import numpy as np import matplotlib.pyplot as plt import os from glob import glob from tqdm import tqdm import sys def Hbeta(D=np.array([]), beta=1.0): """ Compute the perplexity and the P-row for a specific value of the precision of a Gaussian distribution. Args: D (numpy.ndarray): Distance array. beta (float): Precision of the Gaussian distribution. Returns: tuple: A tuple containing perplexity (H) and the P-row (P). """ P = np.exp(-D.copy() * beta) sumP = sum(P) H = np.log(sumP) + beta * np.sum(D * P) / sumP P = P / sumP return H, P def pca(X=np.array([]), no_dims=50): # Runs PCA on the NxD array X in order to reduce its dimensionality to no_dims dimensions. (n, d) = X.shape X = X - np.tile(np.mean(X, 0), (n, 1)) (l, M) = np.linalg.eig(np.dot(X.T, X)) Y = np.dot(X, M[:, 0:no_dims]) return Y def x2p(X=np.array([]), tol=1e-5, perplexity=30.0): """ Performs a binary search to get P-values in such a way that each conditional Gaussian has the same perplexity. """ (n, d) = X.shape sum_X = np.sum(np.square(X), 1) D = np.add(np.add(-2 * np.dot(X, X.T), sum_X).T, sum_X) P = np.zeros((n, n)) beta = np.ones((n, 1)) logU = np.log(perplexity) # Loop over all datapoints for i in range(n): if i % 100 == 0: print("Computing P-values for point %d of %d..." % (i, n)) # Compute the Gaussian kernel and entropy for the current precision betamin = -np.inf betamax = np.inf Di = D[i, np.concatenate((np.r_[0:i], np.r_[i+1:n]))] (H, thisP) = Hbeta(Di, beta[i]) # Evaluate whether the perplexity is within tolerance Hdiff = H - logU tries = 0 while np.abs(Hdiff) > tol and tries < 50: # If not, increase or decrease precision if Hdiff > 0: betamin = beta[i].copy() if betamax == np.inf or betamax == -np.inf: beta[i] = beta[i] * 2. else: beta[i] = (beta[i] + betamax) / 2. else: betamax = beta[i].copy() if betamin == np.inf or betamin == -np.inf: beta[i] = beta[i] / 2. else: beta[i] = (beta[i] + betamin) / 2. # Recompute the values (H, thisP) = Hbeta(Di, beta[i]) Hdiff = H - logU tries += 1 # Set the final row of P P[i, np.concatenate((np.r_[0:i], np.r_[i+1:n]))] = thisP # Return final P-matrix print("Mean value of sigma: %f" % np.mean(np.sqrt(1 / beta))) return P def tsne(X=np.array([]), no_dims=2, initial_dims=50, perplexity=30.0): """ Runs t-SNE on the dataset in the NxD array X to reduce its dimensionality to no_dims dimensions. The syntaxis of the function is `Y = tsne.tsne(X, no_dims, perplexity), where X is an NxD NumPy array. """ if isinstance(no_dims, float): print("Error: array X should have type float.") return -1 if round(no_dims) != no_dims: print("Error: number of dimensions should be an integer.") return -1 X = pca(X, initial_dims).real (n, d) = X.shape max_iter = 1000 initial_momentum = 0.5 final_momentum = 0.8 eta = 500 min_gain = 0.01 Y = np.random.randn(n, no_dims) dY = np.zeros((n, no_dims)) iY = np.zeros((n, no_dims)) gains = np.ones((n, no_dims)) # Compute P-values P = x2p(X, 1e-5, perplexity) P = P + np.transpose(P) P = P / np.sum(P) P = P * 4. P = np.maximum(P, 1e-12) for iter in range(max_iter): # Compute pairwise affinities sum_Y = np.sum(np.square(Y), 1) num = -2. * np.dot(Y, Y.T) num = 1. / (1. + np.add(np.add(num, sum_Y).T, sum_Y)) # num[range(n), range(n)] = 0. Q = num / np.sum(num) Q = np.maximum(Q, 1e-12) # Compute gradient PQ = P - Q for i in range(n): dY[i, :] = np.sum(np.tile(PQ[:, i] * num[:, i], (no_dims, 1)).T * (Y[i, :] - Y), 0) # Perform the update if iter < 20: momentum = initial_momentum else: momentum = final_momentum gains = (gains + 0.2) * ((dY > 0.) != (iY > 0.)) + \ (gains * 0.8) * ((dY > 0.) == (iY > 0.)) gains[gains < min_gain] = min_gain iY = momentum * iY - eta * (gains * dY) Y = Y + iY Y = Y - np.tile(np.mean(Y, 0), (n, 1)) # Compute current value of cost function if (iter + 1) % 10 == 0: C = np.sum(P * np.log(P / Q)) print("Iteration %d: error is %f" % (iter + 1, C)) if iter == 100: P = P / 4. return Y import numpy as np import matplotlib.pyplot as plt import os from glob import glob from tqdm import tqdm import sys def Hbeta(D=np.array([]), beta=1.0): """ Compute the perplexity and the P-row for a specific value of the precision of a Gaussian distribution. Args: D (numpy.ndarray): Distance array. beta (float): Precision of the Gaussian distribution. Returns: tuple: A tuple containing perplexity (H) and the P-row (P). """ # Compute P-row and corresponding perplexity P = np.exp(-D.copy() * beta) sumP = np.sum(P) H = np.log(sumP) + beta * np.sum(D * P) / sumP P = P / sumP return H, P def pca(X=np.array([]), no_dims=50): """ Performs PCA on the NxD array X to reduce its dimensionality to no_dims dimensions. Args: X (numpy.ndarray): Input data array. no_dims (int): Number of dimensions to reduce to. Returns: numpy.ndarray: The reduced data array. """ (n, d) = X.shape X = X - np.tile(np.mean(X, axis=0), (n, 1)) (l, M) = np.linalg.eig(np.dot(X.T, X)) Y = np.dot(X, M[:, 0:no_dims]) return Y def x2p(X=np.array([]), tol=1e-5, perplexity=30.0): """ Performs a binary search to get P-values such that each conditional Gaussian has the same perplexity. Args: X (numpy.ndarray): Input data array. tol (float): Tolerance for the perplexity. perplexity (float): Desired perplexity. Returns: numpy.ndarray: The P-values matrix. """ (n, d) = X.shape sum_X = np.sum(np.square(X), axis=1) D = np.add(np.add(-2 * np.dot(X, X.T), sum_X).T, sum_X) P = np.zeros((n, n)) beta = np.ones((n, 1)) logU = np.log(perplexity) # Loop over all data points for i in range(n): if i % 100 == 0: print(f"Computing P-values for point {i} of {n}...") # Compute the Gaussian kernel and entropy for the current precision betamin = -np.inf betamax = np.inf Di = D[i, np.concatenate((np.r_[0:i], np.r_[i+1:n]))] (H, thisP) = Hbeta(Di, beta[i]) # Evaluate whether the perplexity is within tolerance Hdiff = H - logU tries = 0 while np.abs(Hdiff) > tol and tries < 50: # If not, adjust precision if Hdiff > 0: betamin = beta[i].copy() if betamax in [np.inf, -np.inf]: beta[i] *= 2 else: beta[i] = (beta[i] + betamax) / 2 else: betamax = beta[i].copy() if betamin in [np.inf, -np.inf]: beta[i] /= 2 else: beta[i] = (beta[i] + betamin) / 2 # Recompute the values (H, thisP) = Hbeta(Di, beta[i]) Hdiff = H - logU tries += 1 # Set the final row of P P[i, np.concatenate((np.r_[0:i], np.r_[i+1:n]))] = thisP print("Mean value of sigma: %f" % np.mean(np.sqrt(1 / beta))) return P def tsne(X=np.array([]), no_dims=2, initial_dims=50, perplexity=30.0): """ Runs t-SNE on the dataset in the NxD array X to reduce its dimensionality to no_dims dimensions. Args: X (numpy.ndarray): Input data array. no_dims (int): Number of dimensions to reduce to. initial_dims (int): Number of initial dimensions. perplexity (float): Desired perplexity. Returns: numpy.ndarray: The reduced data array. """ if isinstance(no_dims, float): print("Error: array X should have type float.") return -1 if round(no_dims) != no_dims: print("Error: number of dimensions should be an integer.") return -1 X = pca(X, initial_dims).real (n, d) = X.shape max_iter = 1000 initial_momentum = 0.5 final_momentum = 0.8 eta = 500 min_gain = 0.01 Y = np.random.randn(n, no_dims) dY = np.zeros((n, no_dims)) iY = np.zeros((n, no_dims)) gains = np.ones((n, no_dims)) # Compute P-values P = x2p(X, 1e-5, perplexity) P = P + np.transpose(P) # Ensure symmetry P = P / np.sum(P) # Normalize P = P * 4. # Early exaggeration P = np.maximum(P, 1e-12) # Avoid numerical issues for iter in range(max_iter): # Compute pairwise affinities sum_Y = np.sum(np.square(Y), axis=1) num = -2. * np.dot(Y, Y.T) num = 1. / (1. + np.add(np.add(num, sum_Y).T, sum_Y)) num[np.arange(n), np.arange(n)] = 0. # Avoid self-affinity Q = num / np.sum(num) Q = np.maximum(Q, 1e-12) # Avoid numerical issues # Compute gradient PQ = P - Q for i in range(n): dY[i, :] = np.sum(np.tile(PQ[:, i] * num[:, i], (no_dims, 1)).T * (Y[i, :] - Y), axis=0) # Perform the update momentum = initial_momentum if iter < 20 else final_momentum gains = (gains + 0.2) * ((dY > 0.) != (iY > 0.)) + (gains * 0.8) * ((dY > 0.) == (iY > 0.)) gains[gains < min_gain] = min_gain iY = momentum * iY - eta * (gains * dY) Y = Y + iY Y -= np.tile(np.mean(Y, axis=0), (n, 1)) # Center the data # Compute current value of cost function if (iter + 1) % 10 == 0: C = np.sum(P * np.log(P / Q)) print(f"Iteration {iter + 1}: error is {C:.6f}") if iter == 100: P /= 4. # Decrease early exaggeration return Y if __name__ == '__main__': task = sys.argv[2] if sys.argv[1] == "gnss": task_class = {0: 3, 1: 5, 2: 7, 3: 9, 4: 11} colors = {0: "#1f77b4", 1: "#ff7f0e", 2: "#2ca02c", 3: "#d62728", 4: "#9467bd", 5: "#8c564b", 6: "#e377c2", 7: "#7f7f7f", 8: "#bcbd22", 9: "#17becf", 10: "#000000"} elif sys.argv[1] == "cifar": task_class = {0: 4, 1: 6, 2: 8, 3: 10} colors = {0: "#1f77b4", 1: "#ff7f0e", 2: "#2ca02c", 3: "#d62728", 4: "#9467bd", 5: "#8c564b", 6: "#e377c2", 7: "#7f7f7f", 8: "#bcbd22", 9: "#17becf"} else: raise Exception("Please provide the name of the dataset.") # Load embeddings and ground truth of a task emb_file = f"embeddings_{task}.npy" ground_truth_file = f"predictions_{task}_tr_pr.npy" points = np.load(emb_file) ground_truth = np.load(ground_truth_file) size = points.shape[1] labels = ground_truth[:, 0] # Check if t-SNE embeddings are already computed tsne_file = f"tsne_embeddings/emb_tsne_{task}.npy" if not os.path.isfile(tsne_file): tsne_embs = tsne(points, 2, size, 30.0) np.save(tsne_file, tsne_embs) tsne_embs = np.load(tsne_file, allow_pickle=True) x = tsne_embs print('t-SNE embeddings shape:', x.shape) y = labels colors_list = [colors[cy] for cy in y] # Plotting the t-SNE results plt.figure(figsize=(5, 4)) for key, val in colors.items(): if key == task_class[int(task)]: break cur_x = x[y == key] plt.scatter(cur_x[:, 0], cur_x[:, 1], s=8, color=val, label=f"Class: {key}") # Add legend and save the plot plt.legend(fontsize=10, loc="lower left", ncol=2, labelspacing=0.03, columnspacing=0.03, handletextpad=0.03) plt.tight_layout() plt.xticks([], []) plt.yticks([], []) plt.savefig(f"tsne_plots/tsne_{task}.pdf", dpi=1200) plt.close()