""" Sequential minimal optimization (SMO) for support vector machines (SVM) Sequential minimal optimization (SMO) is an algorithm for solving the quadratic programming (QP) problem that arises during the training of SVMs. It was invented by John Platt in 1998. Input: 0: type: numpy.ndarray. 1: first column of ndarray must be tags of samples, must be 1 or -1. 2: rows of ndarray represent samples. Usage: Command: python3 sequential_minimum_optimization.py Code: from sequential_minimum_optimization import SmoSVM, Kernel kernel = Kernel(kernel='poly', degree=3., coef0=1., gamma=0.5) init_alphas = np.zeros(train.shape[0]) SVM = SmoSVM(train=train, alpha_list=init_alphas, kernel_func=kernel, cost=0.4, b=0.0, tolerance=0.001) SVM.fit() predict = SVM.predict(test_samples) Reference: https://www.microsoft.com/en-us/research/wp-content/uploads/2016/02/smo-book.pdf https://www.microsoft.com/en-us/research/wp-content/uploads/2016/02/tr-98-14.pdf """ import os import sys import urllib.request import numpy as np import pandas as pd from matplotlib import pyplot as plt from sklearn.datasets import make_blobs, make_circles from sklearn.preprocessing import StandardScaler CANCER_DATASET_URL = ( "https://archive.ics.uci.edu/ml/machine-learning-databases/" "breast-cancer-wisconsin/wdbc.data" ) class SmoSVM: def __init__( self, train, kernel_func, alpha_list=None, cost=0.4, b=0.0, tolerance=0.001, auto_norm=True, ): self._init = True self._auto_norm = auto_norm self._c = np.float64(cost) self._b = np.float64(b) self._tol = np.float64(tolerance) if tolerance > 0.0001 else np.float64(0.001) self.tags = train[:, 0] self.samples = self._norm(train[:, 1:]) if self._auto_norm else train[:, 1:] self.alphas = alpha_list if alpha_list is not None else np.zeros(train.shape[0]) self.Kernel = kernel_func self._eps = 0.001 self._all_samples = list(range(self.length)) self._K_matrix = self._calculate_k_matrix() self._error = np.zeros(self.length) self._unbound = [] self.choose_alpha = self._choose_alphas() # Calculate alphas using SMO algorithm def fit(self): k = self._k state = None while True: # 1: Find alpha1, alpha2 try: i1, i2 = self.choose_alpha.send(state) state = None except StopIteration: print("Optimization done!\nEvery sample satisfy the KKT condition!") break # 2: calculate new alpha2 and new alpha1 y1, y2 = self.tags[i1], self.tags[i2] a1, a2 = self.alphas[i1].copy(), self.alphas[i2].copy() e1, e2 = self._e(i1), self._e(i2) args = (i1, i2, a1, a2, e1, e2, y1, y2) a1_new, a2_new = self._get_new_alpha(*args) if not a1_new and not a2_new: state = False continue self.alphas[i1], self.alphas[i2] = a1_new, a2_new # 3: update threshold(b) b1_new = np.float64( -e1 - y1 * k(i1, i1) * (a1_new - a1) - y2 * k(i2, i1) * (a2_new - a2) + self._b ) b2_new = np.float64( -e2 - y2 * k(i2, i2) * (a2_new - a2) - y1 * k(i1, i2) * (a1_new - a1) + self._b ) if 0.0 < a1_new < self._c: b = b1_new if 0.0 < a2_new < self._c: b = b2_new if not (np.float64(0) < a2_new < self._c) and not ( np.float64(0) < a1_new < self._c ): b = (b1_new + b2_new) / 2.0 b_old = self._b self._b = b # 4: update error, here we only calculate the error for non-bound samples self._unbound = [i for i in self._all_samples if self._is_unbound(i)] for s in self.unbound: if s in (i1, i2): continue self._error[s] += ( y1 * (a1_new - a1) * k(i1, s) + y2 * (a2_new - a2) * k(i2, s) + (self._b - b_old) ) # if i1 or i2 is non-bound, update their error value to zero if self._is_unbound(i1): self._error[i1] = 0 if self._is_unbound(i2): self._error[i2] = 0 # Predict test samples def predict(self, test_samples, classify=True): if test_samples.shape[1] > self.samples.shape[1]: raise ValueError( "Test samples' feature length does not equal to that of train samples" ) if self._auto_norm: test_samples = self._norm(test_samples) results = [] for test_sample in test_samples: result = self._predict(test_sample) if classify: results.append(1 if result > 0 else -1) else: results.append(result) return np.array(results) # Check if alpha violates the KKT condition def _check_obey_kkt(self, index): alphas = self.alphas tol = self._tol r = self._e(index) * self.tags[index] c = self._c return (r < -tol and alphas[index] < c) or (r > tol and alphas[index] > 0.0) # Get value calculated from kernel function def _k(self, i1, i2): # for test samples, use kernel function if isinstance(i2, np.ndarray): return self.Kernel(self.samples[i1], i2) # for training samples, kernel values have been saved in matrix else: return self._K_matrix[i1, i2] # Get error for sample def _e(self, index): """ Two cases: 1: Sample[index] is non-bound, fetch error from list: _error 2: sample[index] is bound, use predicted value minus true value: g(xi) - yi """ # get from error data if self._is_unbound(index): return self._error[index] # get by g(xi) - yi else: gx = np.dot(self.alphas * self.tags, self._K_matrix[:, index]) + self._b yi = self.tags[index] return gx - yi # Calculate kernel matrix of all possible i1, i2, saving time def _calculate_k_matrix(self): k_matrix = np.zeros([self.length, self.length]) for i in self._all_samples: for j in self._all_samples: k_matrix[i, j] = np.float64( self.Kernel(self.samples[i, :], self.samples[j, :]) ) return k_matrix # Predict tag for test sample def _predict(self, sample): k = self._k predicted_value = ( np.sum( [ self.alphas[i1] * self.tags[i1] * k(i1, sample) for i1 in self._all_samples ] ) + self._b ) return predicted_value # Choose alpha1 and alpha2 def _choose_alphas(self): loci = yield from self._choose_a1() if not loci: return None return loci def _choose_a1(self): """ Choose first alpha Steps: 1: First loop over all samples 2: Second loop over all non-bound samples until no non-bound samples violate the KKT condition. 3: Repeat these two processes until no samples violate the KKT condition after the first loop. """ while True: all_not_obey = True # all sample print("Scanning all samples!") for i1 in [i for i in self._all_samples if self._check_obey_kkt(i)]: all_not_obey = False yield from self._choose_a2(i1) # non-bound sample print("Scanning non-bound samples!") while True: not_obey = True for i1 in [ i for i in self._all_samples if self._check_obey_kkt(i) and self._is_unbound(i) ]: not_obey = False yield from self._choose_a2(i1) if not_obey: print("All non-bound samples satisfy the KKT condition!") break if all_not_obey: print("All samples satisfy the KKT condition!") break return False def _choose_a2(self, i1): """ Choose the second alpha using a heuristic algorithm Steps: 1: Choose alpha2 that maximizes the step size (|E1 - E2|). 2: Start in a random point, loop over all non-bound samples till alpha1 and alpha2 are optimized. 3: Start in a random point, loop over all samples till alpha1 and alpha2 are optimized. """ self._unbound = [i for i in self._all_samples if self._is_unbound(i)] if len(self.unbound) > 0: tmp_error = self._error.copy().tolist() tmp_error_dict = { index: value for index, value in enumerate(tmp_error) if self._is_unbound(index) } if self._e(i1) >= 0: i2 = min(tmp_error_dict, key=lambda index: tmp_error_dict[index]) else: i2 = max(tmp_error_dict, key=lambda index: tmp_error_dict[index]) cmd = yield i1, i2 if cmd is None: return rng = np.random.default_rng() for i2 in np.roll(self.unbound, rng.choice(self.length)): cmd = yield i1, i2 if cmd is None: return for i2 in np.roll(self._all_samples, rng.choice(self.length)): cmd = yield i1, i2 if cmd is None: return # Get the new alpha2 and new alpha1 def _get_new_alpha(self, i1, i2, a1, a2, e1, e2, y1, y2): k = self._k if i1 == i2: return None, None # calculate L and H which bound the new alpha2 s = y1 * y2 if s == -1: l, h = max(0.0, a2 - a1), min(self._c, self._c + a2 - a1) # noqa: E741 else: l, h = max(0.0, a2 + a1 - self._c), min(self._c, a2 + a1) # noqa: E741 if l == h: return None, None # calculate eta k11 = k(i1, i1) k22 = k(i2, i2) k12 = k(i1, i2) # select the new alpha2 which could achieve the minimal objectives if (eta := k11 + k22 - 2.0 * k12) > 0.0: a2_new_unc = a2 + (y2 * (e1 - e2)) / eta # a2_new has a boundary if a2_new_unc >= h: a2_new = h elif a2_new_unc <= l: a2_new = l else: a2_new = a2_new_unc else: b = self._b l1 = a1 + s * (a2 - l) h1 = a1 + s * (a2 - h) # Method 1 f1 = y1 * (e1 + b) - a1 * k(i1, i1) - s * a2 * k(i1, i2) f2 = y2 * (e2 + b) - a2 * k(i2, i2) - s * a1 * k(i1, i2) ol = ( l1 * f1 + l * f2 + 1 / 2 * l1**2 * k(i1, i1) + 1 / 2 * l**2 * k(i2, i2) + s * l * l1 * k(i1, i2) ) oh = ( h1 * f1 + h * f2 + 1 / 2 * h1**2 * k(i1, i1) + 1 / 2 * h**2 * k(i2, i2) + s * h * h1 * k(i1, i2) ) """ Method 2: Use objective function to check which alpha2_new could achieve the minimal objectives """ if ol < (oh - self._eps): a2_new = l elif ol > oh + self._eps: a2_new = h else: a2_new = a2 # a1_new has a boundary too a1_new = a1 + s * (a2 - a2_new) if a1_new < 0: a2_new += s * a1_new a1_new = 0 if a1_new > self._c: a2_new += s * (a1_new - self._c) a1_new = self._c return a1_new, a2_new # Normalize data using min-max method def _norm(self, data): if self._init: self._min = np.min(data, axis=0) self._max = np.max(data, axis=0) self._init = False return (data - self._min) / (self._max - self._min) else: return (data - self._min) / (self._max - self._min) def _is_unbound(self, index): return bool(0.0 < self.alphas[index] < self._c) def _is_support(self, index): return bool(self.alphas[index] > 0) @property def unbound(self): return self._unbound @property def support(self): return [i for i in range(self.length) if self._is_support(i)] @property def length(self): return self.samples.shape[0] class Kernel: def __init__(self, kernel, degree=1.0, coef0=0.0, gamma=1.0): self.degree = np.float64(degree) self.coef0 = np.float64(coef0) self.gamma = np.float64(gamma) self._kernel_name = kernel self._kernel = self._get_kernel(kernel_name=kernel) self._check() def _polynomial(self, v1, v2): return (self.gamma * np.inner(v1, v2) + self.coef0) ** self.degree def _linear(self, v1, v2): return np.inner(v1, v2) + self.coef0 def _rbf(self, v1, v2): return np.exp(-1 * (self.gamma * np.linalg.norm(v1 - v2) ** 2)) def _check(self): if self._kernel == self._rbf and self.gamma < 0: raise ValueError("gamma value must be non-negative") def _get_kernel(self, kernel_name): maps = {"linear": self._linear, "poly": self._polynomial, "rbf": self._rbf} return maps[kernel_name] def __call__(self, v1, v2): return self._kernel(v1, v2) def __repr__(self): return self._kernel_name def count_time(func): def call_func(*args, **kwargs): import time start_time = time.time() func(*args, **kwargs) end_time = time.time() print(f"SMO algorithm cost {end_time - start_time} seconds") return call_func @count_time def test_cancer_data(): print("Hello!\nStart test SVM using the SMO algorithm!") # 0: download dataset and load into pandas' dataframe if not os.path.exists(r"cancer_data.csv"): request = urllib.request.Request( # noqa: S310 CANCER_DATASET_URL, headers={"User-Agent": "Mozilla/4.0 (compatible; MSIE 5.5; Windows NT)"}, ) response = urllib.request.urlopen(request) # noqa: S310 content = response.read().decode("utf-8") with open(r"cancer_data.csv", "w") as f: f.write(content) data = pd.read_csv( "cancer_data.csv", header=None, dtype={0: str}, # Assuming the first column contains string data ) # 1: pre-processing data del data[data.columns.tolist()[0]] data = data.dropna(axis=0) data = data.replace({"M": np.float64(1), "B": np.float64(-1)}) samples = np.array(data)[:, :] # 2: dividing data into train_data data and test_data data train_data, test_data = samples[:328, :], samples[328:, :] test_tags, test_samples = test_data[:, 0], test_data[:, 1:] # 3: choose kernel function, and set initial alphas to zero (optional) my_kernel = Kernel(kernel="rbf", degree=5, coef0=1, gamma=0.5) al = np.zeros(train_data.shape[0]) # 4: calculating best alphas using SMO algorithm and predict test_data samples mysvm = SmoSVM( train=train_data, kernel_func=my_kernel, alpha_list=al, cost=0.4, b=0.0, tolerance=0.001, ) mysvm.fit() predict = mysvm.predict(test_samples) # 5: check accuracy score = 0 test_num = test_tags.shape[0] for i in range(test_tags.shape[0]): if test_tags[i] == predict[i]: score += 1 print(f"\nAll: {test_num}\nCorrect: {score}\nIncorrect: {test_num - score}") print(f"Rough Accuracy: {score / test_tags.shape[0]}") def test_demonstration(): # change stdout print("\nStarting plot, please wait!") sys.stdout = open(os.devnull, "w") ax1 = plt.subplot2grid((2, 2), (0, 0)) ax2 = plt.subplot2grid((2, 2), (0, 1)) ax3 = plt.subplot2grid((2, 2), (1, 0)) ax4 = plt.subplot2grid((2, 2), (1, 1)) ax1.set_title("Linear SVM, cost = 0.1") test_linear_kernel(ax1, cost=0.1) ax2.set_title("Linear SVM, cost = 500") test_linear_kernel(ax2, cost=500) ax3.set_title("RBF kernel SVM, cost = 0.1") test_rbf_kernel(ax3, cost=0.1) ax4.set_title("RBF kernel SVM, cost = 500") test_rbf_kernel(ax4, cost=500) sys.stdout = sys.__stdout__ print("Plot done!") def test_linear_kernel(ax, cost): train_x, train_y = make_blobs( n_samples=500, centers=2, n_features=2, random_state=1 ) train_y[train_y == 0] = -1 scaler = StandardScaler() train_x_scaled = scaler.fit_transform(train_x, train_y) train_data = np.hstack((train_y.reshape(500, 1), train_x_scaled)) my_kernel = Kernel(kernel="linear", degree=5, coef0=1, gamma=0.5) mysvm = SmoSVM( train=train_data, kernel_func=my_kernel, cost=cost, tolerance=0.001, auto_norm=False, ) mysvm.fit() plot_partition_boundary(mysvm, train_data, ax=ax) def test_rbf_kernel(ax, cost): train_x, train_y = make_circles( n_samples=500, noise=0.1, factor=0.1, random_state=1 ) train_y[train_y == 0] = -1 scaler = StandardScaler() train_x_scaled = scaler.fit_transform(train_x, train_y) train_data = np.hstack((train_y.reshape(500, 1), train_x_scaled)) my_kernel = Kernel(kernel="rbf", degree=5, coef0=1, gamma=0.5) mysvm = SmoSVM( train=train_data, kernel_func=my_kernel, cost=cost, tolerance=0.001, auto_norm=False, ) mysvm.fit() plot_partition_boundary(mysvm, train_data, ax=ax) def plot_partition_boundary( model, train_data, ax, resolution=100, colors=("b", "k", "r") ): """ We cannot get the optimal w of our kernel SVM model, which is different from a linear SVM. For this reason, we generate randomly distributed points with high density, and predicted values of these points are calculated using our trained model. Then we could use this predicted values to draw contour map, and this contour map represents the SVM's partition boundary. """ train_data_x = train_data[:, 1] train_data_y = train_data[:, 2] train_data_tags = train_data[:, 0] xrange = np.linspace(train_data_x.min(), train_data_x.max(), resolution) yrange = np.linspace(train_data_y.min(), train_data_y.max(), resolution) test_samples = np.array([(x, y) for x in xrange for y in yrange]).reshape( resolution * resolution, 2 ) test_tags = model.predict(test_samples, classify=False) grid = test_tags.reshape((len(xrange), len(yrange))) # Plot contour map which represents the partition boundary ax.contour( xrange, yrange, np.asmatrix(grid).T, levels=(-1, 0, 1), linestyles=("--", "-", "--"), linewidths=(1, 1, 1), colors=colors, ) # Plot all train samples ax.scatter( train_data_x, train_data_y, c=train_data_tags, cmap=plt.cm.Dark2, lw=0, alpha=0.5, ) # Plot support vectors support = model.support ax.scatter( train_data_x[support], train_data_y[support], c=train_data_tags[support], cmap=plt.cm.Dark2, ) if __name__ == "__main__": test_cancer_data() test_demonstration() plt.show()