def listed_k_nearest_neighbors(vectors, sample_idcs, negative_idcs=None, k=1):
print('Find high dimensional neighbors...')
start = time.time()
index = faiss.IndexFlatL2(vectors.shape[1]) # build the index
index.add(vectors.astype(np.float32)) # add vectors to the index
_, idx = index.search(vectors[sample_idcs].astype(np.float32),
len(vectors))
mask = np.isin(idx, sample_idcs).__invert__()
idx = idx[mask].reshape(len(idx), -1)
scores = np.arange(idx.shape[1]).reshape(1, -1) * np.ones(idx.shape)
idx = idx.transpose().flatten(
) # list nearest mutual neighbors and make them unique
scores = scores.transpose().flatten()
neighbors = []
for i in idx:
if i not in neighbors:
neighbors.append(i)
if len(neighbors) == k:
break
stop = time.time()
print('Done. ({}min {}s)'.format(
int((stop - start)) / 60, (stop - start) % 60))
return neighbors, scores
def mutual_k_nearest_neighbors(vectors, sample_idcs, negative_idcs=None, k=1):
print('Find high dimensional neighbors...')
start = time.time()
index = faiss.IndexFlatL2(vectors.shape[1]) # build the index
index.add(vectors.astype(np.float32)) # add vectors to the index
dist, idx = index.search(vectors[sample_idcs].astype(np.float32),
len(vectors))
# the neighbor score for each sample is computed as the sum of distances to all the samples
scores = np.zeros(len(vectors))
for i in range(len(vectors)):
mask = idx == i
scores[i] = dist[mask].sum()
neighbors = np.argsort(scores)
neighbors = neighbors[np.isin(neighbors, sample_idcs).__invert__()][:k]
stop = time.time()
print('Done. ({}min {}s)'.format(
int((stop - start)) / 60, (stop - start) % 60))
return neighbors, scores[neighbors]
def get_neighborhood(position, idx_modified):
"""Use faiss to compute neighborhood of modified samples."""
if len(idx_modified) == 0:
return []
print('Infer neighborhood...')
start = time.time()
index = faiss.IndexFlatL2(position.shape[1]) # build the index
index.add(position.astype(np.float32)) # add vectors to the index
# define nearest neighbors wrt cluster center
center = np.mean(position[idx_modified], axis=0).reshape(1, -1)
dist, idx = index.search(center.astype(np.float32), len(position))
in_modified = np.isin(idx, idx_modified)
max_dist = 1.1 * np.max(dist[in_modified])
neighbors = idx[(dist <= max_dist) * (in_modified.__invert__())]
stop = time.time()
print('Done. ({}min {}s)'.format(
int((stop - start)) / 60, (stop - start) % 60))
return neighbors
def get_neighborhood(data, sample_idcs, buffer=0., use_faiss=True):
"""Determine all data points within the sphere in data space defined by the samples.
Args:
data (np.ndarray): NxD array containing N D-dimensional data vectors
sample_idcs (iterable ints): indices of the data points that define the sphere
buffer (optional, float): fraction of radius which to additionally include in sphere
use_faiss (optional, bool): whether to use faiss library for distance calculation
"""
# get center of samples
center = np.mean(data[sample_idcs], axis=0, keepdims=True)
if use_faiss:
index = faiss.IndexFlatL2(data.shape[1]) # build the index
index.add(data.astype('float32')) # add vectors to the index
distances, indices = index.search(center.astype('float32'), len(data))
distances, indices = np.sqrt(
distances[0]), indices[0] # faiss returns squared distances
radius = max(
[d for d, i in zip(distances, indices) if i in sample_idcs])
radius += buffer * radius
local_idcs = []
for d, i in zip(distances, indices):
if d > radius:
break
local_idcs.append(i)
local_idcs = np.array(local_idcs)
else:
distances = np.array([euclidean(d, center) for d in data])
radius = max(distances[sample_idcs])
radius += buffer * radius
local_idcs = np.where(distances <= radius)[0]
return local_idcs, center, radius
def score_k_nearest_neighbors(vectors, sample_idcs, negative_idcs=None, k=1):
print('Find high dimensional neighbors...')
start = time.time()
index = faiss.IndexFlatL2(vectors.shape[1]) # build the index
index.add(vectors.astype(np.float32)) # add vectors to the index
dist, idx = index.search(vectors[sample_idcs].astype(np.float32),
len(vectors))
mask = np.isin(idx, sample_idcs).__invert__()
idx = idx[mask].reshape(len(idx), -1)
# get the neighbor score for each sample
# the neighbor score for each sample is computed as the sum of the column numbers in which it appears
scores = np.zeros(len(vectors), dtype=np.longlong)
for col in range(idx.shape[1]):
scores[idx[:, col]] += col
neighbors = np.argsort(scores)[len(sample_idcs) + 1:len(sample_idcs) + 1 +
k]
stop = time.time()
print('Done. ({}min {}s)'.format(
int((stop - start)) / 60, (stop - start) % 60))
return neighbors, scores[neighbors]
def generate_triplets(positives,
negatives,
N,
n_pos_pa=1,
n_neg_pp=1,
seed=123,
consider_neighborhood=False,
embedding=None,
n_nn_neg_pp=1):
np.random.seed(seed)
neighbor_sampling = consider_neighborhood and embedding is not None
if neighbor_sampling:
assert np.concatenate([
positives, negatives
]).max() < len(embedding), 'sample index out of embedding shape'
n_pos_pa = min(n_pos_pa, len(positives) - 1)
n_neg_pp = min(n_neg_pp, len(negatives) - 1)
if n_pos_pa <= 0 or n_neg_pp <= 0:
return np.array([], dtype=long)
N_anchors = min(int(N * 1.0 / (n_neg_pp * n_pos_pa)), len(positives))
N_tot = N_anchors * n_pos_pa * n_neg_pp
if N != N_tot:
warnings.warn(
'Too few data to generate {} triplets. Instead generate {} triplets using:\n'
'{} anchors, {} positives per anchor, {} negatives per positive'.
format(N, N_tot, N_anchors, n_pos_pa, n_neg_pp), RuntimeWarning)
N = N_tot
triplets = np.empty((N, 3), dtype=np.long)
anchors = np.random.choice(positives, N_anchors, replace=False)
if neighbor_sampling:
# get the embedding neighbors for the anchors
index = faiss.IndexFlatL2(embedding.shape[1]) # build the index
index.add(embedding.astype('float32')) # add vectors to the index
_, neighbors = index.search(embedding[anchors].astype('float32'),
len(embedding))
for i, a in enumerate(anchors):
pos = np.random.choice(np.delete(positives,
np.where(positives == a)[0][0]),
n_pos_pa,
replace=False)
if neighbor_sampling: # get the nearest negatives
nn_negatives = np.array(
[nghbr for nghbr in neighbors[i] if nghbr in negatives])
n_neg_neighbors = min(
len(nn_negatives) - 1, n_pos_pa * n_nn_neg_pp)
nn_negatives = nn_negatives[:n_neg_neighbors]
outer_negatives = np.array(
[n for n in negatives if not n in nn_negatives])
n_outer_neg_pp = min(n_neg_pp - n_nn_neg_pp,
len(outer_negatives) - 1)
if n_outer_neg_pp + n_nn_neg_pp != n_neg_pp:
n_nn_neg_pp = n_neg_pp - n_outer_neg_pp
warnings.warn(
'cannot generate {} negatives. Use {} negatives from neighborhood '
'and {} from outside.'.format(n_neg_pp, n_nn_neg_pp,
n_outer_neg_pp))
for j, p in enumerate(pos):
if neighbor_sampling:
nn_neg = np.random.choice(nn_negatives,
n_nn_neg_pp,
replace=False)
neg = np.random.choice(outer_negatives,
n_outer_neg_pp,
replace=False)
neg = np.concatenate([nn_neg, neg])
else:
neg = np.random.choice(negatives, n_neg_pp, replace=False)
t = np.stack([np.repeat(a, n_neg_pp),
np.repeat(p, n_neg_pp), neg],
axis=1)
i_start = (i * n_pos_pa + j) * n_neg_pp
triplets[i_start:i_start + n_neg_pp] = t
return triplets
def create_graph(names, positions, label=None, labels=None):
"""Compute nearest neighbor graph with inverse distances used as edge weights ('link strength')."""
global features, n_neighbors
print('Compute nearest neighbor graph...')
tic = time()
def create_links(neighbors, distances, strenght_range=(0, 1)):
"""Computes links between data points based on nearest neighbor distance."""
# depending on nn layout remove samples themselves from nn list
if neighbors[0, 0] == 0: # first column contains sample itself
neighbors = neighbors[:, 1:]
distances = distances[:, 1:]
# normalize quadratic distances to strength_range to use them as link strength
a, b = strenght_range
dmin = distances.min()**2
dmax = distances.max()**2
distances = (b - a) * (distances**2 - dmin) / (dmax - dmin) + a
links = {}
for i in range(len(neighbors)):
links[i] = {}
for n, d in zip(neighbors[i], distances[i]):
# # prevent double linking # allow double linking!
# if n < i:
# if i in neighbors[n]:
# continue
links[i][n] = float(d)
return links
# compute nearest neighbors and distances with faiss library
index = faiss.IndexFlatL2(features.shape[1]) # build the index
index.add(np.stack(features).astype('float32')) # add vectors to the index
knn_distances, knn_indices = index.search(
np.stack(features).astype('float32'), n_neighbors +
1) # add 1 because neighbors include sample itself for k=0
# get links between the nodes
# invert strength range because distances are used as measure and we want distant points to be weakly linked
links = create_links(knn_indices[:, :n_neighbors + 1],
knn_distances[:, :n_neighbors + 1],
strenght_range=(1, 0))
if label is None:
label = [None] * len(names)
if labels is None:
labels = {0: [None] * len(names)}
elif not isinstance(labels, dict):
labels = {0: labels}
nodes = {}
for i, (name, (x, y)) in enumerate(zip(names, positions)):
multi_label = [l[i] for l in labels.values()]
nodes[i] = {
'name': name,
'label': str(label[i]),
'labels': multi_label,
'x': x,
'y': y,
'links': links[i]
}
toc = time()
print('Done. ({:2.0f}min {:2.1f}s)'.format((toc - tic) / 60,
(toc - tic) % 60))
return nodes, labels.keys()
def evaluate(ground_truth,
plot_decision_boundary=True,
plot_GTE=True,
compute_GTE=True,
eval_local=True):
global reset, gte_fig, db_fig
with open('_svm_prediction.pkl', 'rb') as f:
svm_data = pickle.load(f)
predictions = svm_data['labels']
distances = svm_data['distance']
local_idcs = svm_data['local_indices'] if eval_local else np.arange(
len(predictions)).astype(int)
train_idcs = np.concatenate([
svm_data['idcs_positives_train'], svm_data['idcs_negatives_train']
])
if compute_GTE:
local_embedding = svm_data['local_embedding']
local_triplets = svm_data['local_triplets']
test_idcs = np.array([
idx for idx in range(len(ground_truth))
if (idx in local_idcs and idx not in train_idcs)
],
dtype=int)
# evaluate precision, recall and true negative rate
# training
(tn_rate_train,
prec_train), (_, recall_train), _, _ = precision_recall_fscore_support(
ground_truth[train_idcs], predictions[train_idcs])
(tn_rate_test,
prec_test), (_, recall_test), _, _ = precision_recall_fscore_support(
ground_truth[test_idcs], predictions[test_idcs])
train_acc = np.sum(predictions[train_idcs] ==
ground_truth[train_idcs]) * 1.0 / len(train_idcs)
test_acc = np.sum(predictions[test_idcs] ==
ground_truth[test_idcs]) * 1.0 / len(test_idcs)
print('Train SVM: '
'\n\taccuracy: {:2.1f}%'
'\n\tprecision: {:.3f}'
'\n\trecall: {:.3f}'
'\n\ttn_rate: {:.3f}'
'\nTest SVM: '
'\n\taccuracy: {:2.1f}%'
'\n\tprecision: {:.3f}'
'\n\trecall: {:.3f}'
'\n\ttn_rate: {:.3f}'.format(100 * train_acc, prec_train,
recall_train, tn_rate_train,
100 * test_acc, prec_test, recall_test,
tn_rate_test))
if plot_decision_boundary:
if db_fig is None:
db_fig, ax = plt.subplots(1, 3, figsize=(12, 4))
ax = db_fig.axes
for a in ax:
a.clear()
# Plot decision boundary accuracy
ax[0].set_title('test')
ax[0].plot(distances[test_idcs][predictions[test_idcs] ==
ground_truth[test_idcs]],
np.zeros(
len(distances[test_idcs][predictions[test_idcs] ==
ground_truth[test_idcs]])),
c='g',
linewidth=0.0,
marker='o',
alpha=0.1)
ax[0].plot(
distances[test_idcs][
predictions[test_idcs] != ground_truth[test_idcs]],
np.zeros(
len(distances[test_idcs][
predictions[test_idcs] != ground_truth[test_idcs]])),
c='r',
linewidth=0.0,
marker='o',
alpha=0.1)
# train
ax[1].set_title('train')
ax[1].plot(distances[train_idcs][predictions[train_idcs] ==
ground_truth[train_idcs]],
np.zeros(
len(distances[train_idcs][predictions[train_idcs] ==
ground_truth[train_idcs]])),
c='g',
linewidth=0.0,
marker='o',
alpha=0.1)
ax[1].plot(
distances[train_idcs][
predictions[train_idcs] != ground_truth[train_idcs]],
np.zeros(
len(distances[train_idcs][
predictions[train_idcs] != ground_truth[train_idcs]])),
c='r',
linewidth=0.0,
marker='o',
alpha=0.1)
# all images
ax[2].set_title('global')
ax[2].plot(distances[predictions == ground_truth],
np.zeros(len(distances[predictions == ground_truth])),
c='g',
linewidth=0.0,
marker='o',
alpha=0.1)
ax[2].plot(distances[predictions != ground_truth],
np.zeros(len(distances[predictions != ground_truth])),
c='r',
linewidth=0.0,
marker='o',
alpha=0.1)
plt.pause(8)
if compute_GTE:
# evaluate triplet error in embedding
positives = np.where(ground_truth[test_idcs] == 1)[0]
negatives = np.where(ground_truth[test_idcs] == 0)[0]
N_test_triplets = 200
test_triplets = generate_triplets(positives,
negatives,
n_pos_pa=2,
N=N_test_triplets,
seed=234)
for i, t in enumerate(test_triplets):
if any([(t == lt).all() for lt in local_triplets]):
print('duplicate')
accept = False
while not accept:
print('try new t')
t_new = generate_triplets(positives,
negatives,
N=1,
seed=345 + i)[0]
if not (any([(t_new == lt).all() for lt in test_triplets])
or any([(t_new == lt).all()
for lt in local_triplets])):
accept = True
test_triplets[i] = t_new
# evaluate GTE
# compute distances in local embedding
index = faiss.IndexFlatL2(local_embedding.shape[1]) # build the index
index.add(np.stack(local_embedding).astype(
'float32')) # add vectors to the index
knn_distances, knn_indices = index.search(
np.stack(local_embedding).astype('float32'), len(local_embedding))
GTE = 0.0
for (a, p, n) in test_triplets:
if knn_distances[a, p] >= knn_distances[a, n]:
GTE += 1
GTE = GTE / len(test_triplets)
else:
GTE = float('nan')
# Write to evaluation file
f = open('_eval.csv', 'wb') if reset else open('_eval.csv', 'a')
outdict = {'n_labeled': len(train_idcs), 'test_acc': test_acc, 'GTE': GTE}
writer = csv.DictWriter(f, fieldnames=outdict.keys())
if reset:
writer.writeheader()
writer.writerow(outdict)
f.close()
if plot_GTE:
# plot result
n_labeled = []
test_acc = []
GTE = []
with open('_eval.csv', 'rb') as f:
reader = csv.DictReader(f, fieldnames=outdict.keys())
next(reader, None) # skip the headers
for row in reader:
n_labeled.append(int(row['n_labeled']))
test_acc.append(float(row['test_acc']))
GTE.append(float(row['GTE']))
if gte_fig is None:
gte_fig, ax = plt.subplots(1, 2)
ax = gte_fig.axes
for a in ax:
a.clear()
ax[0].set_title('test acc')
ax[0].plot(n_labeled, test_acc)
ax[1].set_title('GTE')
n_labeled = np.array(n_labeled)
GTE = np.array(GTE)
ax[1].plot(n_labeled[np.isfinite(GTE)], GTE[np.isfinite(GTE)])
plt.pause(5)
reset = False