0942005 + + (1.00588/w^0.0753052)*(u_1)^0.149934*(u_2)^0.0116639 Error ----- diff --git a/gpfit/classes.py b/gpfit/classes.py index 70a43c3..6d0ec9a 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -154,9 +154,10 @@ def save(self, filename="fit.pkl"): pickle.dump(self, open(filename, "wb")) def savetxt(self, filename="fit.txt"): - """Save Fit object to pickle""" + """Save string of fit to text file using python math convention (**)""" + fitstr = self.__repr__().replace("^", "**") with open(filename, "w") as f: - f.write(self.__repr__()) + f.write(fitstr) def constraint_set(self, **kwargs): """Returns constraint set""" @@ -247,7 +248,7 @@ def __repr__(self): for k in range(K): print_string = "w = {0:.6g}".format(np.exp(B[k])) for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) + print_string += "*(u_{0:d})^{1:.6g}".format(i + 1, A[d*k + i]) string_list[k] = print_string return "\n".join(string_list) @@ -322,13 +323,13 @@ def __repr__(self): K, d = self.K, self.d A, B, alpha = self.A, self.B, self.alpha string_list = [None]*K - print_string = "w**{0:.6g} = ".format(alpha) + print_string = "w^{0:.6g} = ".format(alpha) for k in range(K): if k > 0: print_string = " + " print_string += "{0:.6g}".format(np.exp(alpha*B[k])) for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) + print_string += "*(u_{0:d})^{1:.6g}".format(i + 1, alpha*A[d*k + i]) string_list[k] = print_string return "\n".join(string_list) @@ -404,10 +405,10 @@ def __repr__(self): print_string = "1 = " for k in range(K): if k > 0: - print_string = " + " - print_string += "({0:.6g}/w**{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) + print_string = " + " + print_string += "({0:.6g}/w^{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) for i in range(d): - print_string += " * (u_{0:d})**{1:.6g}".format( + print_string += "*(u_{0:d})^{1:.6g}".format( i + 1, alpha[k]*A[d*k + i] ) string_list[k] = print_string diff --git a/gpfit/tests/artifacts/fit.txt b/gpfit/tests/artifacts/fit.txt index d483235..0325edb 100644 --- a/gpfit/tests/artifacts/fit.txt +++ b/gpfit/tests/artifacts/fit.txt @@ -1,3 +1,3 @@ -1 = (0.947385/w**0.0920329) * (u_1)**0.0176859 - + (0.992721/w**0.349639) * (u_1)**-0.201861 - + (0.961596/w**0.116677) * (u_1)**-0.0112199 \ No newline at end of file +1 = (0.947385/w**0.0920329)*(u_1)**0.0176859 + + (0.992721/w**0.349639)*(u_1)**-0.201861 + + (0.961596/w**0.116677)*(u_1)**-0.0112199 \ No newline at end of file diff --git a/gpfit/tests/artifacts/isma_test.png 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z3-V8BL?8_Nzo+Y)z%CpQ10IG^rE4a1Sz6$ekuf&o=jFu!>`@P42g8gR1&m?~X0UC- zkX-cJ2kM_dnQbSd+e`<;ZypY`?jS`WtYI^iWCca;wA$DUfXI;t7HghvT>go40B8ps z2drQV(6Y|dxq!U5Aif*$f6wT`SyZ!D|IEZuKDrN62n}5WtM+O3w+}kuwSqeU{4RZf zh8ftT|116$LVFI_Y2d`^0F{CaSSi0}#J~~9{+B}~uvMB#f(8^|C&mEMQ5$*?ARHT* zmP8;Ob@e5~iH)MoN1*>X^ygrq5f208E2hBfOOHU0vC|73zh^{M*t#IxZ@^+*&u{yX z*i-t-2ag)!RQkyuA{JkvrZZ>@271^3fn=8^sbDN_)eZQql&05BQkf^e9q#ylYq z!lT-`kVb{@*WZl`!8!*2DlP^Z9{ijf+&KT!9}Bg1cT>Q|c+d#!*GQis2fkzItObZb zAs^WAZ$2Q)8d_vi_{IV))oBYv7Az>I)49<~@CimXtJ%M)rO3AO>Pu zK;tKX9vQ9RrbXBX2vJQpUw_mJenAkLL7v0pXh7$d-?UF=F%+C5w*fZx5w<0-V=;0& vrDX7bq8W5VN}>O8pYs3M#{9=0?*x)=bo($h#AHK%Q`E%^mod+kEkphbmUd Date: Wed, 28 Jul 2021 20:25:08 -0700 Subject: [PATCH 23/45] Error data corrected and clarified (#108) --- docs/source/examples/ex1_output.txt | 2 +- docs/source/examples/ex2_output.txt | 2 +- gpfit/classes.py | 15 ++++++++++----- gpfit/constraint_set.py | 4 ++-- gpfit/tests/artifacts/fit.pkl | Bin 2560 -> 2626 bytes gpfit/tests/t_examples.py | 12 ++++++------ gpfit/tests/t_fit.py | 22 +++++++++++++++------- 7 files changed, 35 insertions(+), 22 deletions(-) diff --git a/docs/source/examples/ex1_output.txt b/docs/source/examples/ex1_output.txt index 4199bc1..ee38f79 100644 --- a/docs/source/examples/ex1_output.txt +++ b/docs/source/examples/ex1_output.txt @@ -9,7 +9,7 @@ w = 0.92288*(u_1)^-0.247099 Error ----- RMS: 0.24% -Max: 0.56% +Max: 0.55% Generated SoftmaxAffine fit with 3 terms. diff --git a/docs/source/examples/ex2_output.txt b/docs/source/examples/ex2_output.txt index acdbcd3..7ff068c 100644 --- a/docs/source/examples/ex2_output.txt +++ b/docs/source/examples/ex2_output.txt @@ -10,7 +10,7 @@ w = 0.38541*(u_1)^2.13119*(u_2)^-0.826143 Error ----- RMS: 0.74% -Max: 3.4% +Max: 3.3% Generated SoftmaxAffine fit with 4 terms. diff --git a/gpfit/classes.py b/gpfit/classes.py index 6d0ec9a..dba8822 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -62,10 +62,15 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): K).flatten("F") self.A, self.B, self.alpha, self.params = self.get_parameters(ba, K, d) + yhat = self.evaluate(xdata, self.params)[0] + what = np.exp(yhat) + wdata = np.exp(self.ydata) + werror = what - wdata self.error = { - "rms": np.sqrt(np.mean(np.square(self.evaluate(xdata, self.params)[0] - ydata))), - "max": np.sqrt(max(np.square(self.evaluate(xdata, self.params)[0] - ydata))) - # TODO: check max, check .T behaviour of old code + "rms_abs": np.sqrt(np.mean(np.square(werror))), + "rms_rel": np.sqrt(np.mean(np.square(werror/wdata))), + "max_abs": np.sqrt(max(np.square(werror))), + "max_rel": np.sqrt(max(np.square(werror/wdata))), } if verbosity >= 1: @@ -175,8 +180,8 @@ def print_result(self): f"{fitstr}\n\n" f"Error\n" f"-----\n" - f"""RMS: {self.error["rms"]*100:.2g}%\n""" - f"""Max: {self.error["max"]*100:.2g}%\n""" + f"""RMS: {self.error["rms_rel"]*100:.2g}%\n""" + f"""Max: {self.error["max_rel"]*100:.2g}%\n""" ) print(printstr) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index 4c887ef..2e90d28 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -36,8 +36,8 @@ def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): self.dvars = dvars self.ivar = ivar - self.rms_err = fit.error["rms"] - self.max_err = fit.error["max"] + self.rms_err = fit.error["rms_rel"] + self.max_err = fit.error["max_rel"] monos = [ parameters["c%d" % k]*NomialArray(array(dvars).T**array( diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index 27ff5276465e1d9b1b77afbddb85db9654817846..34c4313228d6011da1d0725599f5e6246d9b6a14 100644 GIT binary patch delta 134 zcmZn=IV8f`z%tdGYa{D1&T{sm+~WAeq~a+Vni-k(jdaxz%unK=SJ3JoTki0xy4g5G&4kzs04$; PrL2NkXCV@$rAc}KTuB+^ diff --git a/gpfit/tests/t_examples.py b/gpfit/tests/t_examples.py index 2ed50cc..f5c5f40 100644 --- a/gpfit/tests/t_examples.py +++ b/gpfit/tests/t_examples.py @@ -30,15 +30,15 @@ def test_dummy_example(self, example): def test_ex1(self, example): """test_ex1""" - self.assertTrue(example.fma.error["rms"] < 1e-2) - self.assertTrue(example.fsma.error["rms"] < 1e-4) - self.assertTrue(example.fisma.error["rms"] < 1e-5) + self.assertTrue(example.fma.error["rms_rel"] < 1e-2) + self.assertTrue(example.fsma.error["rms_rel"] < 1e-4) + self.assertTrue(example.fisma.error["rms_rel"] < 1e-5) def test_ex2(self, example): """test_ex2""" - self.assertTrue(example.fma.error["rms"] < 1e-2) - self.assertTrue(example.fsma.error["rms"] < 1e-3) - self.assertTrue(example.fisma.error["rms"] < 1e-3) + self.assertTrue(example.fma.error["rms_rel"] < 1e-2) + self.assertTrue(example.fsma.error["rms_rel"] < 1e-3) + self.assertTrue(example.fisma.error["rms_rel"] < 1e-3) FILE_DIR = os.path.dirname(os.path.realpath(__file__)) diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index a4645d3..22433b7 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -23,7 +23,7 @@ class TestFit(unittest.TestCase): def test_max_affine(self): np.random.seed(SEED) f = MaxAffine(self.x, self.y, self.K) - self.assertTrue(f.error["rms"] < 1e-2) + self.assertTrue(f.error["rms_rel"] < 1e-2) self.assertEqual(f.__repr__(), ( "w = 0.807159*(u_1)^-0.0703921\n" "w = 0.995106*(u_1)^-0.431386\n" @@ -33,7 +33,7 @@ def test_max_affine(self): def test_softmax_affine(self): np.random.seed(SEED) f = SoftmaxAffine(self.x, self.y, self.K) - self.assertTrue(f.error["rms"] < 1e-4) + self.assertTrue(f.error["rms_rel"] < 1e-4) self.assertEqual(f.__repr__(), ( "w^3.44109 = 0.15339*(u_1)^0.584655\n" " + 0.431128*(u_1)^-2.14831\n" @@ -43,7 +43,7 @@ def test_softmax_affine(self): def test_implicit_softmax_affine(self): np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) - self.assertTrue(f.error["rms"] < 1e-5) + self.assertTrue(f.error["rms_rel"] < 1e-5) self.assertEqual(f.__repr__(), ( "1 = (0.947385/w^0.0920329)*(u_1)^0.0176859\n" " + (0.992721/w^0.349639)*(u_1)^-0.201861\n" @@ -53,7 +53,7 @@ def test_implicit_softmax_affine(self): def test_fit_ma(self): np.random.seed(SEED) f = fit(self.x, self.y, self.K, fit_type="ma") - self.assertTrue(f.error["rms"] < 1e-2) + self.assertTrue(f.error["rms_rel"] < 1e-2) self.assertEqual(f.__repr__(), ( "w = 0.807159*(u_1)^-0.0703921\n" "w = 0.995106*(u_1)^-0.431386\n" @@ -63,7 +63,7 @@ def test_fit_ma(self): def test_fit_sma(self): np.random.seed(SEED) f = fit(self.x, self.y, self.K, fit_type="sma") - self.assertTrue(f.error["rms"] < 1e-4) + self.assertTrue(f.error["rms_rel"] < 1e-4) self.assertEqual(f.__repr__(), ( "w^3.44109 = 0.15339*(u_1)^0.584655\n" " + 0.431128*(u_1)^-2.14831\n" @@ -73,7 +73,7 @@ def test_fit_sma(self): def test_fit_isma(self): np.random.seed(SEED) f = fit(self.x, self.y, self.K) - self.assertTrue(f.error["rms"] < 1e-5) + self.assertTrue(f.error["rms_rel"] < 1e-5) self.assertEqual(f.__repr__(), ( "1 = (0.947385/w^0.0920329)*(u_1)^0.0176859\n" " + (0.992721/w^0.349639)*(u_1)^-0.201861\n" @@ -90,7 +90,7 @@ def test_save_and_load(self): f1.save("artifacts/fit.pkl") strings1 = f1.__repr__() f2 = pickle.load(open("artifacts/fit.pkl", "rb")) - self.assertTrue(f2.error["rms"] < 1e-5) + self.assertTrue(f2.error["rms_rel"] < 1e-5) strings2 = f2.__repr__() self.assertEqual(strings1, strings2) @@ -128,6 +128,14 @@ def test_verbosity_1(self): ) self.assertEqual(expected_output, captured_output.getvalue()) + def test_error(self): + np.random.seed(SEED) + f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) + np.random.seed(SEED) + f2 = ImplicitSoftmaxAffine(self.x, 2*self.y, self.K) + self.assertAlmostEqual(f1.error["rms_rel"], 8.12727e-07) + self.assertAlmostEqual(f2.error["rms_rel"], 1.61329e-06) + TESTS = [TestFit] From ba0ee1a8b11b14a3edbd6df378f94d23011c4fb1 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 28 Jul 2021 22:43:57 -0700 Subject: [PATCH 24/45] pylint --- gpfit/xfoil/constraint_set.py | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/gpfit/xfoil/constraint_set.py b/gpfit/xfoil/constraint_set.py index 51aa706..2b2f02e 100644 --- a/gpfit/xfoil/constraint_set.py +++ b/gpfit/xfoil/constraint_set.py @@ -1,6 +1,10 @@ +"""xfoil constraint set""" +import numpy as np from gpfit.constraint_set import FitConstraintSet +from .wrapper import xfoil_comparison +# pylint: disable=too-many-arguments class XfoilFit(FitConstraintSet): """Special FitConstraintSet that can post-solve compare result to XFOIL @@ -15,7 +19,7 @@ def __init__( self, fitdata, ivar=None, dvars=None, name="", err_margin=None, airfoil=False ): - super(XfoilFit, self).__init__( + super().__init__( fitdata, ivar=ivar, dvars=dvars, name=name, err_margin=err_margin ) @@ -25,17 +29,15 @@ def process_result(self, result): """ if data comes from Xfoil and airfoil is provided check against xfoil """ - super(XfoilFit, self).process_result(result) + super().process_result(result) if self.mfac not in result["sensitivities"]["constants"]: return - if amax([abs(result["sensitivities"]["constants"][self.mfac])]) < 1e-5: + if np.amax([abs(result["sensitivities"]["constants"][self.mfac])]) < 1e-5: return if not self.airfoil: return - from .xfoilWrapper import xfoil_comparison - cl, re = 0.0, 0.0 for dvar in self.dvars: if "Re" in str(dvar): @@ -46,7 +48,7 @@ def process_result(self, result): if not hasattr(cl, "__len__") and hasattr(re, "__len__"): cl = [cl]*len(re) err, cdx = xfoil_comparison(self.airfoil, cl, re, cd) - ind = where(err > 0.05)[0] + ind = np.where(err > 0.05)[0] for i in ind: msg = ( "Drag error for %s is %.2f. Re=%.1f; CL=%.4f;" From 1e8e659fcb423c6d0b8eda1d4498961ca8c5ce00 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 29 Jul 2021 10:50:57 -0700 Subject: [PATCH 25/45] v0.2.0 (#105) --- gpfit/__init__.py | 2 +- setup.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/gpfit/__init__.py b/gpfit/__init__.py index a5e010a..93f9135 100644 --- a/gpfit/__init__.py +++ b/gpfit/__init__.py @@ -1,4 +1,4 @@ "Package for GP-compatible data fitting" -__version__ = "1.0.0" +__version__ = "0.2.0" from .fit import fit diff --git a/setup.py b/setup.py index d5d4b64..d185eec 100644 --- a/setup.py +++ b/setup.py @@ -31,7 +31,7 @@ url="https://github.com/convexengineering/gpfit", python_requires=">=3.4", install_requires=["numpy", "scipy", "gpkit", "matplotlib"], - version="0.1.0", + version="0.2.0", packages=["gpfit", "gpfit.tests", "gpfit.xfoil"], license=LICENSE, ) From 76e13047e340830ad908a06e2896847a9bc1f120 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 29 Jul 2021 10:58:08 -0700 Subject: [PATCH 26/45] Remove unneeded pylint disables --- gpfit/classes.py | 2 -- gpfit/constraint_set.py | 5 ++--- 2 files changed, 2 insertions(+), 5 deletions(-) diff --git a/gpfit/classes.py b/gpfit/classes.py index dba8822..854c58c 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -12,8 +12,6 @@ # pylint: disable=too-many-locals # pylint: disable=too-many-arguments -# pylint: disable=too-many-branches -# pylint: disable=import-error # pylint: disable=too-many-instance-attributes class _Fit: """The base class for GPfit""" diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index 2e90d28..ebfbfd7 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -5,9 +5,8 @@ from gpkit.small_scripts import initsolwarning, appendsolwarning -# pylint: disable=too-many-instance-attributes, too-many-locals, -# pylint: disable=too-many-branches, no-member, import-error -# pylint: disable=too-many-arguments, import-outside-toplevel +# pylint: disable=too-many-branches +# pylint: disable=too-many-arguments class FitConstraintSet(ConstraintSet): """ Constraint set for fitted functions From d156c756b43133cec15a69791afe436452f88dc8 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 29 Jul 2021 11:11:58 -0700 Subject: [PATCH 27/45] Delete commented code in conf.py * And update link in README --- README.md | 3 +-- docs/source/conf.py | 10 ---------- 2 files changed, 1 insertion(+), 12 deletions(-) diff --git a/README.md b/README.md index 956be03..6d0b413 100644 --- a/README.md +++ b/README.md @@ -3,8 +3,7 @@ **[Documentation](http://gpfit.readthedocs.org/)** | [Examples](http://gpfit.readthedocs.org/en/latest/examples.html) | GPfit is a Python package for fitting geometric programming models to data. -This [paper](https://convex.mit.edu/publications/gpfitting.pdf) describes the -approach. +This [paper](https://dspace.mit.edu/bitstream/handle/1721.1/105753/11081_2016_9332_ReferencePDF.pdf?sequence=2&isAllowed=y) describes the approach. GPfit requires installation of [GPkit](http://gpkit.readthedocs.org/en/latest/). [![Build Status](https://acdl.mit.edu/csi/buildStatus/icon?job=CE_gpfit_Push)](https://acdl.mit.edu/csi/job/CE_gpfit_Push/) diff --git a/docs/source/conf.py b/docs/source/conf.py index e7b422e..c282215 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -4,16 +4,6 @@ # list see the documentation: # https://www.sphinx-doc.org/en/master/usage/configuration.html -# -- Path setup -------------------------------------------------------------- - -# If extensions (or modules to document with autodoc) are in another directory, -# add these directories to sys.path here. If the directory is relative to the -# documentation root, use os.path.abspath to make it absolute, like shown here. -# -# import os -# import sys -# sys.path.insert(0, os.path.abspath('.')) - # -- Project information ----------------------------------------------------- From 8831e4e86f3097bba9398e2baeef51a97f2daab1 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sun, 8 Aug 2021 19:04:28 -0700 Subject: [PATCH 28/45] Uniform docstrings using numpy style for autodoc (#7) * Also includes _Fit documentation (its __init__ is important) * And orders classes with same order as in source --- docs/source/conf.py | 3 ++ docs/source/reference.rst | 11 +++++ gpfit/classes.py | 90 +++++++++++++++++++-------------------- gpfit/constraint_set.py | 31 +++++++------- gpfit/fit.py | 30 +++++++------ gpfit/maths/initialize.py | 19 ++++----- gpfit/maths/logsumexp.py | 40 ++++++++--------- 7 files changed, 118 insertions(+), 106 deletions(-) diff --git a/docs/source/conf.py b/docs/source/conf.py index c282215..f181b6e 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -7,6 +7,9 @@ # -- Project information ----------------------------------------------------- +import sys +import os +sys.path.insert(0, os.path.abspath('../../../gpfit')) import gpfit __version__ = gpfit.__version__ version = 'v' + '.'.join(__version__.split('.')[:4]) diff --git a/docs/source/reference.rst b/docs/source/reference.rst index 3793f84..5d16529 100644 --- a/docs/source/reference.rst +++ b/docs/source/reference.rst @@ -8,9 +8,20 @@ Fit :members: :show-inheritance: +Classes +======= + +.. automodule:: gpfit.classes + :members: + :private-members: + :special-members: __init__ + :show-inheritance: + :member-order: bysource + Fit Constraint Set ================== .. automodule:: gpfit.constraint_set :members: + :special-members: __init__ :show-inheritance: diff --git a/gpfit/classes.py b/gpfit/classes.py index 854c58c..709c2ed 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -16,26 +16,25 @@ class _Fit: """The base class for GPfit""" def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): - """ - Initialize Fit object + """Initialize _Fit object Arguments --------- - xdata: Independent variable data - 2D numpy array [nDim, nPoints] - [[<--------- x1 ------------->] - [<--------- x2 ------------->]] + xdata: 2D numpy array [nDim, nPoints] + Independent variable data - ydata: Dependent variable data - 1D numpy array [nPoints,] - [<---------- y ------------->] + ydata: 1D numpy array [nPoints,] + Dependent variable data - K: Number of terms + K: int + Number of terms - alpha0: Initial guess for smoothing parameter alpha + alpha0: + Initial guess for smoothing parameter alpha + + verbosity: int (0 or 1) + Verbosity - Returns - ------- """ if ydata.ndim > 1: @@ -209,23 +208,21 @@ def evaluate(x, params): Evaluates max affine function at values of x, given a set of max affine fit parameters. - Arguments - --------- - x: 2D array [nPoints x nDim] - Independent variable data + Args + ---- + x: 2D array [nPoints x nDim] + Independent variable data - ba: 2D array - max affine fit parameters - [[b1, a11, ... a1k] - [ ...., ] - [bk, ak1, ... akk]] + ba: 2D array + Max affine fit parameters + [[b1, a11, ... a1k], [...], [bk, ak1, ... akk]] Returns ------- - y: 1D array [nPoints] - Max affine output - dydba: 2D array [nPoints x (nDim + 1)*K] - dydba + y: 1D array [nPoints] + Max affine output + dydba: 2D array [nPoints x (nDim + 1)*K] + dydba """ ba = params npt, dimx = x.shape @@ -284,20 +281,20 @@ def evaluate(x, params): Arguments: ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] + x: 2D numpy array [nPoints x nDimensions] + Independent variable data - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha] + params: 1D numpy array [(nDim + 2)*K,] + Fit parameters + [b1, a11, .. a1d, b2, a21, .. a2d, ... bK, aK1, aK2, .. aKd, alpha] Returns: -------- - y: SMA approximation to log transformed data - 1D numpy array [nPoints] + y: 1D numpy array [nPoints] + SMA approximation to log transformed data - dydp: Jacobian matrix + dydp + Jacobian matrix """ npt, dimx = x.shape @@ -360,25 +357,26 @@ def get_parameters(self, ba, K, d): @staticmethod def evaluate(x, params): """ - Evaluates implicit softmax affine function at values of x, given a set of - ISMA fit parameters. + Evaluates implicit softmax affine function at values of x, given a set + of ISMA fit parameters. Arguments: ---------- - x: Independent variable data - 2D numpy array [nPoints x nDimensions] + x: 2D numpy array [nPoints x nDimensions] + Independent variable data - params: Fit parameters - 1D numpy array [(nDim + 2)*K,] - [b1, a11, .. a1d, b2, a21, .. a2d, ... - bK, aK1, aK2, .. aKd, alpha1, alpha2, ... alphaK] + params: 1D numpy array [(nDim + 2)*K,] + Fit parameters + [b1, a11, .. a1d, b2, a21, .. a2d, ..., bK, aK1, aK2, .. aKd, + alpha1, alpha2, ... alphaK] Returns: -------- - y: ISMA approximation to log transformed data - 1D numpy array [nPoints] + y: 1D numpy array [nPoints] + ISMA approximation to log transformed data - dydp: Jacobian matrix + dydp + Jacobian matrix """ diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index ebfbfd7..a1f8777 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -8,23 +8,22 @@ # pylint: disable=too-many-branches # pylint: disable=too-many-arguments class FitConstraintSet(ConstraintSet): - """ - Constraint set for fitted functions - - Arguments - --------- - fit : Fit object - Fit being used to generate the constraint set - ivar : gpkit Variable, Monomial, or NomialArray - independent variable - dvars : list of gpkit Variables, Monomials, or NomialArrays - dependent variables - err_margin : string, either "max" or "rms" - flag to set margin factor using RMS or max error - - """ - + """Constraint set for fitted functions""" def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): + """Creates a FitConstraintSet + + Arguments + --------- + fit : Fit object + Fit being used to generate the constraint set + ivar : gpkit Variable, Monomial, or NomialArray + independent variable + dvars : list of gpkit Variables, Monomials, or NomialArrays + dependent variables + err_margin : string, either "max" or "rms" + flag to set margin factor using RMS or max error + + """ parameters = fit.parameters diff --git a/gpfit/fit.py b/gpfit/fit.py index ba5d53f..2aa27de 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -4,28 +4,30 @@ # pylint: disable=too-many-arguments def fit(xdata, ydata, K, fit_type="isma", alpha0=10, verbosity=0): - """A convenience function for returning a Fit object. Default behaviour - returns the highest quality of fit (implicit softmax affine) but other - options are max affine and softmax affine. + """A convenience function for returning a Fit object. + + Default behaviour returns the highest quality of fit (implicit softmax + affine) but other options are max affine and softmax affine. Arguments --------- - xdata: Independent variable data - 2D numpy array [nDim, nPoints] - [[<--------- x1 ------------->] - [<--------- x2 ------------->]] + xdata: 2D numpy array [nDim, nPoints] + Independent variable data - ydata: Dependent variable data - 1D numpy array [nPoints,] - [<---------- y ------------->] + ydata: 1D numpy array [nPoints,] + Dependent variable data - K: Number of terms + K: int + Number of terms - fit_type: Type of fit ("isma", "sma", "ma") + fit_type: str ("isma", "sma", "ma") + Type of fit - alpha0: Initial guess for smoothing parameter alpha + alpha0 + Initial guess for smoothing parameter alpha - verbosity: Verbosity + verbosity: int + Verbosity Returns ------- diff --git a/gpfit/maths/initialize.py b/gpfit/maths/initialize.py index 82d02ef..16cb4a1 100644 --- a/gpfit/maths/initialize.py +++ b/gpfit/maths/initialize.py @@ -6,23 +6,22 @@ # pylint: disable=too-many-locals def get_initial_parameters(x, y, K): - """ - Initializes max-affine fit to data (y, x) - ensures that initialization has at least K+1 points per partition (i.e. + """Initializes max-affine fit to data (y, x) + + Ensures that initialization has at least K+1 points per partition (i.e. per affine function) Arguments: ---------- - x: Independent variable data - 2D column vector [nPoints x nDims] - - y: Dependent variable data - 2D column vector [nPoints x 1] + x: 2D column vector [nPoints x nDims] + Independent variable data + y: 2D column vector [nPoints x 1] + Dependent variable data Returns: -------- - ba: Initial b and a parameters - 2D array [(dimx+1) x k] + ba: 2D array [(dimx+1) x k] + Initial b and a parameters """ diff --git a/gpfit/maths/logsumexp.py b/gpfit/maths/logsumexp.py index afd3f92..160298b 100644 --- a/gpfit/maths/logsumexp.py +++ b/gpfit/maths/logsumexp.py @@ -13,22 +13,22 @@ def lse_implicit(x, alpha): Arguments: ---------- - x: independent variable data - 2D numpy array [nPoints x nDim] + x: 2D numpy array [nPoints x nDim] + independent variable data - alpha: local softness parameter - 1D array [K] (K=number of terms) + alpha: 1D array [K] (K=number of terms) + local softness parameter Returns: -------- - y: ISMA approximation to log transformed data - 1D numpy array [nPoints] + y: 1D numpy array [nPoints] + ISMA approximation to log transformed data - dydx: Deriv of y wrt each x - 2D numpy array[nPoints x K] + dydx: 2D numpy array[nPoints x K] + Deriv of y wrt each x + + dydalpha: 2D array [nPoints x nDim] - dydalpha: - 2D array [nPoints x nDim] """ tol = 10*spacing(1) @@ -83,22 +83,22 @@ def lse_scaled(x, alpha): Arguments: ---------- - x: independent variable data - 2D numpy array [nPoints x nDim] + x: 2D numpy array [nPoints x nDim] + independent variable data - alpha: local softness parameter - 1D array [K] (K=number of terms) + alpha: 1D array [K] (K=number of terms) + local softness parameter Returns: -------- - y: ISMA approximation to log transformed data - 1D numpy array [nPoints] + y: 1D numpy array [nPoints] + ISMA approximation to log transformed data + + dydx: 2D numpy array[nPoints x nDim] + Deriv of y wrt each x - dydx: Deriv of y wrt each x - 2D numpy array[nPoints x nDim] + dydalpha: [n-element 1D array], n is number of data points - dydalpha: - [n-element 1D array], n is number of data points """ _, n = x.shape From fd4039ffc6bb9bb08048a5ab651e64d8a4777be6 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sun, 8 Aug 2021 20:18:25 -0700 Subject: [PATCH 29/45] fit.error (float) and fit.errors (dict) (#108) * rename fit.error to fit.errors and add log error * fit.error is a float (=fit.errors["rms_rel"]) * add a note explaining distinction in tutorial * also fix the overloaded use of `f` in tutorial --- docs/source/tutorial.rst | 13 ++++++++++--- gpfit/classes.py | 9 ++++++--- gpfit/constraint_set.py | 4 ++-- gpfit/tests/artifacts/fit.pkl | Bin 2626 -> 2666 bytes gpfit/tests/t_examples.py | 18 ++++++++++++------ gpfit/tests/t_fit.py | 19 ++++++++++--------- 6 files changed, 40 insertions(+), 23 deletions(-) diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst index 5740954..5c91aeb 100644 --- a/docs/source/tutorial.rst +++ b/docs/source/tutorial.rst @@ -21,9 +21,9 @@ Once a fit is generated, we can plot it: .. code:: - f, ax = f.plot() # for 1D fits - f, ax = f.plot_slices() # for 2D fits - f, ax = f.plot_surface() # for 2D fits + fig, ax = f.plot() # for 1D fits + fig, ax = f.plot_slices() # for 2D fits + fig, ax = f.plot_surface() # for 2D fits and save it: @@ -55,6 +55,13 @@ Output: .. literalinclude:: examples/ex1_output.txt +.. note:: + The maximum and root-mean-square errors printed above are calculated between + the fit and the original (i.e. not log-transformed) data. It is important to + note, however, that the fitting algorithm minimizes RMS error between the + fit and the data in logspace. For more information, see section 6 of the + paper. + Example 2 --------- diff --git a/gpfit/classes.py b/gpfit/classes.py index 709c2ed..08023f7 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -60,15 +60,18 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): self.A, self.B, self.alpha, self.params = self.get_parameters(ba, K, d) yhat = self.evaluate(xdata, self.params)[0] + yerror = yhat - ydata what = np.exp(yhat) wdata = np.exp(self.ydata) werror = what - wdata - self.error = { + self.errors = { + "rms_log": np.sqrt(np.mean(np.square(yerror))), "rms_abs": np.sqrt(np.mean(np.square(werror))), "rms_rel": np.sqrt(np.mean(np.square(werror/wdata))), "max_abs": np.sqrt(max(np.square(werror))), "max_rel": np.sqrt(max(np.square(werror/wdata))), } + self.error = self.errors["rms_rel"] if verbosity >= 1: self.print_result() @@ -177,8 +180,8 @@ def print_result(self): f"{fitstr}\n\n" f"Error\n" f"-----\n" - f"""RMS: {self.error["rms_rel"]*100:.2g}%\n""" - f"""Max: {self.error["max_rel"]*100:.2g}%\n""" + f"""RMS: {self.errors["rms_rel"]*100:.2g}%\n""" + f"""Max: {self.errors["max_rel"]*100:.2g}%\n""" ) print(printstr) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index a1f8777..cc691b1 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -34,8 +34,8 @@ def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): self.dvars = dvars self.ivar = ivar - self.rms_err = fit.error["rms_rel"] - self.max_err = fit.error["max_rel"] + self.rms_err = fit.errors["rms_rel"] + self.max_err = fit.errors["max_rel"] monos = [ parameters["c%d" % k]*NomialArray(array(dvars).T**array( diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index 34c4313228d6011da1d0725599f5e6246d9b6a14..09545875646a523eca14c14bee2e761d5e318e26 100644 GIT binary patch delta 72 zcmX>k@=AoIfn{p^MwUIC8f>XWMfpX=Q);JZ^spD@7RTr0r%%by%n)_v_ Date: Sun, 8 Aug 2021 20:57:54 -0700 Subject: [PATCH 30/45] More accurate gpfit101; log transform explained (#7) --- docs/source/conf.py | 1 + docs/source/gpfit101.rst | 18 +++++++++++++++--- docs/source/tutorial.rst | 2 +- 3 files changed, 17 insertions(+), 4 deletions(-) diff --git a/docs/source/conf.py b/docs/source/conf.py index f181b6e..ba320d6 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -27,6 +27,7 @@ 'sphinx.ext.autodoc', 'sphinx.ext.napoleon', 'sphinx.ext.autosummary', + 'sphinx.ext.autosectionlabel', ] # The name of the Pygments (syntax highlighting) style to use. diff --git a/docs/source/gpfit101.rst b/docs/source/gpfit101.rst index 0b5301d..e6247ea 100644 --- a/docs/source/gpfit101.rst +++ b/docs/source/gpfit101.rst @@ -14,7 +14,7 @@ GP-compatible fitting is the process of fitting GP-compatible functions to data. What does GPfit do? =================== -GPfit approximates a set of multivariate data points +GPfit can be used to approximate a set of multivariate data points .. math:: @@ -22,12 +22,23 @@ GPfit approximates a set of multivariate data points with a GP-compatible function, where :math:`\mathbf{u}_i` are independent variable data, :math:`w_i` are dependent variable data, and :math:`m` is the number of data points. -More specifically, GPfit takes logarithmically transformed data as an input and returns a `GPkit `_ constraint object as an output. This can then be used as part of a `GPkit `_ model to solve a geometric program. Additional functionality of GPfit includes printing the resulting function fit, calculating the RMS error, and (if :math:`d \leq 2`) plotting the fitted function over the original data. +.. _logtransform: + +More specifically, GPfit takes logarithmically transformed data + +.. math:: + + \mathbf{x} = \log(\mathbf{u})\\ + y = \log(w) + +as an input and returns a Fit object as an output. This can be used to generate a `GPkit `_ constraint object which can be used as part of a `GPkit `_ model to solve a geometric program. This fit can also be printed, saved, and (if :math:`d \leq 2`) plotted alongside the original data. GPfit is intended for use with data that can be well approximated by a log-convex function. A function is *log-convex* if it is convex after both the independent and dependent variables are transformed into logarithmic space. -GPfit can fit three different types of GP-compatible functions to data: Implicit Softmax Affine (ISMA) functions, Softmax Affine (SMA) functions, and Max Affine (MA) functions. +GPfit can fit three classes of GP-compatible functions to data: Implicit Softmax Affine (ISMA) functions, Softmax Affine (SMA) functions, and Max Affine (MA) functions. +Function Classes +================ Implicit softmax affine (ISMA) functions ++++++++++++++++++++++++++++++++++++++++ @@ -100,6 +111,7 @@ If a user specifies K = 1, GPfit will automatically return an equality constrain .. math:: w = e^{b} \prod_{i=1}^d u_i^{a_{i}} + Where can I learn more? ======================= diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst index 5c91aeb..a3b244c 100644 --- a/docs/source/tutorial.rst +++ b/docs/source/tutorial.rst @@ -1,7 +1,7 @@ Tutorial ******** -Given log-transformed data `x` and `y`, we can create a fit with `K` terms with +Given :ref:`log-transformed ` data `x` and `y`, we can create a fit with `K` terms with a single command: .. code:: From 617a3bbf02c1bcbefc4ddb933143738ce2d1a5f4 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sun, 15 Aug 2021 13:55:26 -0700 Subject: [PATCH 31/45] Test coverage of different errors (#108) --- gpfit/tests/t_fit.py | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 75d0062..2fd1a11 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -134,7 +134,15 @@ def test_error(self): np.random.seed(SEED) f2 = ImplicitSoftmaxAffine(self.x, 2*self.y, self.K) self.assertAlmostEqual(f1.errors["rms_rel"], 8.12727e-07) + self.assertAlmostEqual(f1.errors["rms_abs"], 7.43308e-07) + self.assertAlmostEqual(f1.errors["rms_log"], 8.12726e-07) + self.assertAlmostEqual(f1.errors["max_rel"], 3.52899e-06) + self.assertAlmostEqual(f1.errors["max_abs"], 3.52899e-06) self.assertAlmostEqual(f2.errors["rms_rel"], 1.61329e-06) + self.assertAlmostEqual(f2.errors["rms_abs"], 1.36908e-06) + self.assertAlmostEqual(f2.errors["rms_log"], 1.61329e-06) + self.assertAlmostEqual(f2.errors["max_rel"], 7.00807e-06) + self.assertAlmostEqual(f2.errors["max_abs"], 7.00807e-06) self.assertEqual(f1.errors["rms_rel"], f1.error) From 79111bfae8d21c2717860ea9e78699e2582445e7 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sun, 15 Aug 2021 14:08:21 -0700 Subject: [PATCH 32/45] Stricter check of error (#108) --- gpfit/tests/t_fit.py | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 2fd1a11..663fceb 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -133,16 +133,16 @@ def test_error(self): f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) np.random.seed(SEED) f2 = ImplicitSoftmaxAffine(self.x, 2*self.y, self.K) - self.assertAlmostEqual(f1.errors["rms_rel"], 8.12727e-07) - self.assertAlmostEqual(f1.errors["rms_abs"], 7.43308e-07) - self.assertAlmostEqual(f1.errors["rms_log"], 8.12726e-07) - self.assertAlmostEqual(f1.errors["max_rel"], 3.52899e-06) - self.assertAlmostEqual(f1.errors["max_abs"], 3.52899e-06) - self.assertAlmostEqual(f2.errors["rms_rel"], 1.61329e-06) - self.assertAlmostEqual(f2.errors["rms_abs"], 1.36908e-06) - self.assertAlmostEqual(f2.errors["rms_log"], 1.61329e-06) - self.assertAlmostEqual(f2.errors["max_rel"], 7.00807e-06) - self.assertAlmostEqual(f2.errors["max_abs"], 7.00807e-06) + self.assertAlmostEqual(f1.errors["rms_rel"], 8.12727e-07, places=11) + self.assertAlmostEqual(f1.errors["rms_abs"], 7.43308e-07, places=11) + self.assertAlmostEqual(f1.errors["rms_log"], 8.12726e-07, places=11) + self.assertAlmostEqual(f1.errors["max_rel"], 3.52899e-06, places=10) + self.assertAlmostEqual(f1.errors["max_abs"], 3.52899e-06, places=10) + self.assertAlmostEqual(f2.errors["rms_rel"], 1.61329e-06, places=10) + self.assertAlmostEqual(f2.errors["rms_abs"], 1.36908e-06, places=10) + self.assertAlmostEqual(f2.errors["rms_log"], 1.61329e-06, places=10) + self.assertAlmostEqual(f2.errors["max_rel"], 7.00807e-06, places=10) + self.assertAlmostEqual(f2.errors["max_abs"], 7.00807e-06, places=10) self.assertEqual(f1.errors["rms_rel"], f1.error) From e814276a6e9e7c8de5bce29ad82eb434f77e6c43 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sun, 15 Aug 2021 14:16:59 -0700 Subject: [PATCH 33/45] Cleaner calculation of max errors (#108) --- gpfit/classes.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/gpfit/classes.py b/gpfit/classes.py index 08023f7..8d34e1e 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -68,8 +68,8 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): "rms_log": np.sqrt(np.mean(np.square(yerror))), "rms_abs": np.sqrt(np.mean(np.square(werror))), "rms_rel": np.sqrt(np.mean(np.square(werror/wdata))), - "max_abs": np.sqrt(max(np.square(werror))), - "max_rel": np.sqrt(max(np.square(werror/wdata))), + "max_abs": max(abs(werror)), + "max_rel": max(abs(werror/wdata)), } self.error = self.errors["rms_rel"] From 2090a70efa362adc98903b6a10a0f091dfe5705c Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 18 Aug 2021 22:53:54 -0700 Subject: [PATCH 34/45] Include package data in setup (#101) Create MANIFEST.in and include docs/ and test/artifacts/ --- MANIFEST.in | 4 ++++ setup.py | 1 + 2 files changed, 5 insertions(+) create mode 100644 MANIFEST.in diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 0000000..eadfaac --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,4 @@ +include docs/source/*.rst +include docs/source/examples/*.txt +include docs/source/examples/*.py +include gpfit/tests/artifacts/*.txt diff --git a/setup.py b/setup.py index d185eec..b6d8b2b 100644 --- a/setup.py +++ b/setup.py @@ -33,5 +33,6 @@ install_requires=["numpy", "scipy", "gpkit", "matplotlib"], version="0.2.0", packages=["gpfit", "gpfit.tests", "gpfit.xfoil"], + include_package_data=True, license=LICENSE, ) From 11013ade4147129f04d2cc5ec885cd2beb8f5cf0 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Fri, 20 Aug 2021 14:44:50 -0700 Subject: [PATCH 35/45] Include gpfit.maths in setup.py (#101) --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index b6d8b2b..7a54adf 100644 --- a/setup.py +++ b/setup.py @@ -32,7 +32,7 @@ python_requires=">=3.4", install_requires=["numpy", "scipy", "gpkit", "matplotlib"], version="0.2.0", - packages=["gpfit", "gpfit.tests", "gpfit.xfoil"], + packages=["gpfit", "gpfit.maths", "gpfit.tests", "gpfit.xfoil"], include_package_data=True, license=LICENSE, ) From f76899f928a5574fbd9d3f677afdfe21dc1d12f0 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Sat, 21 Aug 2021 14:12:39 -0700 Subject: [PATCH 36/45] Updated build status icons in README --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 6d0b413..299d593 100644 --- a/README.md +++ b/README.md @@ -6,4 +6,5 @@ GPfit is a Python package for fitting geometric programming models to data. This [paper](https://dspace.mit.edu/bitstream/handle/1721.1/105753/11081_2016_9332_ReferencePDF.pdf?sequence=2&isAllowed=y) describes the approach. GPfit requires installation of [GPkit](http://gpkit.readthedocs.org/en/latest/). -[![Build Status](https://acdl.mit.edu/csi/buildStatus/icon?job=CE_gpfit_Push)](https://acdl.mit.edu/csi/job/CE_gpfit_Push/) +[![Build Status](https://acdl.mit.edu/csi/buildStatus/icon?job=CE_gpfit_Push_unit_tests)](https://acdl.mit.edu/csi/view/convex%20engineering/job/CE_gpfit_Push_unit_tests/) +[![Build Status](https://acdl.mit.edu/csi/buildStatus/icon?job=CE_gpfit_Push_pylint)](https://acdl.mit.edu/csi/view/convex%20engineering/job/CE_gpfit_Push_pylint/) From 0fb6b6fc4fefd30f18c5333c8f511b893d2bd7e9 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 23 Aug 2021 16:23:20 -0700 Subject: [PATCH 37/45] Updated pylint; fixed the errors (#105) --- gpfit/classes.py | 7 ++++--- gpfit/tests/artifacts/fit.pkl | Bin 2666 -> 2666 bytes gpfit/tests/t_fit.py | 7 ++++--- gpfit/xfoil/wrapper.py | 2 +- 4 files changed, 9 insertions(+), 7 deletions(-) diff --git a/gpfit/classes.py b/gpfit/classes.py index 8d34e1e..9a55963 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -156,13 +156,14 @@ def plot_slices(self): def save(self, filename="fit.pkl"): """Save Fit object to pickle""" - pickle.dump(self, open(filename, "wb")) + with open(filename, "wb") as f: + pickle.dump(self, f) def savetxt(self, filename="fit.txt"): """Save string of fit to text file using python math convention (**)""" fitstr = self.__repr__().replace("^", "**") - with open(filename, "w") as f: - f.write(fitstr) + with open(filename, "w", encoding="utf-8") as textfile: + textfile.write(fitstr) def constraint_set(self, **kwargs): """Returns constraint set""" diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index 09545875646a523eca14c14bee2e761d5e318e26..a9ff175a6f938787c28b715c87d490659d5582e7 100644 GIT binary patch delta 300 zcmaDQ@=9bwA3Njp$^Go&(v4g;0Tun*?WeR&37XQwoN8b&B||eq)R|+c@Z^K+Vp1PW zHN>#`!_0zdf|<$rW>N)9^;MwRc`JG6?bshDHu;t1 uZdHe)wx_REK4f#Km7lzoQ;k{R7}Ml?oKj3KPbdH4lxBWspgmcFD+mA_b$Jf} delta 300 zcmaDQ@=9bwA3NiY$^Go&(x*9W0xJ5q+fQkm5;UcUIn}^mN`_{Js51wb(By;cVp4BR zHP>g zV1}zso*c}PDYV4u#K_O1Nfkp*Y!%Q`ZTm7-kks6U@vtZzff+R9^*}owt&A-j4mB#3#S9 u+^y=6Wp(;m Date: Tue, 7 Sep 2021 09:36:24 -0700 Subject: [PATCH 38/45] Change test to use assertLess (#105) --- gpfit/tests/t_examples.py | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/gpfit/tests/t_examples.py b/gpfit/tests/t_examples.py index b1756a5..9889461 100644 --- a/gpfit/tests/t_examples.py +++ b/gpfit/tests/t_examples.py @@ -30,21 +30,21 @@ def test_dummy_example(self, example): def test_ex1(self, example): """test_ex1""" - self.assertTrue(example.fma.errors["rms_rel"] < 1e-2) - self.assertTrue(example.fma.errors["rms_log"] < 1e-2) - self.assertTrue(example.fsma.errors["rms_rel"] < 1e-4) - self.assertTrue(example.fsma.errors["rms_log"] < 1e-4) - self.assertTrue(example.fisma.errors["rms_rel"] < 1e-5) - self.assertTrue(example.fisma.errors["rms_log"] < 1e-5) + self.assertLess(example.fma.errors["rms_rel"], 1e-2) + self.assertLess(example.fma.errors["rms_log"], 1e-2) + self.assertLess(example.fsma.errors["rms_rel"], 1e-4) + self.assertLess(example.fsma.errors["rms_log"], 1e-4) + self.assertLess(example.fisma.errors["rms_rel"], 1e-5) + self.assertLess(example.fisma.errors["rms_log"], 1e-5) def test_ex2(self, example): """test_ex2""" - self.assertTrue(example.fma.errors["rms_rel"] < 1e-2) - self.assertTrue(example.fma.errors["rms_log"] < 1e-2) - self.assertTrue(example.fsma.errors["rms_rel"] < 1e-3) - self.assertTrue(example.fsma.errors["rms_log"] < 1e-3) - self.assertTrue(example.fisma.errors["rms_rel"] < 1e-3) - self.assertTrue(example.fisma.errors["rms_log"] < 1e-3) + self.assertLess(example.fma.errors["rms_rel"], 1e-2) + self.assertLess(example.fma.errors["rms_log"], 1e-2) + self.assertLess(example.fsma.errors["rms_rel"], 1e-3) + self.assertLess(example.fsma.errors["rms_log"], 1e-3) + self.assertLess(example.fisma.errors["rms_rel"], 1e-3) + self.assertLess(example.fisma.errors["rms_log"], 1e-3) FILE_DIR = os.path.dirname(os.path.realpath(__file__)) From 17917882455b3e2c483ab9dea304f8d88498bac1 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Mon, 11 Oct 2021 23:43:40 -0700 Subject: [PATCH 39/45] Testing hard-code seed in initialize (#102)(#33) --- gpfit/maths/initialize.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/gpfit/maths/initialize.py b/gpfit/maths/initialize.py index 16cb4a1..b7623b0 100644 --- a/gpfit/maths/initialize.py +++ b/gpfit/maths/initialize.py @@ -1,7 +1,7 @@ "Implements get_initial_parameters" +import numpy as np from numpy import ones, hstack, zeros, tile, argmin from numpy.linalg import lstsq, matrix_rank -from numpy.random import permutation as randperm # pylint: disable=too-many-locals @@ -17,6 +17,8 @@ def get_initial_parameters(x, y, K): Independent variable data y: 2D column vector [nPoints x 1] Dependent variable data + K: int + Number of terms in fit Returns: -------- @@ -31,7 +33,9 @@ def get_initial_parameters(x, y, K): X = hstack((ones((npt, 1)), x)) b = zeros((dimx + 1, K)) - randinds = randperm(npt)[0:K] # Choose K unique indices + + rng = np.random.RandomState(33404) + randinds = rng.permutation(npt)[0:K] # Choose K unique indices # partition based on distances sqdists = zeros((npt, K)) From 9b5b9d5e4ea9f49daf4d8acd1ae17663dcdea057 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 12 Oct 2021 12:03:51 -0700 Subject: [PATCH 40/45] Remove seed setting from TestFit functions (#102)(#33) --- gpfit/tests/t_fit.py | 12 ------------ 1 file changed, 12 deletions(-) diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index afaa0f4..3f28b1e 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -13,7 +13,6 @@ class TestFit(unittest.TestCase): """Test fit class""" - np.random.seed(SEED) u = logspace(0, log10(3), 101) w = (u**2 + 3)/(u + 1)**2 x = log(u) @@ -21,7 +20,6 @@ class TestFit(unittest.TestCase): K = 3 def test_max_affine(self): - np.random.seed(SEED) f = MaxAffine(self.x, self.y, self.K) self.assertTrue(f.errors["rms_rel"] < 1e-2) self.assertEqual(f.__repr__(), ( @@ -31,7 +29,6 @@ def test_max_affine(self): )) def test_softmax_affine(self): - np.random.seed(SEED) f = SoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.errors["rms_rel"] < 1e-4) self.assertEqual(f.__repr__(), ( @@ -41,7 +38,6 @@ def test_softmax_affine(self): )) def test_implicit_softmax_affine(self): - np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.errors["rms_rel"] < 1e-5) self.assertEqual(f.__repr__(), ( @@ -51,7 +47,6 @@ def test_implicit_softmax_affine(self): )) def test_fit_ma(self): - np.random.seed(SEED) f = fit(self.x, self.y, self.K, fit_type="ma") self.assertTrue(f.errors["rms_rel"] < 1e-2) self.assertEqual(f.__repr__(), ( @@ -61,7 +56,6 @@ def test_fit_ma(self): )) def test_fit_sma(self): - np.random.seed(SEED) f = fit(self.x, self.y, self.K, fit_type="sma") self.assertTrue(f.errors["rms_rel"] < 1e-4) self.assertEqual(f.__repr__(), ( @@ -71,7 +65,6 @@ def test_fit_sma(self): )) def test_fit_isma(self): - np.random.seed(SEED) f = fit(self.x, self.y, self.K) self.assertTrue(f.errors["rms_rel"] < 1e-5) self.assertEqual(f.__repr__(), ( @@ -85,7 +78,6 @@ def test_incorrect_inputs(self): MaxAffine(self.x, vstack((self.y, self.y)), self.K) def test_save_and_load(self): - np.random.seed(SEED) f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) f1.save("artifacts/fit.pkl") strings1 = f1.__repr__() @@ -96,7 +88,6 @@ def test_save_and_load(self): self.assertEqual(strings1, strings2) def test_savetxt(self): - np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) f.savetxt("artifacts/fit.txt") with open("artifacts/fit.txt", "r", encoding="utf-8") as textfile: @@ -110,7 +101,6 @@ def test_savetxt(self): def test_verbosity_1(self): captured_output = StringIO() sys.stdout = captured_output - np.random.seed(SEED) ImplicitSoftmaxAffine(self.x, self.y, self.K, verbosity=1) sys.stdout = sys.__stdout__ expected_output = ( @@ -130,9 +120,7 @@ def test_verbosity_1(self): self.assertEqual(expected_output, captured_output.getvalue()) def test_error(self): - np.random.seed(SEED) f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) - np.random.seed(SEED) f2 = ImplicitSoftmaxAffine(self.x, 2*self.y, self.K) self.assertAlmostEqual(f1.errors["rms_rel"], 8.12727e-07, places=11) self.assertAlmostEqual(f1.errors["rms_abs"], 7.43308e-07, places=11) From ddf4778f345607934a42d91a98c326c8d21f5499 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 12 Oct 2021 14:32:53 -0700 Subject: [PATCH 41/45] Convert to f-string formatting (#105) --- gpfit/classes.py | 36 +++++++++++++++++------------------ gpfit/constraint_set.py | 16 ++++++++-------- gpfit/maths/least_squares.py | 7 +++---- gpfit/tests/t_fit.py | 3 --- gpfit/xfoil/constraint_set.py | 15 ++++----------- gpfit/xfoil/wrapper.py | 16 +++++++--------- 6 files changed, 39 insertions(+), 54 deletions(-) diff --git a/gpfit/classes.py b/gpfit/classes.py index 9a55963..13786d5 100644 --- a/gpfit/classes.py +++ b/gpfit/classes.py @@ -52,8 +52,8 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): self.bounds["ub0"] = np.exp(max(xdata.reshape(xdata.size))) else: for i in range(d): - self.bounds["lb%d" % i] = np.exp(min(xdata.T[i])) - self.bounds["ub%d" % i] = np.exp(max(xdata.T[i])) + self.bounds[f"lb{i}"] = np.exp(min(xdata.T[i])) + self.bounds[f"ub{i}"] = np.exp(max(xdata.T[i])) ba = get_initial_parameters(xdata, ydata.reshape(self.ydata.size, 1), K).flatten("F") @@ -150,7 +150,7 @@ def plot_slices(self): u1, u2slice = np.exp(x1), np.exp(x2slice) ww = np.exp(yy) ax.plot(u1, ww, c=cm.viridis(norm(u2slice)), - label="{0:.3g}".format(u2slice)) + label=f"{u2slice:.3g}") ax.legend(title="u2") return fig, ax @@ -201,9 +201,9 @@ def get_parameters(self, ba, K, d): self.parameters["a1"] = alpha for k in range(K): - self.parameters["c%d" % k] = np.exp(B[k]) + self.parameters[f"c{k}"] = np.exp(B[k]) for i in range(d): - self.parameters["e%d%d" % (k, i)] = A[d*k + i] + self.parameters[f"e{k}{i}"] = A[d*k + i] return A, B, alpha, params @staticmethod @@ -250,9 +250,9 @@ def __repr__(self): A, B = self.A, self.B string_list = [None]*K for k in range(K): - print_string = "w = {0:.6g}".format(np.exp(B[k])) + print_string = f"w = {np.exp(B[k]):.6g}" for i in range(d): - print_string += "*(u_{0:d})^{1:.6g}".format(i + 1, A[d*k + i]) + print_string += f"*(u_{i + 1})^{A[d*k + i]:.6g}" string_list[k] = print_string return "\n".join(string_list) @@ -272,9 +272,9 @@ def get_parameters(self, ba, K, d): self.parameters["a1"] = alpha for k in range(K): - self.parameters["c%d" % k] = np.exp(alpha*B[k]) + self.parameters[f"c{k}"] = np.exp(alpha*B[k]) for i in range(d): - self.parameters["e%d%d" % (k, i)] = alpha*A[d*k + i] + self.parameters[f"e{k}{i}"] = alpha*A[d*k + i] return A, B, alpha, params @staticmethod @@ -327,13 +327,13 @@ def __repr__(self): K, d = self.K, self.d A, B, alpha = self.A, self.B, self.alpha string_list = [None]*K - print_string = "w^{0:.6g} = ".format(alpha) + print_string = f"w^{alpha:.6g} = " for k in range(K): if k > 0: print_string = " + " - print_string += "{0:.6g}".format(np.exp(alpha*B[k])) + print_string += f"{np.exp(alpha*B[k]):.6g}" for i in range(d): - print_string += "*(u_{0:d})^{1:.6g}".format(i + 1, alpha*A[d*k + i]) + print_string += f"*(u_{i + 1:d})^{alpha*A[d*k + i]:.6g}" string_list[k] = print_string return "\n".join(string_list) @@ -352,10 +352,10 @@ def get_parameters(self, ba, K, d): alpha = 1/params[list(range(-K, 0))] for k in range(K): - self.parameters["c%d" % k] = np.exp(alpha[k]*B[k]) - self.parameters["a%d" % k] = alpha[k] + self.parameters[f"c{k}"] = np.exp(alpha[k]*B[k]) + self.parameters[f"a{k}"] = alpha[k] for i in range(d): - self.parameters["e%d%d" % (k, i)] = alpha[k]*A[d*k + i] + self.parameters[f"e{k}{i}"] = alpha[k]*A[d*k + i] return A, B, alpha, params @staticmethod @@ -411,10 +411,8 @@ def __repr__(self): for k in range(K): if k > 0: print_string = " + " - print_string += "({0:.6g}/w^{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) + print_string += f"({np.exp(alpha[k]*B[k]):.6g}/w^{alpha[k]:.6g})" for i in range(d): - print_string += "*(u_{0:d})^{1:.6g}".format( - i + 1, alpha[k]*A[d*k + i] - ) + print_string += f"*(u_{i + 1:d})^{alpha[k]*A[d*k + i]:.6g}" string_list[k] = print_string return "\n".join(string_list) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index cc691b1..97eb749 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -38,8 +38,8 @@ def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): self.max_err = fit.errors["max_rel"] monos = [ - parameters["c%d" % k]*NomialArray(array(dvars).T**array( - [parameters["e%d%d" % (k, i)] for i in range(fit.d)] + parameters[f"c{k}"]*NomialArray(array(dvars).T**array( + [parameters[f"e{k}{i}"] for i in range(fit.d)] )).prod(NomialArray(dvars).ndim - 1) for k in range(fit.K) ] @@ -52,7 +52,7 @@ def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): if fit.type == "ImplictSoftmaxAffine": # constraint of the form 1 >= c1*u1^exp1*u2^exp2*w^(-alpha) + .... - alpha = array([parameters["a%d" % k] for k in range(fit.K)]) + alpha = array([parameters[f"a{k}"] for k in range(fit.K)]) lhs, rhs = 1, NomialArray(monos/(ivar/self.mfac)**alpha).sum(0) elif fit.type == "SoftmaxAffine": # constraint of the form w^alpha >= c1*u1^exp1 + c2*u2^exp2 +.... @@ -82,7 +82,7 @@ def __init__(self, fit, ivar=None, dvars=None, name="fit", err_margin=None): self.bounds = {} for i, dvar in enumerate(self.dvars): - self.bounds[dvar] = [fit.bounds["lb%d" % i], fit.bounds["ub%d" % i]] + self.bounds[dvar] = [fit.bounds[f"lb{i}"], fit.bounds[f"ub{i}"]] ConstraintSet.__init__(self, [self.constraint]) @@ -113,9 +113,9 @@ def process_result(self, result): if direct: msg = ( - "Variable %.100s could cause inaccurate result" - " because it is %s" % (dvar, state) - + " %s bound. Solution is %.4f but" - " bound is %.4f" % (direct, amax([num]), bnd) + f"Variable {dvar} could cause inaccurate result" + f" because it is {state}" + f" {direct} bound. Solution is {amax([num]):.4f} but" + f" bound is {bnd:.4f}" ) appendsolwarning(msg, self, result, "Fit Out-of-Bounds") diff --git a/gpfit/maths/least_squares.py b/gpfit/maths/least_squares.py index 3cc4a18..44d252c 100644 --- a/gpfit/maths/least_squares.py +++ b/gpfit/maths/least_squares.py @@ -74,9 +74,8 @@ def levenberg_marquardt( r.shape = (npt, 1) # Make r into column vector if J.shape != (npt, nparam): - raise ValueError( - "Jacobian size %s inconsistent with (%s, %s)" % (J.shape, npt, nparam) - ) + errstr = f"Jacobian size {J.shape} inconsistent with ({npt}, {nparam})" + raise ValueError(errstr) # "Accept" initial point rms = norm(r)/np.sqrt(npt) # 2-norm @@ -108,7 +107,7 @@ def levenberg_marquardt( break elif time() - t > maxtime: if verbose: - print("Reached maxtime (%s seconds)" % maxtime) + print(f"Reached maxtime ({maxtime} seconds)") break elif itr >= 2 and abs(rmstraj[itr] - rmstraj[itr - 2]) < rmstraj[itr]*tolrms: # Should really only allow this exit case diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 3f28b1e..51283a4 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -3,12 +3,9 @@ import pickle import sys from io import StringIO -import numpy as np from numpy import logspace, log10, log, vstack from gpfit.fit import fit, MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -SEED = 33404 - class TestFit(unittest.TestCase): """Test fit class""" diff --git a/gpfit/xfoil/constraint_set.py b/gpfit/xfoil/constraint_set.py index 2b2f02e..1c30304 100644 --- a/gpfit/xfoil/constraint_set.py +++ b/gpfit/xfoil/constraint_set.py @@ -50,16 +50,9 @@ def process_result(self, result): err, cdx = xfoil_comparison(self.airfoil, cl, re, cd) ind = np.where(err > 0.05)[0] for i in ind: + modelstr = ", ".join(self.ivar.descr["models"]) msg = ( - "Drag error for %s is %.2f. Re=%.1f; CL=%.4f;" - " Xfoil cd=%.6f, GP sol cd=%.6f" - % ( - ", ".join(self.ivar.descr["models"]), - err[i], - re[i], - cl[i], - cd[i], - cdx[i], - ) + f"Drag error for {modelstr} is {err[i]:.2f}. Re={re[i]:.1f};" + f" CL={cl[i]:.4f}; Xfoil cd={cd[i]:.6f}, GP sol cd={cdx[i]:.6f}" ) - print("Warning: %s" % msg) + print(f"Warning: {msg}") diff --git a/gpfit/xfoil/wrapper.py b/gpfit/xfoil/wrapper.py index 5e32345..5bd4e39 100644 --- a/gpfit/xfoil/wrapper.py +++ b/gpfit/xfoil/wrapper.py @@ -5,8 +5,6 @@ # pylint: disable=invalid-name, bare-except, too-many-locals # pylint: disable=too-many-arguments, consider-using-with - - def xfoil_comparison(airfoil, Cl, Re, Cd): """ Comparison of XFOIL Cd to input Cd for given Cl and Re. @@ -42,16 +40,16 @@ def xfoil_comparison(airfoil, Cl, Re, Cd): err, cdxs = [], [] for cl, re, cd in zip(Cl, Re, Cd): - failmsg = "Xfoil call failed at CL=%.4f and Re=%.1f" % (cl, re) + failmsg = f"Xfoil call failed at CL={cl:.4f} and Re={re:.1f}" try: x = single_call(topline, cl, re, 0.0) if "VISCAL: Convergence failed" in x: - print("Convergence Warning: %s" % failmsg) + print(f"Convergence Warning: {failmsg}") cdx = cd else: cdx = x[0] except subprocess.CalledProcessError: - print("Unable to start Xfoil: %s" % failmsg) + print(f"Unable to start Xfoil: {failmsg}") cdx = cd err.append(1 - cd/cdx) @@ -94,13 +92,13 @@ def single_call(topline, cl, Re, M, max_iter=100, pathname="/usr/local/bin/xfoil proc.stdin.write( topline + "oper \n" - + "iter %d\n" % (max_iter) + + f"iter {max_iter}\n" + "visc \n" - + "%.2e \n" % (Re) + + f"{Re:.2e} \n" + "M \n" - + "%.2f \n" % (M) + + f"{M:.2f} \n" + "a 2.0 \n" - + "cl %.4f \n" % (cl) + + f"cl {cl:.4f} \n" + "\n" + "quit \n" ) From 5bb96e832df8fb8709142db7ee7d4cd43f7a18db Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 12 Oct 2021 21:30:05 -0700 Subject: [PATCH 42/45] No more seeds anywhere (#105) --- docs/source/examples/ex1.py | 2 -- docs/source/examples/ex1_output.txt | 12 ++++++------ docs/source/examples/ex2.py | 7 +++---- docs/source/examples/ex2_output.txt | 18 +++++++++--------- gpfit/tests/t_initialize.py | 4 ---- gpfit/tests/t_logsumexp.py | 4 ---- gpfit/tests/t_plot_fit.py | 10 +++------- 7 files changed, 21 insertions(+), 36 deletions(-) diff --git a/docs/source/examples/ex1.py b/docs/source/examples/ex1.py index 74c13fb..8385a2f 100644 --- a/docs/source/examples/ex1.py +++ b/docs/source/examples/ex1.py @@ -2,8 +2,6 @@ import numpy as np from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -np.random.seed(33404) - u = np.logspace(0, np.log10(3), 101) w = (u**2 + 3)/(u + 1)**2 x = np.log(u) diff --git a/docs/source/examples/ex1_output.txt b/docs/source/examples/ex1_output.txt index ee38f79..d5f1205 100644 --- a/docs/source/examples/ex1_output.txt +++ b/docs/source/examples/ex1_output.txt @@ -15,9 +15,9 @@ Generated SoftmaxAffine fit with 3 terms. Fit --- -w^3.4411 = 0.422736*(u_1)^-2.14843 - + 0.424169*(u_1)^-2.14784 - + 0.15339*(u_1)^0.584654 +w^3.44109 = 0.15339*(u_1)^0.584655 + + 0.431128*(u_1)^-2.14831 + + 0.415776*(u_1)^-2.14794 Error ----- @@ -28,9 +28,9 @@ Generated ImplicitSoftmaxAffine fit with 3 terms. Fit --- -1 = (0.992648/w^0.35353)*(u_1)^-0.204093 - + (0.947302/w^0.0920266)*(u_1)^0.017725 - + (0.961409/w^0.11673)*(u_1)^-0.011164 +1 = (0.947385/w^0.0920329)*(u_1)^0.0176859 + + (0.992721/w^0.349639)*(u_1)^-0.201861 + + (0.961596/w^0.116677)*(u_1)^-0.0112199 Error ----- diff --git a/docs/source/examples/ex2.py b/docs/source/examples/ex2.py index 88f3ec0..2ce8840 100644 --- a/docs/source/examples/ex2.py +++ b/docs/source/examples/ex2.py @@ -2,10 +2,9 @@ import numpy as np from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -np.random.seed(33404) - -Vdd = np.random.random_sample(1000) + 1 -Vth = 0.2*np.random.random_sample(1000) + 0.2 +rng = np.random.RandomState(33404) +Vdd = rng.random_sample(1000) + 1 +Vth = 0.2*rng.random_sample(1000) + 0.2 P = Vdd**2 + 30*Vdd*np.exp(-(Vth - 0.06*Vdd)/0.039) u = np.vstack((Vdd, Vth)) diff --git a/docs/source/examples/ex2_output.txt b/docs/source/examples/ex2_output.txt index 7ff068c..2f5ce87 100644 --- a/docs/source/examples/ex2_output.txt +++ b/docs/source/examples/ex2_output.txt @@ -2,10 +2,10 @@ Generated MaxAffine fit with 4 terms. Fit --- +w = 0.38541*(u_1)^2.13119*(u_2)^-0.826143 +w = 0.0175649*(u_1)^2.84017*(u_2)^-2.78935 w = 0.0877784*(u_1)^2.3499*(u_2)^-1.86683 w = 0.824389*(u_1)^2.02321*(u_2)^-0.203195 -w = 0.0175649*(u_1)^2.84017*(u_2)^-2.78935 -w = 0.38541*(u_1)^2.13119*(u_2)^-0.826143 Error ----- @@ -16,10 +16,10 @@ Generated SoftmaxAffine fit with 4 terms. Fit --- -w^2.22467 = 5.42035e-05*(u_1)^5.24451*(u_2)^-6.68343 - + 3.61239e-08*(u_1)^9.613*(u_2)^-9.4893 - + 1.07674e-05*(u_1)^0.538839*(u_2)^-6.12098 - + 1.0777*(u_1)^4.43371*(u_2)^0.0978425 +w^2.22466 = 5.42048e-05*(u_1)^5.24448*(u_2)^-6.68342 + + 3.61261e-08*(u_1)^9.61297*(u_2)^-9.48927 + + 1.07668e-05*(u_1)^0.538372*(u_2)^-6.12093 + + 1.0777*(u_1)^4.4337*(u_2)^0.097843 Error ----- @@ -30,10 +30,10 @@ Generated ImplicitSoftmaxAffine fit with 4 terms. Fit --- -1 = (0.309986/w^0.309511)*(u_1)^0.6327*(u_2)^-0.813931 +1 = (0.889775/w^0.242028)*(u_1)^0.485343*(u_2)^-0.0942001 + (0.012176/w^0.67353)*(u_1)^2.61311*(u_2)^-2.59033 - + (0.889774/w^0.242028)*(u_1)^0.485343*(u_2)^-0.0942005 - + (1.00588/w^0.0753052)*(u_1)^0.149934*(u_2)^0.0116639 + + (0.309986/w^0.309511)*(u_1)^0.632701*(u_2)^-0.813932 + + (1.00588/w^0.075305)*(u_1)^0.149933*(u_2)^0.0116638 Error ----- diff --git a/gpfit/tests/t_initialize.py b/gpfit/tests/t_initialize.py index b4c8435..8521306 100644 --- a/gpfit/tests/t_initialize.py +++ b/gpfit/tests/t_initialize.py @@ -1,12 +1,9 @@ "unit tests for get_initial_parameters function" import unittest -import numpy as np from numpy import arange, newaxis, vstack, log, exp from numpy.random import random_sample from gpfit.maths.initialize import get_initial_parameters -SEED = 33404 - class TestMaxAffineInitK2(unittest.TestCase): """ @@ -34,7 +31,6 @@ class TestMaxAffineInitK4(unittest.TestCase): of the expected shape and size """ - np.random.seed(SEED) Vdd = random_sample(1000) + 1 Vth = 0.2*random_sample(1000) + 0.2 P = Vdd**2 + 30*Vdd*exp(-(Vth - 0.06*Vdd)/0.039) diff --git a/gpfit/tests/t_logsumexp.py b/gpfit/tests/t_logsumexp.py index 51758d6..52bb17d 100644 --- a/gpfit/tests/t_logsumexp.py +++ b/gpfit/tests/t_logsumexp.py @@ -4,8 +4,6 @@ from numpy import array, arange from gpfit.maths.logsumexp import lse_implicit, lse_scaled -SEED = 33404 - class TestLSEimplicit1D(unittest.TestCase): "tests with one-dimensional input" @@ -36,8 +34,6 @@ def test_dydalpha_size(self): class TestLSEimplicit2D(unittest.TestCase): "tests with 2D input" - np.random.seed(SEED) - K = 4 x = np.random.rand(1000, K) alpha = array([1.499, 13.703, 3.219, 4.148]) diff --git a/gpfit/tests/t_plot_fit.py b/gpfit/tests/t_plot_fit.py index 4cfdb52..fd1fa5d 100644 --- a/gpfit/tests/t_plot_fit.py +++ b/gpfit/tests/t_plot_fit.py @@ -3,13 +3,10 @@ import numpy as np from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine -SEED = 33404 - class TestPlot(unittest.TestCase): "Unit tests for plot methods" - np.random.seed(SEED) N = 51 u = np.logspace(0, np.log10(3), N) w = (u**2 + 3)/(u + 1)**2 @@ -36,9 +33,9 @@ def test_implicit_softmax_affine(self): class TestPlotSurface(unittest.TestCase): "Unit tests for plot_surface methods" - np.random.seed(SEED) - Vdd = np.random.random_sample(100) + 1 - Vth = 0.2*np.random.random_sample(100) + 0.2 + rng = np.random.RandomState(33404) + Vdd = rng.random_sample(100) + 1 + Vth = 0.2*rng.random_sample(100) + 0.2 P = Vdd**2 + 30*Vdd*np.exp(-(Vth - 0.06*Vdd)/0.039) u = np.vstack((Vdd, Vth)) x = np.log(u) @@ -64,7 +61,6 @@ def test_implicit_softmax_affine(self): class TestPlotSlices(unittest.TestCase): "Unit tests for plot_slices method" - np.random.seed(SEED) Vdd = np.linspace(1, 2, 10) Vth = np.linspace(0.2, 0.4, 5) Vdd, Vth = np.meshgrid(Vdd, Vth) From 4b55ba2859bf0f54ef1a378f6a2e70a515b9de53 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 13 Oct 2021 19:15:02 -0700 Subject: [PATCH 43/45] Old school debugging (#33) --- gpfit/maths/initialize.py | 1 + 1 file changed, 1 insertion(+) diff --git a/gpfit/maths/initialize.py b/gpfit/maths/initialize.py index b7623b0..88d5bb3 100644 --- a/gpfit/maths/initialize.py +++ b/gpfit/maths/initialize.py @@ -36,6 +36,7 @@ def get_initial_parameters(x, y, K): rng = np.random.RandomState(33404) randinds = rng.permutation(npt)[0:K] # Choose K unique indices + print(randinds) # partition based on distances sqdists = zeros((npt, K)) From 1ac7b70a88209006270f59f4f5fbcb271e065cbe Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Wed, 13 Oct 2021 19:33:56 -0700 Subject: [PATCH 44/45] More experimentation (#33) --- gpfit/maths/initialize.py | 1 - gpfit/tests/run_tests.py | 4 ++-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/gpfit/maths/initialize.py b/gpfit/maths/initialize.py index 88d5bb3..b7623b0 100644 --- a/gpfit/maths/initialize.py +++ b/gpfit/maths/initialize.py @@ -36,7 +36,6 @@ def get_initial_parameters(x, y, K): rng = np.random.RandomState(33404) randinds = rng.permutation(npt)[0:K] # Choose K unique indices - print(randinds) # partition based on distances sqdists = zeros((npt, K)) diff --git a/gpfit/tests/run_tests.py b/gpfit/tests/run_tests.py index 6b00b35..a606a5a 100644 --- a/gpfit/tests/run_tests.py +++ b/gpfit/tests/run_tests.py @@ -21,8 +21,8 @@ from gpfit.tests import t_plot_fit TESTS += t_plot_fit.TESTS -from gpfit.tests import t_examples -TESTS += t_examples.TESTS +#from gpfit.tests import t_examples +#TESTS += t_examples.TESTS from gpfit.tests import t_fit TESTS += t_fit.TESTS From 424874951ae1c9222e4d8408d64498e48bd47959 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 14 Oct 2021 13:12:46 -0700 Subject: [PATCH 45/45] Comment out more tests (#33) --- gpfit/tests/run_tests.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/gpfit/tests/run_tests.py b/gpfit/tests/run_tests.py index a606a5a..9a81a03 100644 --- a/gpfit/tests/run_tests.py +++ b/gpfit/tests/run_tests.py @@ -6,11 +6,11 @@ from gpfit.tests import t_least_squares TESTS += t_least_squares.TESTS -from gpfit.tests import t_logsumexp -TESTS += t_logsumexp.TESTS +#from gpfit.tests import t_logsumexp +#TESTS += t_logsumexp.TESTS -from gpfit.tests import t_initialize -TESTS += t_initialize.TESTS +#from gpfit.tests import t_initialize +#TESTS += t_initialize.TESTS from gpfit.tests import t_evaluate TESTS += t_evaluate.TESTS @@ -18,8 +18,8 @@ from gpfit.tests import t_print_fit TESTS += t_print_fit.TESTS -from gpfit.tests import t_plot_fit -TESTS += t_plot_fit.TESTS +#from gpfit.tests import t_plot_fit +#TESTS += t_plot_fit.TESTS #from gpfit.tests import t_examples #TESTS += t_examples.TESTS

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+ )) def test_softmax_affine(self): np.random.seed(SEED) f = SoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-4) - self.assertEqual(f.print_fit(), [ - "w**3.44109 = 0.15339 * (u_1)**0.584655" - " + 0.431128 * (u_1)**-2.14831" + self.assertEqual(f.__repr__(), ( + "w**3.44109 = 0.15339 * (u_1)**0.584655\n" + " + 0.431128 * (u_1)**-2.14831\n" " + 0.415776 * (u_1)**-2.14794" - ]) + )) def test_implicit_softmax_affine(self): np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-5) - self.assertEqual(f.print_fit(), [ - "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859" - " + (0.992721/w**0.349639) * (u_1)**-0.201861" + self.assertEqual(f.__repr__(), ( + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859\n" + " + (0.992721/w**0.349639) * (u_1)**-0.201861\n" " + (0.961596/w**0.116677) * (u_1)**-0.0112199" - ]) + )) def test_incorrect_inputs(self): with self.assertRaises(ValueError): @@ -56,10 +56,10 @@ def test_save_and_load(self): np.random.seed(SEED) f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) f1.save("artifacts/fit.pkl") - strings1 = f1.print_fit() + strings1 = f1.__repr__() f2 = pickle.load(open("artifacts/fit.pkl", "rb")) self.assertTrue(f2.error["rms"] < 1e-5) - strings2 = f2.print_fit() + strings2 = f2.__repr__() self.assertEqual(strings1, strings2) def test_savetxt(self): @@ -69,11 +69,12 @@ def test_savetxt(self): with open("artifacts/fit.txt", "r") as f: fitstring = f.read() self.assertEqual(fitstring, ( - "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859" - " + (0.992721/w**0.349639) * (u_1)**-0.201861" + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859\n" + " + (0.992721/w**0.349639) * (u_1)**-0.201861\n" " + (0.961596/w**0.116677) * (u_1)**-0.0112199" )) + TESTS = [TestFit] if __name__ == '__main__': diff --git a/gpfit/tests/t_print_fit.py b/gpfit/tests/t_print_fit.py index d29a703..7aa6593 100644 --- a/gpfit/tests/t_print_fit.py +++ b/gpfit/tests/t_print_fit.py @@ -1,4 +1,4 @@ -"unit tests for gpfit.print_fit module" +"""unit tests for printing functionality""" import unittest import numpy as np from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine @@ -22,14 +22,14 @@ def test_ma(self): f.A = A f.B = B f.d = DIM - strings = f.print_fit() + strings = f.__repr__() self.assertEqual( strings, - [ - "w = 2.71828 * (u_1)**2 * (u_2)**3 * (u_3)**4", - "w = 148.413 * (u_1)**6 * (u_2)**7 * (u_3)**8", - "w = 8103.08 * (u_1)**10 * (u_2)**11 * (u_3)**12", - ], + ( + "w = 2.71828 * (u_1)**2 * (u_2)**3 * (u_3)**4\n" + "w = 148.413 * (u_1)**6 * (u_2)**7 * (u_3)**8\n" + "w = 8103.08 * (u_1)**10 * (u_2)**11 * (u_3)**12" + ), ) def test_sma(self): @@ -38,17 +38,17 @@ def test_sma(self): f.B = B f.alpha = ALPHA[0] f.d = DIM - strings = f.print_fit() + strings = f.__repr__() self.assertEqual( strings, - [ + ( "w**0.0769231 = 1.07996 * (u_1)**0.153846 " - "* (u_2)**0.230769 * (u_3)**0.307692" + "* (u_2)**0.230769 * (u_3)**0.307692\n" " + 1.46905 * (u_1)**0.461538 * " - "(u_2)**0.538462 * (u_3)**0.615385" + "(u_2)**0.538462 * (u_3)**0.615385\n" " + 1.99832 * (u_1)**0.769231 * " "(u_2)**0.846154 * (u_3)**0.923077" - ], + ), ) def test_isma(self): @@ -57,17 +57,17 @@ def test_isma(self): f.B = B f.alpha = ALPHA f.d = DIM - strings = f.print_fit() + strings = f.__repr__() self.assertEqual( strings, - [ + ( "1 = (1.07996/w**0.0769231) * (u_1)**0.153846 * " - "(u_2)**0.230769 * (u_3)**0.307692" + "(u_2)**0.230769 * (u_3)**0.307692\n" " + (1.42924/w**0.0714286) * (u_1)**0.428571 * " - "(u_2)**0.5 * (u_3)**0.571429" + "(u_2)**0.5 * (u_3)**0.571429\n" " + (1.82212/w**0.0666667) * (u_1)**0.666667 * " "(u_2)**0.733333 * (u_3)**0.8" - ], + ), ) From fa9cdda1feebb930c03f4667ad40b96a9c5b3a73 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Thu, 22 Jul 2021 12:25:48 -0700 Subject: [PATCH 09/45] constraint_set method of Fit creates FitConstraintSet (#100) --- gpfit/constraint_set.py | 31 +++++++------------- gpfit/fit.py | 7 +++-- gpfit/tests/artifacts/isma_test.png | Bin 33195 -> 33206 bytes gpfit/tests/artifacts/isma_test_surface.png | Bin 82850 -> 84162 bytes gpfit/tests/artifacts/ma_test.png | Bin 29469 -> 29563 bytes gpfit/tests/artifacts/ma_test_slices.png | Bin 38039 -> 38831 bytes gpfit/tests/artifacts/ma_test_surface.png | Bin 84666 -> 84808 bytes gpfit/tests/artifacts/sma_test.png | Bin 29864 -> 30034 bytes gpfit/tests/run_tests.py | 4 +-- gpfit/tests/t_constraint_set.py | 7 ++--- 10 files changed, 20 insertions(+), 29 deletions(-) diff --git a/gpfit/constraint_set.py b/gpfit/constraint_set.py index 932f90a..e6f06f8 100644 --- a/gpfit/constraint_set.py +++ b/gpfit/constraint_set.py @@ -25,9 +25,9 @@ class FitConstraintSet(ConstraintSet): """ - def __init__(self, fitdata, ivar=None, dvars=None, name="fit", err_margin=None): + def __init__(self, Fit, ivar=None, dvars=None, name="fit", err_margin=None): - self.fitdata = fitdata + fitdata = Fit.fitdata if ivar is None: with NamedVariables("fit"): @@ -36,16 +36,13 @@ def __init__(self, fitdata, ivar=None, dvars=None, name="fit", err_margin=None): self.dvars = dvars self.ivar = ivar - self.rms_err = fitdata["rms_err"] - self.max_err = fitdata["max_err"] + self.rms_err = Fit.error["rms"] + self.max_err = Fit.error["max"] monos = [ - fitdata["c%d" % k] - *NomialArray( - array(dvars).T - **array([fitdata["e%d%d" % (k, i)] for i in range(fitdata["d"])]) - ).prod(NomialArray(dvars).ndim - 1) - for k in range(fitdata["K"]) + fitdata["c%d" % k]*NomialArray(array(dvars).T**array( + [fitdata["e%d%d" % (k, i)] for i in range(fitdata["d"])] + )).prod(NomialArray(dvars).ndim - 1) for k in range(fitdata["K"]) ] with NamedVariables(name): @@ -55,15 +52,15 @@ def __init__(self, fitdata, ivar=None, dvars=None, name="fit", err_margin=None): elif err_margin == "rms": self.mfac.key.descr["value"] = 1 + self.rms_err - if fitdata["ftype"] == "ISMA": + if type(Fit).__name__ == "ImplictSoftmaxAffine": # constraint of the form 1 >= c1*u1^exp1*u2^exp2*w^(-alpha) + .... alpha = array([fitdata["a%d" % k] for k in range(fitdata["K"])]) lhs, rhs = 1, NomialArray(monos/(ivar/self.mfac)**alpha).sum(0) - elif fitdata["ftype"] == "SMA": + elif type(Fit).__name__ == "SoftmaxAffine": # constraint of the form w^alpha >= c1*u1^exp1 + c2*u2^exp2 +.... alpha = fitdata["a1"] lhs, rhs = (ivar/self.mfac)**alpha, NomialArray(monos).sum(0) - elif fitdata["ftype"] == "MA": + elif type(Fit).__name__ == "MaxAffine": # constraint of the form w >= c1*u1^exp1, w >= c2*u2^exp2, .... lhs, rhs = (ivar/self.mfac), NomialArray(monos).T @@ -91,14 +88,6 @@ def __init__(self, fitdata, ivar=None, dvars=None, name="fit", err_margin=None): ConstraintSet.__init__(self, [self.constraint]) - def get_dataframe(self): - "return a pandas DataFrame of fit parameters" - import pandas as pd - - df = pd.DataFrame(list(self.fitdata.values())).transpose() - df.columns = list(self.fitdata.keys()) - return df - def process_result(self, result): """ make sure fit result is within bounds of fitted data diff --git a/gpfit/fit.py b/gpfit/fit.py index 5de2605..712b648 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -7,6 +7,7 @@ from .least_squares import levenberg_marquardt from .initialize import get_initial_parameters from .logsumexp import lse_scaled, lse_implicit +from .constraint_set import FitConstraintSet # pylint: disable=too-many-locals @@ -33,8 +34,6 @@ def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): K: Number of terms - ftype: Function class ["MA", "SMA", "ISMA"] - alpha0: Initial guess for smoothing parameter alpha Returns @@ -158,6 +157,10 @@ def savetxt(self, filename="fit.txt"): with open(filename, "w") as f: f.write(self.__repr__()) + def constraint_set(self, **kwargs): + """Returns constraint set""" + return FitConstraintSet(self, **kwargs) + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/artifacts/isma_test.png b/gpfit/tests/artifacts/isma_test.png index 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a/gpfit/tests/plots/sma_test_2d.png b/gpfit/tests/plots/sma_test_surface.png similarity index 100% rename from gpfit/tests/plots/sma_test_2d.png rename to gpfit/tests/plots/sma_test_surface.png diff --git a/gpfit/tests/t_plot_fit.py b/gpfit/tests/t_plot_fit.py index 140a656..5d873d6 100644 --- a/gpfit/tests/t_plot_fit.py +++ b/gpfit/tests/t_plot_fit.py @@ -6,8 +6,8 @@ SEED = 33404 -class TestPlotFit1D(unittest.TestCase): - "Unit tests for plot_fit methods" +class TestPlot(unittest.TestCase): + "Unit tests for plot methods" np.random.seed(SEED) N = 51 @@ -19,22 +19,22 @@ class TestPlotFit1D(unittest.TestCase): def test_max_affine(self): f = MaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit() + fig, _ = f.plot() fig.savefig("plots/ma_test.png") def test_softmax_affine(self): f = SoftmaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit() + fig, _ = f.plot() fig.savefig("plots/sma_test.png") def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit() + fig, _ = f.plot() fig.savefig("plots/isma_test.png") -class TestPlotFit2D(unittest.TestCase): - "Unit tests for plot_fit methods" +class TestPlotSurface(unittest.TestCase): + "Unit tests for plot_surface methods" np.random.seed(SEED) Vdd = np.random.random_sample(100) + 1 @@ -47,23 +47,54 @@ class TestPlotFit2D(unittest.TestCase): def test_max_affine(self): f = MaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit_2d(azim=135) - fig.savefig("plots/ma_test_2d.png") + fig, _ = f.plot_surface(azim=135) + fig.savefig("plots/ma_test_surface.png") def test_softmax_affine(self): f = SoftmaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit_2d(azim=135) - fig.savefig("plots/sma_test_2d.png") + fig, _ = f.plot_surface(azim=135) + fig.savefig("plots/sma_test_surface.png") def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) - fig, _ = f.plot_fit_2d(azim=135) - fig.savefig("plots/isma_test_2d.png") + fig, _ = f.plot_surface(azim=135) + fig.savefig("plots/isma_test_surface.png") + + +class TestPlotSlices(unittest.TestCase): + "Unit tests for plot_slices method" + + np.random.seed(SEED) + Vdd = np.linspace(1, 2, 10) + Vth = np.linspace(0.2, 0.4, 5) + Vdd, Vth = np.meshgrid(Vdd, Vth) + Vdd, Vth = Vdd.flatten(), Vth.flatten() + P = Vdd**2 + 30*Vdd*np.exp(-(Vth - 0.06*Vdd)/0.039) + u = np.vstack((Vdd, Vth)) + x = np.log(u) + y = np.log(P) + K = 3 + + def test_max_affine(self): + f = MaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_slices() + fig.savefig("plots/ma_test_slices.png") + + def test_softmax_affine(self): + f = SoftmaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_slices() + fig.savefig("plots/sma_test_slices.png") + + def test_implicit_softmax_affine(self): + f = ImplicitSoftmaxAffine(self.x, self.y, self.K) + fig, _ = f.plot_slices() + fig.savefig("plots/isma_test_slices.png") TESTS = [ - TestPlotFit1D, - TestPlotFit2D, + TestPlot, + TestPlotSurface, + TestPlotSlices, ] if __name__ == '__main__': From 5a69fb757c81f7f999d3e20d50339e1cd7f885fd Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 20 Jul 2021 16:39:41 -0700 Subject: [PATCH 06/45] Fit.save() method (#100) Also closes #44 --- gpfit/fit.py | 5 +++++ gpfit/tests/artifacts/fit.pkl | Bin 0 -> 8941 bytes .../tests/{plots => artifacts}/isma_test.png | Bin .../{plots => artifacts}/isma_test_slices.png | Bin .../isma_test_surface.png | Bin gpfit/tests/{plots => artifacts}/ma_test.png | Bin .../{plots => artifacts}/ma_test_slices.png | Bin .../{plots => artifacts}/ma_test_surface.png | Bin gpfit/tests/{plots => artifacts}/sma_test.png | Bin .../{plots => artifacts}/sma_test_slices.png | Bin .../{plots => artifacts}/sma_test_surface.png | Bin gpfit/tests/t_fit.py | 16 ++++++++++++++-- gpfit/tests/t_plot_fit.py | 18 +++++++++--------- 13 files changed, 28 insertions(+), 11 deletions(-) create mode 100644 gpfit/tests/artifacts/fit.pkl rename gpfit/tests/{plots => artifacts}/isma_test.png (100%) rename gpfit/tests/{plots => artifacts}/isma_test_slices.png (100%) rename gpfit/tests/{plots => artifacts}/isma_test_surface.png (100%) rename gpfit/tests/{plots => artifacts}/ma_test.png (100%) rename gpfit/tests/{plots => artifacts}/ma_test_slices.png (100%) rename gpfit/tests/{plots => artifacts}/ma_test_surface.png (100%) rename gpfit/tests/{plots => artifacts}/sma_test.png (100%) rename gpfit/tests/{plots => artifacts}/sma_test_slices.png (100%) rename gpfit/tests/{plots => artifacts}/sma_test_surface.png (100%) diff --git a/gpfit/fit.py b/gpfit/fit.py index 2cbf43c..4660093 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -1,4 +1,5 @@ """Implements the Fit class""" +import pickle import numpy as np import matplotlib.pyplot as plt from matplotlib import cm @@ -148,6 +149,10 @@ def plot_slices(self): ax.legend(title="u2") return fig, ax + def save(self, filename="fit.pkl"): + """Save Fit object to pickle""" + pickle.dump(self, open(filename, "wb")) + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl new file mode 100644 index 0000000000000000000000000000000000000000..3b56d4141fc8408d7bdc1cffb22aed3b97939f2c GIT binary patch literal 8941 zcmaJ{2UJr_w-yiuk*g?pE!agw0a5YV*)$bILBx)N2q*|5)s9_2MG--PYXL+=L8U5E zH@%mfNGBnoB!Pqy6no+2&OQEbz4hLDS&Qt&nVCH^dw=`;=A4`hBky+189_dQ@`v3I zIeTkM{z3y)Opm&|I@>#YTOB*(ebnxx!J$LWZjPZLp&A!MeM1)n%ARtt^R|=pbMras zeoEW^n5U!mQ6E=tXFE?%yHlZoV{JVh?T@*6d3*ZUdrO7|%94(ufur3V{_PSHYBu6( zsFBpcQ2)?vp$p8UwtSSj8tNn;DC^*T%Ke|I0;LbF480ccZ?jCG)Y?#UbMsBZk`MVZ z8{r*#@S5SXasMv=pYLDmb#EW|X^9@wbuH_@*o$%v4ZHHIJ{XfTthLUH@8BejZPk%uLb2_% z4%=zoUHtf?tiEC0J$!7YpwqK63|p4TIz}D~$CDAAeP8?|@P_pVqmPk)qhQ5jZbZNL*DX}pJDhWg_19k z&v4~P=h9U5=eWZzdd2F*=a^P~u>Qth@%U!u3EO8m@i=;1QD~5H0{X|B=^9ifU?EfU zXSU@FYChUBPC5$IYfzGe6xlrx==l)k{e_v;4p?4y- z4P@5N|C)$io_$Uq^^$NN!+!soi%D3`byagLOu`F&>!UqolX0ilx@7x}$=G=yb@|F` z$vA%NlyTyUWK1u7KmEqo6nuWL-ca5=1@)IX+Z+i>L8&Gu%U6sP^sR{gQKyuOMPWnw 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similarity index 100% rename from gpfit/tests/plots/isma_test_slices.png rename to gpfit/tests/artifacts/isma_test_slices.png diff --git a/gpfit/tests/plots/isma_test_surface.png b/gpfit/tests/artifacts/isma_test_surface.png similarity index 100% rename from gpfit/tests/plots/isma_test_surface.png rename to gpfit/tests/artifacts/isma_test_surface.png diff --git a/gpfit/tests/plots/ma_test.png b/gpfit/tests/artifacts/ma_test.png similarity index 100% rename from gpfit/tests/plots/ma_test.png rename to gpfit/tests/artifacts/ma_test.png diff --git a/gpfit/tests/plots/ma_test_slices.png b/gpfit/tests/artifacts/ma_test_slices.png similarity index 100% rename from gpfit/tests/plots/ma_test_slices.png rename to gpfit/tests/artifacts/ma_test_slices.png diff --git a/gpfit/tests/plots/ma_test_surface.png b/gpfit/tests/artifacts/ma_test_surface.png similarity index 100% rename from gpfit/tests/plots/ma_test_surface.png rename to gpfit/tests/artifacts/ma_test_surface.png diff --git a/gpfit/tests/plots/sma_test.png b/gpfit/tests/artifacts/sma_test.png similarity index 100% rename from gpfit/tests/plots/sma_test.png rename to gpfit/tests/artifacts/sma_test.png diff --git a/gpfit/tests/plots/sma_test_slices.png b/gpfit/tests/artifacts/sma_test_slices.png similarity index 100% rename from gpfit/tests/plots/sma_test_slices.png rename to gpfit/tests/artifacts/sma_test_slices.png diff --git a/gpfit/tests/plots/sma_test_surface.png b/gpfit/tests/artifacts/sma_test_surface.png similarity index 100% rename from gpfit/tests/plots/sma_test_surface.png rename to gpfit/tests/artifacts/sma_test_surface.png diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 4f37ef6..2c2781d 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -1,5 +1,6 @@ """unit tests for fit module""" import unittest +import pickle import numpy as np from numpy import logspace, log10, log, vstack from gpfit.fit import MaxAffine, SoftmaxAffine, ImplicitSoftmaxAffine @@ -26,13 +27,24 @@ def test_softmax_affine(self): self.assertTrue(f.error["rms"] < 1e-4) def test_implicit_softmax_affine(self): + np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-5) + strings = f.print_fit() def test_incorrect_inputs(self): with self.assertRaises(ValueError): - f = MaxAffine(self.x, vstack((self.y, self.y)), self.K) - + MaxAffine(self.x, vstack((self.y, self.y)), self.K) + + def test_save_and_load(self): + np.random.seed(SEED) + f1 = ImplicitSoftmaxAffine(self.x, self.y, self.K) + f1.save("artifacts/fit.pkl") + strings1 = f1.print_fit() + f2 = pickle.load(open("artifacts/fit.pkl", "rb")) + self.assertTrue(f2.error["rms"] < 1e-5) + strings2 = f2.print_fit() + self.assertEqual(strings1, strings2) TESTS = [TestFit] diff --git a/gpfit/tests/t_plot_fit.py b/gpfit/tests/t_plot_fit.py index 5d873d6..4cfdb52 100644 --- a/gpfit/tests/t_plot_fit.py +++ b/gpfit/tests/t_plot_fit.py @@ -20,17 +20,17 @@ class TestPlot(unittest.TestCase): def test_max_affine(self): f = MaxAffine(self.x, self.y, self.K) fig, _ = f.plot() - fig.savefig("plots/ma_test.png") + fig.savefig("artifacts/ma_test.png") def test_softmax_affine(self): f = SoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot() - fig.savefig("plots/sma_test.png") + fig.savefig("artifacts/sma_test.png") def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot() - fig.savefig("plots/isma_test.png") + fig.savefig("artifacts/isma_test.png") class TestPlotSurface(unittest.TestCase): @@ -48,17 +48,17 @@ class TestPlotSurface(unittest.TestCase): def test_max_affine(self): f = MaxAffine(self.x, self.y, self.K) fig, _ = f.plot_surface(azim=135) - fig.savefig("plots/ma_test_surface.png") + fig.savefig("artifacts/ma_test_surface.png") def test_softmax_affine(self): f = SoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot_surface(azim=135) - fig.savefig("plots/sma_test_surface.png") + fig.savefig("artifacts/sma_test_surface.png") def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot_surface(azim=135) - fig.savefig("plots/isma_test_surface.png") + fig.savefig("artifacts/isma_test_surface.png") class TestPlotSlices(unittest.TestCase): @@ -78,17 +78,17 @@ class TestPlotSlices(unittest.TestCase): def test_max_affine(self): f = MaxAffine(self.x, self.y, self.K) fig, _ = f.plot_slices() - fig.savefig("plots/ma_test_slices.png") + fig.savefig("artifacts/ma_test_slices.png") def test_softmax_affine(self): f = SoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot_slices() - fig.savefig("plots/sma_test_slices.png") + fig.savefig("artifacts/sma_test_slices.png") def test_implicit_softmax_affine(self): f = ImplicitSoftmaxAffine(self.x, self.y, self.K) fig, _ = f.plot_slices() - fig.savefig("plots/isma_test_slices.png") + fig.savefig("artifacts/isma_test_slices.png") TESTS = [ From 172c20ede196f799cc6e51b8092d32aa6f0c0102 Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 20 Jul 2021 18:09:36 -0700 Subject: [PATCH 07/45] savetxt method (#100) * Added better (and deterministic) unit tests to t_fit --- gpfit/fit.py | 5 +++++ gpfit/tests/artifacts/fit.pkl | Bin 8941 -> 2539 bytes gpfit/tests/artifacts/fit.txt | 1 + gpfit/tests/t_fit.py | 32 ++++++++++++++++++++++++++++++-- 4 files changed, 36 insertions(+), 2 deletions(-) create mode 100644 gpfit/tests/artifacts/fit.txt diff --git a/gpfit/fit.py b/gpfit/fit.py index 4660093..67ac733 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -153,6 +153,11 @@ def save(self, filename="fit.pkl"): """Save Fit object to pickle""" pickle.dump(self, open(filename, "wb")) + def savetxt(self, filename="fit.txt"): + """Save Fit object to pickle""" + with open(filename, "w") as f: + f.write("".join(self.print_fit())) + class MaxAffine(Fit): """Max Affine fit class""" diff --git a/gpfit/tests/artifacts/fit.pkl b/gpfit/tests/artifacts/fit.pkl index 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0000000..853986f --- /dev/null +++ b/gpfit/tests/artifacts/fit.txt @@ -0,0 +1 @@ +1 = (0.947385/w**0.0920329) * (u_1)**0.0176859 + (0.992721/w**0.349639) * (u_1)**-0.201861 + (0.961596/w**0.116677) * (u_1)**-0.0112199 \ No newline at end of file diff --git a/gpfit/tests/t_fit.py b/gpfit/tests/t_fit.py index 2c2781d..24cf45c 100644 --- a/gpfit/tests/t_fit.py +++ b/gpfit/tests/t_fit.py @@ -12,25 +12,41 @@ class TestFit(unittest.TestCase): """Test fit class""" np.random.seed(SEED) - u = logspace(0, log10(3), 501) + u = logspace(0, log10(3), 101) w = (u**2 + 3)/(u + 1)**2 x = log(u) y = log(w) K = 3 def test_max_affine(self): + np.random.seed(SEED) f = MaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-2) + self.assertEqual(f.print_fit(), [ + "w = 0.807159 * (u_1)**-0.0703921", + "w = 0.995106 * (u_1)**-0.431386", + "w = 0.92288 * (u_1)**-0.247099", + ]) def test_softmax_affine(self): + np.random.seed(SEED) f = SoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-4) + self.assertEqual(f.print_fit(), [ + "w**3.44109 = 0.15339 * (u_1)**0.584655" + " + 0.431128 * (u_1)**-2.14831" + " + 0.415776 * (u_1)**-2.14794" + ]) def test_implicit_softmax_affine(self): np.random.seed(SEED) f = ImplicitSoftmaxAffine(self.x, self.y, self.K) self.assertTrue(f.error["rms"] < 1e-5) - strings = f.print_fit() + self.assertEqual(f.print_fit(), [ + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859" + " + (0.992721/w**0.349639) * (u_1)**-0.201861" + " + (0.961596/w**0.116677) * (u_1)**-0.0112199" + ]) def test_incorrect_inputs(self): with self.assertRaises(ValueError): @@ -46,6 +62,18 @@ def test_save_and_load(self): strings2 = f2.print_fit() self.assertEqual(strings1, strings2) + def test_savetxt(self): + np.random.seed(SEED) + f = ImplicitSoftmaxAffine(self.x, self.y, self.K) + f.savetxt("artifacts/fit.txt") + with open("artifacts/fit.txt", "r") as f: + fitstring = f.read() + self.assertEqual(fitstring, ( + "1 = (0.947385/w**0.0920329) * (u_1)**0.0176859" + " + (0.992721/w**0.349639) * (u_1)**-0.201861" + " + (0.961596/w**0.116677) * (u_1)**-0.0112199" + )) + TESTS = [TestFit] if __name__ == '__main__': From 1c71e1cbfd51a7b72f7f135b3653b1746ace695c Mon Sep 17 00:00:00 2001 From: Philippe Kirschen Date: Tue, 20 Jul 2021 18:58:44 -0700 Subject: [PATCH 08/45] __repr__ method to replace print_fit (#100) * print(fit) instead of fit.print_fit() * No longer prints the fit automatically (partially addresses #8) --- docs/source/examples/hoburgabbeel_ex6_1.py | 3 ++ .../examples/hoburgabbeel_ex6_1_output.txt | 3 -- docs/source/examples/hoburgabbeel_ex6_3.py | 3 ++ .../examples/hoburgabbeel_ex6_3_output.txt | 3 -- gpfit/fit.py | 31 +++++++--------- gpfit/tests/artifacts/fit.txt | 4 +- gpfit/tests/artifacts/isma_test.png | Bin 29422 -> 33195 bytes gpfit/tests/artifacts/isma_test_surface.png | Bin 80434 -> 82850 bytes gpfit/tests/artifacts/ma_test.png | Bin 25726 -> 29469 bytes gpfit/tests/artifacts/ma_test_slices.png | Bin 37945 -> 38039 bytes gpfit/tests/artifacts/sma_test.png | Bin 28394 -> 29864 bytes gpfit/tests/t_fit.py | 35 +++++++++--------- gpfit/tests/t_print_fit.py | 34 ++++++++--------- 13 files changed, 57 insertions(+), 59 deletions(-) diff --git a/docs/source/examples/hoburgabbeel_ex6_1.py b/docs/source/examples/hoburgabbeel_ex6_1.py index 5481bc4..1ced910 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1.py +++ b/docs/source/examples/hoburgabbeel_ex6_1.py @@ -14,6 +14,9 @@ fsma = SoftmaxAffine(x, y, K) fisma = ImplicitSoftmaxAffine(x, y, K) +print(fma) +print(fsma) +print(fisma) print("MA RMS Error: %.5g" % fma.error["rms"]) print("SMA RMS Error: %.5g" % fsma.error["rms"]) print("ISMA RMS Error: %.5g" % fisma.error["rms"]) diff --git a/docs/source/examples/hoburgabbeel_ex6_1_output.txt b/docs/source/examples/hoburgabbeel_ex6_1_output.txt index 8e975aa..83aaa45 100644 --- a/docs/source/examples/hoburgabbeel_ex6_1_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_1_output.txt @@ -1,15 +1,12 @@ w = 0.807159 * (u_1)**-0.0703921 w = 0.995106 * (u_1)**-0.431386 w = 0.92288 * (u_1)**-0.247099 -0.0023555737634863715 w**3.4411 = 0.422736 * (u_1)**-2.14843 + 0.424169 * (u_1)**-2.14784 + 0.15339 * (u_1)**0.584654 -2.3855743159468677e-05 1 = (0.992648/w**0.35353) * (u_1)**-0.204093 + (0.947302/w**0.0920266) * (u_1)**0.017725 + (0.961409/w**0.11673) * (u_1)**-0.011164 -8.075689057347727e-07 MA RMS Error: 0.0023556 SMA RMS Error: 2.3856e-05 ISMA RMS Error: 8.0757e-07 diff --git a/docs/source/examples/hoburgabbeel_ex6_3.py b/docs/source/examples/hoburgabbeel_ex6_3.py index 2ac2cdd..d2eac78 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3.py +++ b/docs/source/examples/hoburgabbeel_ex6_3.py @@ -17,6 +17,9 @@ fsma = SoftmaxAffine(x, y, K) fisma = ImplicitSoftmaxAffine(x, y, K) +print(fma) +print(fsma) +print(fisma) print("MA RMS Error: %.5g" % fma.error["rms"]) print("SMA RMS Error: %.5g" % fsma.error["rms"]) print("ISMA RMS Error: %.5g" % fisma.error["rms"]) diff --git a/docs/source/examples/hoburgabbeel_ex6_3_output.txt b/docs/source/examples/hoburgabbeel_ex6_3_output.txt index 826a6af..bec5321 100644 --- a/docs/source/examples/hoburgabbeel_ex6_3_output.txt +++ b/docs/source/examples/hoburgabbeel_ex6_3_output.txt @@ -2,17 +2,14 @@ w = 0.0877784 * (u_1)**2.3499 * (u_2)**-1.86683 w = 0.824389 * (u_1)**2.02321 * (u_2)**-0.203195 w = 0.0175649 * (u_1)**2.84017 * (u_2)**-2.78935 w = 0.38541 * (u_1)**2.13119 * (u_2)**-0.826143 -0.0073819516227354425 w**2.22467 = 5.42035e-05 * (u_1)**5.24451 * (u_2)**-6.68343 + 3.61239e-08 * (u_1)**9.613 * (u_2)**-9.4893 + 1.07674e-05 * (u_1)**0.538839 * (u_2)**-6.12098 + 1.0777 * (u_1)**4.43371 * (u_2)**0.0978425 -0.0001626098715246457 1 = (0.309986/w**0.309511) * (u_1)**0.6327 * (u_2)**-0.813931 + (0.012176/w**0.67353) * (u_1)**2.61311 * (u_2)**-2.59033 + (0.889774/w**0.242028) * (u_1)**0.485343 * (u_2)**-0.0942005 + (1.00588/w**0.0753052) * (u_1)**0.149934 * (u_2)**0.0116639 -0.00017923470551750996 MA RMS Error: 0.007382 SMA RMS Error: 0.00016261 ISMA RMS Error: 0.00017923 diff --git a/gpfit/fit.py b/gpfit/fit.py index 67ac733..5de2605 100644 --- a/gpfit/fit.py +++ b/gpfit/fit.py @@ -16,7 +16,7 @@ # pylint: disable=too-many-instance-attributes class Fit: """The base class for GPfit""" - def __init__(self, xdata, ydata, K, alpha0=10, verbosity=1): + def __init__(self, xdata, ydata, K, alpha0=10, verbosity=0): """ Initialize Fit object @@ -90,10 +90,10 @@ def plot(self): ww = np.exp(yy) ax.plot(uu, ww) - stringlist = self.print_fit() + stringlist = self.__repr__() ax.set_xlabel("u") ax.set_ylabel("w") - ax.legend(["Data"] + stringlist, loc="best") + ax.legend(["Data"] + [stringlist], loc="best") return f, ax def plot_surface(self, azim=0): @@ -156,7 +156,7 @@ def save(self, filename="fit.pkl"): def savetxt(self, filename="fit.txt"): """Save Fit object to pickle""" with open(filename, "w") as f: - f.write("".join(self.print_fit())) + f.write(self.__repr__()) class MaxAffine(Fit): @@ -218,8 +218,8 @@ def evaluate(x, params): return y, dydba - def print_fit(self): - """Print fit""" + def __repr__(self): + """String representation of fit""" K, d = self.K, self.d A, B = self.A, self.B string_list = [None]*K @@ -228,8 +228,7 @@ def print_fit(self): for i in range(d): print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, A[d*k + i]) string_list[k] = print_string - print(print_string) - return string_list + return "\n".join(string_list) class SoftmaxAffine(Fit): @@ -297,22 +296,20 @@ def evaluate(x, params): return y, dydp - def print_fit(self): - """Print fit""" + def __repr__(self): + """String representation of fit""" K, d = self.K, self.d A, B, alpha = self.A, self.B, self.alpha string_list = [None]*K print_string = "w**{0:.6g} = ".format(alpha) for k in range(K): if k > 0: - print(print_string) print_string = " + " print_string += "{0:.6g}".format(np.exp(alpha*B[k])) for i in range(d): print_string += " * (u_{0:d})**{1:.6g}".format(i + 1, alpha*A[d*k + i]) string_list[k] = print_string - print(print_string) - return ["".join(string_list)] + return "\n".join(string_list) class ImplicitSoftmaxAffine(Fit): @@ -378,15 +375,14 @@ def evaluate(x, params): return y, dydp - def print_fit(self): - """Print fit""" + def __repr__(self): + """String representation of fit""" K, d = self.K, self.d A, B, alpha = self.A, self.B, self.alpha string_list = [None]*K print_string = "1 = " for k in range(K): if k > 0: - print(print_string) print_string = " + " print_string += "({0:.6g}/w**{1:.6g})".format(np.exp(alpha[k]*B[k]), alpha[k]) for i in range(d): @@ -394,5 +390,4 @@ def print_fit(self): i + 1, alpha[k]*A[d*k + i] ) string_list[k] = print_string - print(print_string) - return ["".join(string_list)] + return "\n".join(string_list) diff --git a/gpfit/tests/artifacts/fit.txt b/gpfit/tests/artifacts/fit.txt index 853986f..d483235 100644 --- a/gpfit/tests/artifacts/fit.txt +++ 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