TFP 릴리스 노트 노트북(0.12.1)

이 노트북의 목적은 TFP로 달성할 수 있는 것의 작은 데모인 몇 가지 작은 스니펫을 통해 TFP 0.12.1이 "활성화"되도록 돕는 것입니다.

설치 및 가져오기

토글 코드

!pip3 install -qU tensorflow==2.4.0 tensorflow_probability==0.12.1 tensorflow-datasets inference_gym

import tensorflow as tf
import tensorflow_probability as tfp
assert '0.12' in tfp.__version__, tfp.__version__
assert '2.4' in tf.__version__, tf.__version__

physical_devices = tf.config.list_physical_devices('CPU')
tf.config.set_logical_device_configuration(
    physical_devices[0],
    [tf.config.LogicalDeviceConfiguration(),
     tf.config.LogicalDeviceConfiguration()])

tfd = tfp.distributions
tfb = tfp.bijectors
tfpk = tfp.math.psd_kernels

import matplotlib.pyplot as plt
import numpy as np
import scipy.interpolate
import IPython
import seaborn as sns
from inference_gym import using_tensorflow as gym
import logging

바이젝터

Glow

종이에서 bijector 반전 × 1 컨벌루션와 제너 흐름 : 발광 , Kingma 및 Dhariwal에 의해.

배포판에서 이미지를 그리는 방법은 다음과 같습니다(여기서 배포판은 아무 것도 "학습"하지 않았습니다).

image_shape = (32, 32, 4)  # 32 x 32 RGBA image

glow = tfb.Glow(output_shape=image_shape,
                coupling_bijector_fn=tfb.GlowDefaultNetwork,
                exit_bijector_fn=tfb.GlowDefaultExitNetwork)

pz = tfd.Sample(tfd.Normal(0., 1.), tf.reduce_prod(image_shape))

# Calling glow on distribution p(z) creates our glow distribution over images.
px = glow(pz)

# Take samples from the distribution to get images from your dataset.
image = px.sample(1)[0].numpy()

# Rescale to [0, 1].
image = (image - image.min()) / (image.max() - image.min())
plt.imshow(image);

RayleighCDF

에 대한 Bijector 레일리 분포의 CDF. 한 가지 용도는 균일한 샘플을 가져온 다음 CDF의 역함수를 통해 전달하여 Rayleigh 분포에서 샘플링하는 것입니다.

bij = tfb.RayleighCDF()
uniforms = tfd.Uniform().sample(10_000)
plt.hist(bij.inverse(uniforms), bins='auto');

Ascending() 대체 Invert(Ordered())

x = tfd.Normal(0., 1.).sample(5)
print(tfb.Ascending()(x))
print(tfb.Invert(tfb.Ordered())(x))

tf.Tensor([1.9363368 2.650928  3.4936204 4.1817293 5.6920815], shape=(5,), dtype=float32)
WARNING:tensorflow:From <ipython-input-5-1406b9939c00>:3: Ordered.__init__ (from tensorflow_probability.python.bijectors.ordered) is deprecated and will be removed after 2021-01-09.
Instructions for updating:
`Ordered` bijector is deprecated; please use `tfb.Invert(tfb.Ascending())` instead.
tf.Tensor([1.9363368 2.650928  3.4936204 4.1817293 5.6920815], shape=(5,), dtype=float32)

추가 low 인수를 : Softplus(low=2.)

x = tf.linspace(-4., 4., 100)

for low in (-1., 0., 1.):
  bij = tfb.Softplus(low=low)
  plt.plot(x, bij(x));

tfb.ScaleMatvecLinearOperatorBlock 블록 단위 지원 LinearOperator , 여러 부분으로 인수를

op_1 = tf.linalg.LinearOperatorDiag(diag=[1., -1., 3.])
op_2 = tf.linalg.LinearOperatorFullMatrix([[12., 5.], [-1., 3.]])
scale = tf.linalg.LinearOperatorBlockDiag([op_1, op_2], is_non_singular=True)

bij = tfb.ScaleMatvecLinearOperatorBlock(scale)
bij([[1., 2., 3.], [0., 1.]])

WARNING:tensorflow:From /usr/local/lib/python3.6/dist-packages/tensorflow/python/ops/linalg/linear_operator_block_diag.py:223: LinearOperator.graph_parents (from tensorflow.python.ops.linalg.linear_operator) is deprecated and will be removed in a future version.
Instructions for updating:
Do not call `graph_parents`.
[<tf.Tensor: shape=(3,), dtype=float32, numpy=array([ 1., -2.,  9.], dtype=float32)>,
 <tf.Tensor: shape=(2,), dtype=float32, numpy=array([5., 3.], dtype=float32)>]

분포

Skellam

둘의 차이를 통해 배포 Poisson 의 RV. 이 분포의 표본은 음수일 수 있습니다.

x = tf.linspace(-5., 10., 10 - -5 + 1)

rates = (4, 2)
for i, rate in enumerate(rates):
  plt.bar(x - .3 * (1 - i), tfd.Poisson(rate).prob(x), label=f'Poisson({rate})', alpha=0.5, width=.3)
plt.bar(x.numpy() + .3, tfd.Skellam(*rates).prob(x).numpy(), color='k', alpha=0.25, width=.3,
        label=f'Skellam{rates}')

plt.legend();

JointDistributionCoroutine[AutoBatched] 생산 namedtuple -like 샘플

명시 적으로 지정 sample_dtype=[...] 이전에 대한 tuple 행동.

@tfd.JointDistributionCoroutineAutoBatched
def model():
  x = yield tfd.Normal(0., 1., name='x')
  y = x + 4.
  yield tfd.Normal(y, 1., name='y')

draw = model.sample(10_000)

plt.hist(draw.x, bins='auto', alpha=0.5)
plt.hist(draw.y, bins='auto', alpha=0.5);

WARNING:tensorflow:Note that RandomStandardNormal inside pfor op may not give same output as inside a sequential loop.
WARNING:tensorflow:Note that RandomStandardNormal inside pfor op may not give same output as inside a sequential loop.

VonMisesFisher 지지체가 dim > 5 , entropy()

미제스 피셔 분포 상의 분포이다 \(n-1\) 의 치수 구 \(\mathbb{R}^n\).

dist = tfd.VonMisesFisher([0., 1, 0, 1, 0, 1], concentration=1.)
draws = dist.sample(3)

print(dist.entropy())
tf.reduce_sum(draws ** 2, axis=1)  # each draw has length 1

tf.Tensor(3.3533673, shape=(), dtype=float32)
<tf.Tensor: shape=(3,), dtype=float32, numpy=array([1.0000002 , 0.99999994, 1.0000001 ], dtype=float32)>

ExpGamma , ExpInverseGamma

log_rate 파라미터에 추가 Gamma . 수치 개선 저농도 샘플링 Beta , Dirichlet 및 친구. 모든 경우에 암시적 재매개변수화 기울기.

plt.figure(figsize=(10, 3))
plt.subplot(121)
plt.hist(tfd.Beta(.02, .02).sample(10_000), bins='auto')
plt.title('Beta(.02, .02)')
plt.subplot(122)
plt.title('GamX/(GamX+GamY) [the old way]')
g = tfd.Gamma(.02, 1); s0, s1 = g.sample(10_000), g.sample(10_000)
plt.hist(s0 / (s0 + s1), bins='auto')
plt.show()

plt.figure(figsize=(10, 3))
plt.subplot(121)
plt.hist(tfd.ExpGamma(.02, 1.).sample(10_000), bins='auto')
plt.title('ExpGamma(.02, 1)')
plt.subplot(122)
plt.hist(tfb.Log()(tfd.Gamma(.02, 1.)).sample(10_000), bins='auto')
plt.title('tfb.Log()(Gamma(.02, 1)) [the old way]');

JointDistribution*AutoBatched 재현 샘플링을 지원 (길이 2 튜플로 / 텐서 씨)

@tfd.JointDistributionCoroutineAutoBatched
def model():
  x = yield tfd.Normal(0, 1, name='x')
  y = yield tfd.Normal(x + 4, 1, name='y')

print(model.sample(seed=(1, 2)))
print(model.sample(seed=(1, 2)))

StructTuple(
  x=<tf.Tensor: shape=(), dtype=float32, numpy=-0.59835213>,
  y=<tf.Tensor: shape=(), dtype=float32, numpy=6.2380724>
)
StructTuple(
  x=<tf.Tensor: shape=(), dtype=float32, numpy=-0.59835213>,
  y=<tf.Tensor: shape=(), dtype=float32, numpy=6.2380724>
)

KL(VonMisesFisher || SphericalUniform)

# Build vMFs with the same mean direction, batch of increasing concentrations.
vmf = tfd.VonMisesFisher(tf.math.l2_normalize(tf.random.normal([10])),
                         concentration=[0., .1, 1., 10.])
# KL increases with concentration, since vMF(conc=0) == SphericalUniform.
print(tfd.kl_divergence(vmf, tfd.SphericalUniform(10)))

tf.Tensor([4.7683716e-07 4.9877167e-04 4.9384594e-02 2.4844694e+00], shape=(4,), dtype=float32)

parameter_properties

분배 클래스 이제 노출 parameter_properties(dtype=tf.float32, num_classes=None) 분포의 많은 종류의 자동화 된 구성을 사용할 수 클래스 방법.

print('Gamma:', tfd.Gamma.parameter_properties())
print('Categorical:', tfd.Categorical.parameter_properties(dtype=tf.float64, num_classes=7))

Gamma: {'concentration': ParameterProperties(event_ndims=0, shape_fn=<function ParameterProperties.<lambda> at 0x7ff6bbfcdd90>, default_constraining_bijector_fn=<function Gamma._parameter_properties.<locals>.<lambda> at 0x7ff6afd95510>, is_preferred=True), 'rate': ParameterProperties(event_ndims=0, shape_fn=<function ParameterProperties.<lambda> at 0x7ff6bbfcdd90>, default_constraining_bijector_fn=<function Gamma._parameter_properties.<locals>.<lambda> at 0x7ff6afd95ea0>, is_preferred=False), 'log_rate': ParameterProperties(event_ndims=0, shape_fn=<function ParameterProperties.<lambda> at 0x7ff6bbfcdd90>, default_constraining_bijector_fn=<class 'tensorflow_probability.python.bijectors.identity.Identity'>, is_preferred=True)}
Categorical: {'logits': ParameterProperties(event_ndims=1, shape_fn=<function Categorical._parameter_properties.<locals>.<lambda> at 0x7ff6afd95510>, default_constraining_bijector_fn=<class 'tensorflow_probability.python.bijectors.identity.Identity'>, is_preferred=True), 'probs': ParameterProperties(event_ndims=1, shape_fn=<function Categorical._parameter_properties.<locals>.<lambda> at 0x7ff6afdc91e0>, default_constraining_bijector_fn=<class 'tensorflow_probability.python.bijectors.softmax_centered.SoftmaxCentered'>, is_preferred=False)}

experimental_default_event_space_bijector

이제 일부 배포 부분을 고정하는 추가 인수를 허용합니다.

@tfd.JointDistributionCoroutineAutoBatched
def model():
  scale = yield tfd.Gamma(1, 1, name='scale')
  obs = yield tfd.Normal(0, scale, name='obs')

model.experimental_default_event_space_bijector(obs=.2).forward(
    [tf.random.uniform([3], -2, 2.)])

StructTuple(
  scale=<tf.Tensor: shape=(3,), dtype=float32, numpy=array([0.6630705, 1.5401832, 1.0777743], dtype=float32)>
)

JointDistribution.experimental_pin

반환 핀 일부 공동 분배 부분을 JointDistributionPinned 공동 표준화 밀도를 나타내는 개체를.

작업 experimental_default_event_space_bijector ,이 의미있는 디폴트로 훨씬 더 간단 변분 추론 또는 MCMC을하고 있습니다. 아래의 예에서의 첫 두 줄 sample 메이크업은 바람 MCMC를 실행.

dist = tfd.JointDistributionSequential([
    tfd.HalfNormal(1.),
    lambda scale: tfd.Normal(0., scale, name='observed')])

@tf.function
def sample():
  bij = dist.experimental_default_event_space_bijector(observed=1.)
  target_log_prob = dist.experimental_pin(observed=1.).unnormalized_log_prob

  kernel = tfp.mcmc.TransformedTransitionKernel(
      tfp.mcmc.HamiltonianMonteCarlo(target_log_prob,
                                     step_size=0.6,
                                     num_leapfrog_steps=16),
      bijector=bij)
  return tfp.mcmc.sample_chain(500, 
                               current_state=tf.ones([8]),  # multiple chains
                               kernel=kernel,
                               trace_fn=None)

draws = sample()

fig, (hist, trace) = plt.subplots(ncols=2, figsize=(16, 3))
trace.plot(draws, alpha=0.5)
for col in tf.transpose(draws):
  sns.kdeplot(col, ax=hist);

tfd.NegativeBinomial.experimental_from_mean_dispersion

대체 매개변수화. [e-mail]로 이메일을 보내거나 PR을 보내 다른 배포판에 유사한 클래스 메서드를 추가하세요.

nb = tfd.NegativeBinomial.experimental_from_mean_dispersion(30., .01)
plt.hist(nb.sample(10_000), bins='auto');

tfp.experimental.distribute

DistributionStrategy 교차 기기 우도 계산을 허용 조인트 분포 PIP 인식. 분산됩니다 Independent 및 Sample 배포.

# Note: 2-logical devices are configured in the install/import cell at top.
strategy = tf.distribute.MirroredStrategy()
assert strategy.num_replicas_in_sync == 2

@tfp.experimental.distribute.JointDistributionCoroutine
def model():
  root = tfp.experimental.distribute.JointDistributionCoroutine.Root
  group_scale = yield root(tfd.Sample(tfd.Exponential(1), 3, name='group_scale'))
  _ = yield tfp.experimental.distribute.ShardedSample(tfd.Independent(tfd.Normal(0, group_scale), 1),
                                                      sample_shape=[4], name='x')

seed1, seed2 = tfp.random.split_seed((1, 2))

@tf.function
def sample(seed):
  return model.sample(seed=seed)
xs = strategy.run(sample, (seed1,))
print("""
Note that the global latent `group_scale` is shared across devices, whereas
the local `x` is sampled independently on each device.
""")
print('sample:', xs)
print('another sample:', strategy.run(sample, (seed2,)))

@tf.function
def log_prob(x):
  return model.log_prob(x)
print("""
Note that each device observes the same log_prob (local latent log_probs are
summed across devices).
""")
print('log_prob:', strategy.run(log_prob, (xs,)))

@tf.function
def grad_log_prob(x):
  return tfp.math.value_and_gradient(model.log_prob, x)[1]

print("""
Note that each device observes the same log_prob gradient (local latents have
independent gradients, global latents have gradients aggregated across devices).
""")
print('grad_log_prob:', strategy.run(grad_log_prob, (xs,)))

WARNING:tensorflow:There are non-GPU devices in `tf.distribute.Strategy`, not using nccl allreduce.
INFO:tensorflow:Using MirroredStrategy with devices ('/job:localhost/replica:0/task:0/device:CPU:0', '/job:localhost/replica:0/task:0/device:CPU:1')

Note that the global latent `group_scale` is shared across devices, whereas 
the local `x` is sampled independently on each device.

sample: StructTuple(
  group_scale=PerReplica:{
      0: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([2.6355493, 1.1805456, 1.245112 ], dtype=float32)>,
      1: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([2.6355493, 1.1805456, 1.245112 ], dtype=float32)>
    },
  x=PerReplica:{
      0: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[-0.90548456,  0.7675636 ,  0.27627748],
           [-0.3475989 ,  2.0194046 , -1.2531326 ]], dtype=float32)>,
      1: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[ 3.251305  , -0.5790973 ,  0.42745453],
           [-1.562331  ,  0.3006323 ,  0.635732  ]], dtype=float32)>
    }
)
another sample: StructTuple(
  group_scale=PerReplica:{
      0: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([2.41133   , 0.10307606, 0.5236566 ], dtype=float32)>,
      1: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([2.41133   , 0.10307606, 0.5236566 ], dtype=float32)>
    },
  x=PerReplica:{
      0: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[-3.2476294 ,  0.07213175, -0.39536062],
           [-1.2319602 , -0.05505352,  0.06356457]], dtype=float32)>,
      1: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[ 5.6028705 ,  0.11919801, -0.48446828],
           [-1.5938259 ,  0.21123725,  0.28979057]], dtype=float32)>
    }
)

Note that each device observes the same log_prob (local latent log_probs are
summed across devices).

INFO:tensorflow:Reduce to /job:localhost/replica:0/task:0/device:CPU:0 then broadcast to ('/job:localhost/replica:0/task:0/device:CPU:0', '/job:localhost/replica:0/task:0/device:CPU:1').
log_prob: PerReplica:{
  0: tf.Tensor(-25.05747, shape=(), dtype=float32),
  1: tf.Tensor(-25.05747, shape=(), dtype=float32)
}

Note that each device observes the same log_prob gradient (local latents have
independent gradients, global latents are aggregated across devices).

INFO:tensorflow:Reduce to /job:localhost/replica:0/task:0/device:CPU:0 then broadcast to ('/job:localhost/replica:0/task:0/device:CPU:0', '/job:localhost/replica:0/task:0/device:CPU:1').
INFO:tensorflow:Reduce to /job:localhost/replica:0/task:0/device:CPU:0 then broadcast to ('/job:localhost/replica:0/task:0/device:CPU:0', '/job:localhost/replica:0/task:0/device:CPU:1').
grad_log_prob: StructTuple(
  group_scale=PerReplica:{
      0: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([-1.7555585, -1.2928739, -3.0554674], dtype=float32)>,
      1: <tf.Tensor: shape=(3,), dtype=float32, numpy=array([-1.7555585, -1.2928739, -3.0554674], dtype=float32)>
    },
  x=PerReplica:{
      0: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[ 0.13035832, -0.5507428 , -0.17820862],
           [ 0.05004217, -1.4489648 ,  0.80831426]], dtype=float32)>,
      1: <tf.Tensor: shape=(2, 3), dtype=float32, numpy=
    array([[-0.46807498,  0.41551432, -0.27572307],
           [ 0.22492138, -0.21570992, -0.41006932]], dtype=float32)>
    }
)

PSD 커널

GeneralizedMatern

GeneralizedMatern 포지티브 semidefinite 커널 일반화 MaternOneHalf , MAterhThreeHalves 및 MaternFiveHalves .

gm = tfpk.GeneralizedMatern(df=[0.5, 1.5, 2.5], length_scale=1., amplitude=0.5)
m1 = tfpk.MaternOneHalf(length_scale=1., amplitude=0.5)
m2 = tfpk.MaternThreeHalves(length_scale=1., amplitude=0.5)
m3 = tfpk.MaternFiveHalves(length_scale=1., amplitude=0.5)
xs = tf.linspace(-1.5, 1.5, 100)

gm_matrix = gm.matrix([[0.]], xs[..., tf.newaxis])
plt.plot(xs, gm_matrix[0][0])
plt.plot(xs, m1.matrix([[0.]], xs[..., tf.newaxis])[0])
plt.show()
plt.plot(xs, gm_matrix[1][0])
plt.plot(xs, m2.matrix([[0.]], xs[..., tf.newaxis])[0])
plt.show()
plt.plot(xs, gm_matrix[2][0])
plt.plot(xs, m3.matrix([[0.]], xs[..., tf.newaxis])[0])
plt.show()

Parabolic (Epanechnikov)

epa = tfpk.Parabolic()
xs = tf.linspace(-1.05, 1.05, 100)
plt.plot(xs, epa.matrix([[0.]], xs[..., tf.newaxis])[0]);

VI

build_asvi_surrogate_posterior

이전 분포의 그래픽 구조를 통합하는 방식으로 VI에 대한 구조화된 사후 사후 구성을 자동으로 구성합니다. 이것은 자동 추론 구조화 변분 (논문에 기재된 방법을 이용 https://arxiv.org/abs/2002.00643 )를.

# Import a Brownian Motion model from TFP's inference gym.
model = gym.targets.BrownianMotionMissingMiddleObservations()
prior = model.prior_distribution()
ground_truth = ground_truth = model.sample_transformations['identity'].ground_truth_mean
target_log_prob = lambda *values: model.log_likelihood(values) + prior.log_prob(values)

이것은 가우스 관측 모델을 사용하여 브라운 운동 과정을 모델링합니다. 30개의 시간 단계로 구성되어 있지만 중간 10개의 시간 단계는 관찰할 수 없습니다.

  locs[0] ~ Normal(loc=0, scale=innovation_noise_scale)
  for t in range(1, num_timesteps):
    locs[t] ~ Normal(loc=locs[t - 1], scale=innovation_noise_scale)

  for t in range(num_timesteps):
    observed_locs[t] ~ Normal(loc=locs[t], scale=observation_noise_scale)

목표는의 값을 추론하는 것입니다 locs 시끄러운 관찰 (에서 observed_locs ). 중간 시간 단계 (10)가 관측되므로 observed_locs 있다 NaN 시간 단계 [10,19]에서 값.

# The observed loc values in the Brownian Motion inference gym model
OBSERVED_LOC = np.array([
    0.21592641, 0.118771404, -0.07945447, 0.037677474, -0.27885845, -0.1484156,
    -0.3250906, -0.22957903, -0.44110894, -0.09830782, np.nan, np.nan, np.nan,
    np.nan, np.nan, np.nan, np.nan, np.nan, np.nan, np.nan, -0.8786016,
    -0.83736074, -0.7384849, -0.8939254, -0.7774566, -0.70238715, -0.87771565,
    -0.51853573, -0.6948214, -0.6202789
]).astype(dtype=np.float32)

# Plot the prior and the likelihood observations
plt.figure()
plt.title('Brownian Motion Prior Samples and Observations')

num_samples = 15
prior_samples = prior.sample(num_samples)

plt.plot(prior_samples, c='blue', alpha=0.1)
plt.plot(prior_samples[0][0], label="Prior Samples", c='blue', alpha=0.1)

plt.scatter(x=range(30),y=OBSERVED_LOC, c='black', alpha=0.5, label="Observations")

plt.legend(bbox_to_anchor=(1.05, 1), borderaxespad=0.);

logging.getLogger('tensorflow').setLevel(logging.ERROR)  # suppress pfor warnings

# Construct and train an ASVI Surrogate Posterior.
asvi_surrogate_posterior = tfp.experimental.vi.build_asvi_surrogate_posterior(prior)

asvi_losses = tfp.vi.fit_surrogate_posterior(target_log_prob,
                                        asvi_surrogate_posterior,
                                        optimizer=tf.optimizers.Adam(learning_rate=0.1),
                                        num_steps=500)
logging.getLogger('tensorflow').setLevel(logging.NOTSET)

# Construct and train a Mean-Field Surrogate Posterior.
factored_surrogate_posterior = tfp.experimental.vi.build_factored_surrogate_posterior(event_shape=prior.event_shape)

factored_losses = tfp.vi.fit_surrogate_posterior(target_log_prob,
                                        factored_surrogate_posterior,
                                        optimizer=tf.optimizers.Adam(learning_rate=0.1),
                                        num_steps=500)

logging.getLogger('tensorflow').setLevel(logging.ERROR)  # suppress pfor warnings

# Sample from the posteriors.
asvi_posterior_samples = asvi_surrogate_posterior.sample(num_samples)
factored_posterior_samples = factored_surrogate_posterior.sample(num_samples)

logging.getLogger('tensorflow').setLevel(logging.NOTSET)

ASVI와 평균 필드 대리 사후 분포는 모두 수렴되었으며 ASVI 대리 사후 분포는 최종 손실이 더 낮았습니다(음의 ELBO 값).

# Plot the loss curves.
plt.figure()
plt.title('Loss Curves for ASVI vs Mean-Field Surrogate Posteriors')

plt.plot(asvi_losses, c='orange', label='ASVI', alpha = 0.4)
plt.plot(factored_losses, c='green', label='Mean-Field', alpha = 0.4)
plt.ylim(-50, 300)

plt.legend(bbox_to_anchor=(1.3, 1), borderaxespad=0.);

사후 분석의 샘플은 ASVI 대리 사후 분석이 관찰 없이 시간 단계에 대한 불확실성을 얼마나 잘 포착하는지 강조합니다. 반면에 mean-field surrogate 사후는 진정한 불확실성을 포착하기 위해 고군분투합니다.

# Plot samples from the ASVI and Mean-Field Surrogate Posteriors.
plt.figure()
plt.title('Posterior Samples from ASVI vs Mean-Field Surrogate Posterior')

plt.plot(asvi_posterior_samples, c='orange', alpha = 0.25)
plt.plot(asvi_posterior_samples[0][0], label='ASVI Surrogate Posterior', c='orange', alpha = 0.25)

plt.plot(factored_posterior_samples, c='green', alpha = 0.25)
plt.plot(factored_posterior_samples[0][0], label='Mean-Field Surrogate Posterior', c='green', alpha = 0.25)

plt.scatter(x=range(30),y=OBSERVED_LOC, c='black', alpha=0.5, label='Observations')

plt.plot(ground_truth, c='black', label='Ground Truth')

plt.legend(bbox_to_anchor=(1.585, 1), borderaxespad=0.);

MCMC

ProgressBarReducer

샘플러의 진행 상황을 시각화합니다. (명목상의 성능 저하가 있을 수 있으며 현재 JIT 컴파일에서 지원되지 않습니다.)

kernel = tfp.mcmc.HamiltonianMonteCarlo(lambda x: -x**2 / 2, .05, 20)
pbar = tfp.experimental.mcmc.ProgressBarReducer(100)
kernel = tfp.experimental.mcmc.WithReductions(kernel, pbar)
plt.hist(tf.reshape(tfp.mcmc.sample_chain(100, current_state=tf.ones([128]), kernel=kernel, trace_fn=None), [-1]), bins='auto')
pbar.bar.close()

99%|█████████▉| 99/100 [00:03<00:00, 27.37it/s]

sample_sequential_monte_carlo 재현성 샘플링을 지원

initial_state = tf.random.uniform([4096], -2., 2.)
def smc(seed):
  return tfp.experimental.mcmc.sample_sequential_monte_carlo(
    prior_log_prob_fn=lambda x: -x**2 / 2,
    likelihood_log_prob_fn=lambda x: -(x-1.)**2 / 2,
    current_state=initial_state,
    seed=seed)[1]
plt.hist(smc(seed=(12, 34)), bins='auto');plt.show()

print(smc(seed=(12, 34))[:10])
print('different:', smc(seed=(10, 20))[:10])
print('same:', smc(seed=(12, 34))[:10])

tf.Tensor(
[ 0.665834    0.9892149   0.7961128   1.0016634  -1.000767   -0.19461267
  1.3070581   1.127177    0.9940303   0.58239716], shape=(10,), dtype=float32)
different: tf.Tensor(
[ 1.3284367   0.4374407   1.1349089   0.4557473   0.06510283 -0.08954388
  1.1735026   0.8170528   0.12443061  0.34413314], shape=(10,), dtype=float32)
same: tf.Tensor(
[ 0.665834    0.9892149   0.7961128   1.0016634  -1.000767   -0.19461267
  1.3070581   1.127177    0.9940303   0.58239716], shape=(10,), dtype=float32)

분산, 공분산, Rhat의 스트리밍 계산 추가

참고 이들에 대한 인터페이스는 다소 변경 tfp-nightly .

def cov_to_ellipse(t, cov, mean):
  """Draw a one standard deviation ellipse from the mean, according to cov."""
  diag = tf.linalg.diag_part(cov)
  a = 0.5 * tf.reduce_sum(diag)
  b = tf.sqrt(0.25 * (diag[0] - diag[1])**2 + cov[0, 1]**2)
  major = a + b
  minor = a - b
  theta = tf.math.atan2(major - cov[0, 0], cov[0, 1])
  x = (tf.sqrt(major) * tf.cos(theta) * tf.cos(t) -
       tf.sqrt(minor) * tf.sin(theta) * tf.sin(t))
  y = (tf.sqrt(major) * tf.sin(theta) * tf.cos(t) +
       tf.sqrt(minor) * tf.cos(theta) * tf.sin(t))
  return x + mean[0], y + mean[1]

fig, axes = plt.subplots(nrows=4, ncols=5, figsize=(14, 8), 
                         sharex=True, sharey=True, constrained_layout=True)
t = tf.linspace(0., 2 * np.pi, 200)
tot = 10
cov = 0.1 * tf.eye(2) + 0.9 * tf.ones([2, 2])
mvn = tfd.MultivariateNormalTriL(loc=[1., 2.],
                                 scale_tril=tf.linalg.cholesky(cov))

for ax in axes.ravel():
  rv = tfp.experimental.stats.RunningCovariance(
      num_samples=0., mean=tf.zeros(2), sum_squared_residuals=tf.zeros((2, 2)),
      event_ndims=1)

  for idx, x in enumerate(mvn.sample(tot)):
    rv = rv.update(x)
    ax.plot(*cov_to_ellipse(t, rv.covariance(), rv.mean),
            color='k', alpha=(idx + 1) / tot)
  ax.plot(*cov_to_ellipse(t, mvn.covariance(), mvn.mean()), 'r')
fig.suptitle("Twenty tries to approximate the red covariance with 10 draws");

수학, 통계

베셀 함수: ive, kve, log-ive

xs = tf.linspace(0.5, 20., 100)
ys = tfp.math.bessel_ive([[0.5], [1.], [np.pi], [4.]], xs)
zs = tfp.math.bessel_kve([[0.5], [1.], [2.], [np.pi]], xs)

for i in range(4):
  plt.plot(xs, ys[i])
plt.show()

for i in range(4):
  plt.plot(xs, zs[i])
plt.show()

옵션 weights 에 arg를 tfp.stats.histogram

edges = tf.linspace(-4., 4, 31)
samps = tfd.TruncatedNormal(0, 1, -4, 4).sample(100_000, seed=(123, 456))
_, (ax1, ax2) = plt.subplots(1, 2, figsize=(10, 3))
ax1.bar(edges[:-1], tfp.stats.histogram(samps, edges))
ax1.set_title('samples histogram')
ax2.bar(edges[:-1], tfp.stats.histogram(samps, edges, weights=1 / tfd.Normal(0, 1).prob(samps)))
ax2.set_title('samples, weighted by inverse p(sample)');

tfp.math.erfcinv

x = tf.linspace(-3., 3., 10)
y = tf.math.erfc(x)
z = tfp.math.erfcinv(y)
print(x)
print(z)

tf.Tensor(
[-3.         -2.3333333  -1.6666666  -1.         -0.33333325  0.3333335

  1.          1.666667    2.3333335   3.        ], shape=(10,), dtype=float32)
tf.Tensor(
[-3.0002644  -2.3333426  -1.6666666  -0.9999997  -0.3333332   0.33333346
  0.9999999   1.6666667   2.3333335   3.0000002 ], shape=(10,), dtype=float32)