def get_sampler(args):
data_dim = np.prod(args.input_size)
if args.input_type == "binary":
if args.sampler == "gibbs":
sampler = samplers.PerDimGibbsSampler(data_dim, rand=False)
elif args.sampler == "rand_gibbs":
sampler = samplers.PerDimGibbsSampler(data_dim, rand=True)
elif args.sampler.startswith("bg-"):
block_size = int(args.sampler.split('-')[1])
sampler = block_samplers.BlockGibbsSampler(data_dim, block_size)
elif args.sampler.startswith("hb-"):
block_size, hamming_dist = [int(v) for v in args.sampler.split('-')[1:]]
sampler = block_samplers.HammingBallSampler(data_dim, block_size, hamming_dist)
elif args.sampler == "gwg":
sampler = samplers.DiffSampler(data_dim, 1,
fixed_proposal=False, approx=True, multi_hop=False, temp=2.)
elif args.sampler.startswith("gwg-"):
n_hops = int(args.sampler.split('-')[1])
sampler = samplers.MultiDiffSampler(data_dim, 1, approx=True, temp=2., n_samples=n_hops)
else:
raise ValueError("Invalid sampler...")
else:
if args.sampler == "gibbs":
sampler = samplers.PerDimMetropolisSampler(data_dim, int(args.n_out), rand=False)
elif args.sampler == "rand_gibbs":
sampler = samplers.PerDimMetropolisSampler(data_dim, int(args.n_out), rand=True)
elif args.sampler == "gwg":
sampler = samplers.DiffSamplerMultiDim(data_dim, 1, approx=True, temp=2.)
else:
raise ValueError("invalid sampler")
return sampler
def main(args):
makedirs(args.save_dir)
torch.manual_seed(args.seed)
np.random.seed(args.seed)
model = rbm.LatticePottsModel(int(args.dim), int(args.n_out), args.sigma,
args.bias)
model.to(device)
print(device)
if args.n_out == 3:
plot = lambda p, x: torchvision.utils.save_image(
x.view(x.size(0), args.dim, args.dim, 3).transpose(3, 1),
p,
normalize=False,
nrow=int(x.size(0)**.5))
else:
plot = None
ess_samples = model.init_sample(args.n_samples).to(device)
hops = {}
ess = {}
times = {}
chains = {}
temps = ['dim-gibbs', 'rand-gibbs', 'gwg']
for temp in temps:
if temp == 'dim-gibbs':
sampler = samplers.PerDimMetropolisSampler(args.dim**2, args.n_out)
elif temp == "rand-gibbs":
sampler = samplers.PerDimMetropolisSampler(args.dim**2,
args.n_out,
rand=True)
elif "bg-" in temp:
block_size = int(temp.split('-')[1])
sampler = block_samplers.BlockGibbsSampler(model.data_dim,
block_size)
elif "hb-" in temp:
block_size, hamming_dist = [int(v) for v in temp.split('-')[1:]]
sampler = block_samplers.HammingBallSampler(
model.data_dim, block_size, hamming_dist)
elif temp == "gwg":
sampler = samplers.DiffSamplerMultiDim(args.dim**2,
1,
approx=True,
temp=2.)
elif "gwg-" in temp:
n_hops = int(temp.split('-')[1])
sampler = samplers.MultiDiffSampler(model.data_dim,
1,
approx=True,
temp=2.,
n_samples=n_hops)
else:
raise ValueError("Invalid sampler...")
x = model.init_dist.sample((args.n_test_samples, )).to(device)
times[temp] = []
hops[temp] = []
chain = []
cur_time = 0.
for i in range(args.n_steps):
# do sampling and time it
st = time.time()
xhat = sampler.step(x.detach(), model).detach()
cur_time += time.time() - st
# compute hamming dist
cur_hops = (x != xhat).float().view(x.size(0),
-1).sum(-1).mean().item()
# update trajectory
x = xhat
if i % args.subsample == 0:
if args.ess_statistic == "dims":
chain.append(x.cpu()[0].view(-1).numpy()[None])
else:
xc = x[0][None]
h = (xc != ess_samples).float().view(
ess_samples.size(0), -1).sum(-1)
chain.append(h.detach().cpu().numpy()[None])
if i % args.viz_every == 0 and plot is not None:
plot(
"/{}/temp_{}_samples_{}.png".format(
args.save_dir, temp, i), x)
if i % args.print_every == 0:
times[temp].append(cur_time)
hops[temp].append(cur_hops)
print("temp {}, itr = {}, hop-dist = {:.4f}".format(
temp, i, cur_hops))
chain = np.concatenate(chain, 0)
chains[temp] = chain
ess[temp] = get_ess(chain, args.burn_in)
print("ess = {} +/- {}".format(ess[temp].mean(), ess[temp].std()))
ess_temps = temps
plt.clf()
plt.boxplot([ess[temp] for temp in ess_temps],
labels=ess_temps,
showfliers=False)
plt.savefig("{}/ess.png".format(args.save_dir))
plt.clf()
plt.boxplot([
ess[temp] / times[temp][-1] / (1. - args.burn_in) for temp in ess_temps
],
labels=ess_temps,
showfliers=False)
plt.savefig("{}/ess_per_sec.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(hops[temp], label="{}".format(temp))
plt.legend()
plt.savefig("{}/hops.png".format(args.save_dir))
for temp in temps:
plt.clf()
plt.plot(chains[temp][:, 0])
plt.savefig("{}/trace_{}.png".format(args.save_dir, temp))
with open("{}/results.pkl".format(args.save_dir), 'wb') as f:
results = {'ess': ess, 'hops': hops, 'chains': chains}
pickle.dump(results, f)
def main(args):
makedirs("{}/sources".format(args.save_dir))
torch.manual_seed(args.seed)
np.random.seed(args.seed)
W = args.W_init_sigma * torch.randn((args.K,))
W0 = args.W_init_sigma * torch.randn((1,))
p = args.X_keep_prob * torch.ones((args.K,))
v = args.X0_mean * torch.ones((args.K,))
model = fhmm.FHMM(args.N, args.K, W, W0, args.obs_sigma, p, v, alt_logpx=args.alt)
model.to(device)
print("device is", device)
# generate data
Xgt = model.sample_X(1)
p_y_given_Xgt = model.p_y_given_x(Xgt)
mu = p_y_given_Xgt.loc
mu_true = mu[0]
plt.clf()
plt.plot(mu_true.detach().cpu().numpy(), label="mean")
ygt = p_y_given_Xgt.sample()[0]
plt.plot(ygt.detach().cpu().numpy(), label='sample')
plt.legend()
plt.savefig("{}/data.png".format(args.save_dir))
ygt = ygt.to(device)
for k in range(args.K):
plt.clf()
plt.plot(Xgt[0, :, k].detach().cpu().numpy())
plt.savefig("{}/sources/x_{}.png".format(args.save_dir, k))
logp_joint_real = model.log_p_joint(ygt, Xgt).item()
print("joint likelihood of real data is {}".format(logp_joint_real))
log_joints = {}
diffs = {}
times = {}
recons = {}
ars = {}
hops = {}
phops = {}
mus = {}
dim = args.K * args.N
x_init = model.sample_X(args.n_test_samples).to(device)
samp_model = lambda _x: model.log_p_joint(ygt, _x)
temps = ['bg-1', 'bg-2', 'hb-10-1', 'gwg', 'gwg-3', 'gwg-5']
for temp in temps:
makedirs("{}/{}".format(args.save_dir, temp))
if temp == 'dim-gibbs':
sampler = samplers.PerDimGibbsSampler(dim)
elif temp == "rand-gibbs":
sampler = samplers.PerDimGibbsSampler(dim, rand=True)
elif "bg-" in temp:
block_size = int(temp.split('-')[1])
sampler = block_samplers.BlockGibbsSampler(dim, block_size)
elif "hb-" in temp:
block_size, hamming_dist = [int(v) for v in temp.split('-')[1:]]
sampler = block_samplers.HammingBallSampler(dim, block_size, hamming_dist)
elif temp == "gwg":
sampler = samplers.DiffSampler(dim, 1,
fixed_proposal=False, approx=True, multi_hop=False, temp=2.)
elif "gwg-" in temp:
n_hops = int(temp.split('-')[1])
sampler = samplers.MultiDiffSampler(dim, 1,
approx=True, temp=2., n_samples=n_hops)
else:
raise ValueError("Invalid sampler...")
x = x_init.clone().view(x_init.size(0), -1)
diffs[temp] = []
log_joints[temp] = []
ars[temp] = []
hops[temp] = []
phops[temp] = []
recons[temp] = []
start_time = time.time()
for i in range(args.n_steps + 1):
if args.anneal is None:
sm = samp_model
else:
s = np.linspace(args.anneal, args.obs_sigma, args.n_steps + 1)[i]
sm = lambda _x: model.log_p_joint(ygt, _x, sigma=s)
xhat = sampler.step(x.detach(), sm).detach()
# compute hamming dist
cur_hops = (x != xhat).float().sum(-1).mean().item()
# update trajectory
x = xhat
if i % 1000 == 0:
p_y_given_x = model.p_y_given_x(x)
mu = p_y_given_x.loc
plt.clf()
plt.plot(mu_true.detach().cpu().numpy(), label="true")
plt.plot(mu[0].detach().cpu().numpy() + .01, label='mu0')
plt.plot(mu[1].detach().cpu().numpy() - .01, label='mu1')
plt.legend()
plt.savefig("{}/{}/mean_{}.png".format(args.save_dir, temp, i))
mus[temp] = mu[0].detach().cpu().numpy()
if i % 10 == 0:
p_y_given_x = model.p_y_given_x(x)
mu = p_y_given_x.loc
err = ((mu - ygt[None]) ** 2).sum(1).mean()
recons[temp].append(err.item())
log_j = model.log_p_joint(ygt, x)
diff = (x.view(x.size(0), args.N, args.K) != Xgt).float().view(x.size(0), -1).mean(1)
log_joints[temp].append(log_j.mean().item())
diffs[temp].append(diff.mean().item())
hops[temp].append(cur_hops)
print("temp {}, itr = {}, log-joint = {:.4f}, "
"hop-dist = {:.4f}, recons = {:.4f}".format(temp, i, log_j.mean().item(), cur_hops, err.item()))
for k in range(args.K):
plt.clf()
xr = x.view(x.size(0), args.N, args.K)
plt.plot(xr[0, :, k].detach().cpu().numpy())
plt.savefig("{}/{}/source_{}.png".format(args.save_dir, temp, k))
times[temp] = time.time() - start_time
plt.clf()
for temp in temps:
plt.plot(log_joints[temp], label=temp)
plt.plot([logp_joint_real for _ in log_joints[temp]], label="true")
plt.legend()
plt.savefig("{}/joints.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(recons[temp], label=temp)
plt.legend()
plt.savefig("{}/recons.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(diffs[temp], label=temp)
plt.legend()
plt.savefig("{}/errs.png".format(args.save_dir))
plt.clf()
for i, temp in enumerate(temps):
plt.plot(mus[temp] + float(i) * .01, label=temp)
plt.plot(mu_true.detach().cpu().numpy(), label="true")
plt.legend()
plt.savefig("{}/mean.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(hops[temp], label="{}".format(temp))
plt.legend()
plt.savefig("{}/hops.png".format(args.save_dir))
with open("{}/results.pkl".format(args.save_dir), 'wb') as f:
results = {
'hops': hops,
'recons': recons,
'joints': log_joints,
}
pickle.dump(results, f)
def main(args):
makedirs(args.save_dir)
logger = open("{}/log.txt".format(args.save_dir), 'w')
def my_print(s):
print(s)
logger.write(str(s) + '\n')
torch.manual_seed(args.seed)
np.random.seed(args.seed)
# load existing data
if args.data == "synthetic":
train_loader, test_loader, data, ground_truth_J, ground_truth_h, ground_truth_C = utils.load_synthetic(
args.data_file, args.batch_size)
dim, n_out = data.size()[1:]
ground_truth_J_norm = norm_J(ground_truth_J).to(device)
matsave(ground_truth_J.abs().transpose(2, 1).reshape(dim * n_out, dim * n_out),
"{}/ground_truth_J.png".format(args.save_dir))
matsave(ground_truth_C, "{}/ground_truth_C.png".format(args.save_dir))
matsave(ground_truth_J_norm, "{}/ground_truth_J_norm.png".format(args.save_dir))
num_ecs = 120
dm_indices = torch.arange(ground_truth_J_norm.size(0)).long()
# generate the dataset
elif args.data == "PF00018":
train_loader, test_loader, data, num_ecs, ground_truth_J_norm, ground_truth_C = utils.load_ingraham(args)
dim, n_out = data.size()[1:]
ground_truth_J_norm = ground_truth_J_norm.to(device)
matsave(ground_truth_C, "{}/ground_truth_C.png".format(args.save_dir))
matsave(ground_truth_J_norm, "{}/ground_truth_dists.png".format(args.save_dir))
dm_indices = torch.arange(ground_truth_J_norm.size(0)).long()
else:
train_loader, test_loader, data, num_ecs, ground_truth_J_norm, ground_truth_C, dm_indices = utils.load_real_protein(args)
dim, n_out = data.size()[1:]
ground_truth_J_norm = ground_truth_J_norm.to(device)
matsave(ground_truth_C, "{}/ground_truth_C.png".format(args.save_dir))
matsave(ground_truth_J_norm, "{}/ground_truth_dists.png".format(args.save_dir))
if args.model == "lattice_potts":
model = rbm.LatticePottsModel(int(args.dim), int(n_out), 0., 0., learn_sigma=True)
buffer = model.init_sample(args.buffer_size)
if args.model == "dense_potts":
model = rbm.DensePottsModel(dim, n_out, learn_J=True, learn_bias=True)
buffer = model.init_sample(args.buffer_size)
elif args.model == "dense_ising":
raise ValueError
elif args.model == "mlp":
raise ValueError
model.to(device)
# make G symmetric
def get_J():
j = model.J
jt = j.transpose(0, 1).transpose(2, 3)
return (j + jt) / 2
def get_J_sub():
j = get_J()
j_sub = j[dm_indices, :][:, dm_indices]
return j_sub
if args.sampler == "gibbs":
if "potts" in args.model:
sampler = samplers.PerDimMetropolisSampler(dim, int(n_out), rand=False)
else:
sampler = samplers.PerDimGibbsSampler(dim, rand=False)
elif args.sampler == "plm":
sampler = samplers.PerDimMetropolisSampler(dim, int(n_out), rand=False)
elif args.sampler == "rand_gibbs":
if "potts" in args.model:
sampler = samplers.PerDimMetropolisSampler(dim, int(n_out), rand=True)
else:
sampler = samplers.PerDimGibbsSampler(dim, rand=True)
elif args.sampler == "gwg":
if "potts" in args.model:
sampler = samplers.DiffSamplerMultiDim(dim, 1, approx=True, temp=2.)
else:
sampler = samplers.DiffSampler(dim, 1, approx=True, fixed_proposal=False, temp=2.)
else:
assert "gwg-" in args.sampler
n_hop = int(args.sampler.split('-')[1])
if "potts" in args.model:
raise ValueError
else:
sampler = samplers.MultiDiffSampler(model.data_dim, 1, approx=True, temp=2., n_samples=n_hop)
my_print(device)
my_print(model)
my_print(buffer.size())
my_print(sampler)
optimizer = torch.optim.Adam(model.parameters(), lr=args.lr, weight_decay=args.weight_decay)
# load ckpt
if args.ckpt_path is not None:
d = torch.load(args.ckpt_path)
model.load_state_dict(d['model'])
optimizer.load_state_dict(d['optimizer'])
sampler.load_state_dict(d['sampler'])
# mask matrix for PLM
L, D = model.J.size(0), model.J.size(2)
num_node = L * D
J_mask = torch.ones((num_node, num_node)).to(device)
for i in range(L):
J_mask[D * i:D * i + D, D * i:D * i + D] = 0
itr = 0
sq_errs = []
rmses = []
all_inds = list(range(args.buffer_size))
while itr < args.n_iters:
for x in train_loader:
if args.data == "synthetic":
x = x[0].to(device)
weights = torch.ones((x.size(0),)).to(device)
else:
weights = x[1].to(device)
if args.unweighted:
weights = torch.ones_like(weights)
x = x[0].to(device)
if args.sampler == "plm":
plm_J = model.J.transpose(2, 1).reshape(dim * n_out, dim * n_out)
logits = torch.matmul(x.view(x.size(0), -1), plm_J * J_mask) + model.bias.view(-1)[None]
x_inds = (torch.arange(x.size(-1))[None, None].to(x.device) * x).sum(-1)
cross_entropy = nn.functional.cross_entropy(
input=logits.reshape((-1, D)),
target=x_inds.view(-1).long(),
reduce=False)
cross_entropy = torch.sum(cross_entropy.reshape((-1, L)), -1)
loss = (cross_entropy * weights).mean()
else:
buffer_inds = np.random.choice(all_inds, args.batch_size, replace=False)
x_fake = buffer[buffer_inds].to(device)
for k in range(args.sampling_steps):
x_fake = sampler.step(x_fake.detach(), model).detach()
buffer[buffer_inds] = x_fake.detach().cpu()
logp_real = (model(x).squeeze() * weights).mean()
logp_fake = model(x_fake).squeeze().mean()
obj = logp_real - logp_fake
loss = -obj
# add l1 reg
loss += args.l1 * norm_J(get_J()).sum()
optimizer.zero_grad()
loss.backward()
optimizer.step()
if itr % args.print_every == 0:
if args.sampler == "plm":
my_print("({}) loss = {:.4f}".format(itr, loss.item()))
else:
my_print("({}) log p(real) = {:.4f}, log p(fake) = {:.4f}, diff = {:.4f}, hops = {:.4f}".format(itr,
logp_real.item(),
logp_fake.item(),
obj.item(),
sampler._hops))
sq_err = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).sum()
rmse = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).mean().sqrt()
inds = torch.triu_indices(ground_truth_C.size(0), ground_truth_C.size(1), 1)
C_inds = ground_truth_C[inds[0], inds[1]]
J_inds = norm_J(get_J_sub())[inds[0], inds[1]]
J_inds_sorted = torch.sort(J_inds, descending=True).indices
C_inds_sorted = C_inds[J_inds_sorted]
C_cumsum = C_inds_sorted.cumsum(0)
arange = torch.arange(C_cumsum.size(0)) + 1
acc_at = C_cumsum.float() / arange.float()
my_print("\t err^2 = {:.4f}, rmse = {:.4f}, acc @ 50 = {:.4f}, acc @ 75 = {:.4f}, acc @ 100 = {:.4f}".format(sq_err, rmse,
acc_at[50],
acc_at[75],
acc_at[100]))
logger.flush()
if itr % args.viz_every == 0:
sq_err = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).sum()
rmse = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).mean().sqrt()
sq_errs.append(sq_err.item())
plt.clf()
plt.plot(sq_errs, label="sq_err")
plt.legend()
plt.savefig("{}/sq_err.png".format(args.save_dir))
rmses.append(rmse.item())
plt.clf()
plt.plot(rmses, label="rmse")
plt.legend()
plt.savefig("{}/rmse.png".format(args.save_dir))
matsave(get_J_sub().abs().transpose(2, 1).reshape(dm_indices.size(0) * n_out,
dm_indices.size(0) * n_out),
"{}/model_J_{}_sub.png".format(args.save_dir, itr))
matsave(norm_J(get_J_sub()), "{}/model_J_norm_{}_sub.png".format(args.save_dir, itr))
matsave(get_J().abs().transpose(2, 1).reshape(dim * n_out, dim * n_out),
"{}/model_J_{}.png".format(args.save_dir, itr))
matsave(norm_J(get_J()), "{}/model_J_norm_{}.png".format(args.save_dir, itr))
inds = torch.triu_indices(ground_truth_C.size(0), ground_truth_C.size(1), 1)
C_inds = ground_truth_C[inds[0], inds[1]]
J_inds = norm_J(get_J_sub())[inds[0], inds[1]]
J_inds_sorted = torch.sort(J_inds, descending=True).indices
C_inds_sorted = C_inds[J_inds_sorted]
C_cumsum = C_inds_sorted.cumsum(0)
arange = torch.arange(C_cumsum.size(0)) + 1
acc_at = C_cumsum.float() / arange.float()
plt.clf()
plt.plot(acc_at[:num_ecs].detach().cpu().numpy())
plt.savefig("{}/acc_at_{}.png".format(args.save_dir, itr))
if itr % args.ckpt_every == 0:
my_print("Saving checkpoint to {}/ckpt.pt".format(args.save_dir))
torch.save({
"model": model.state_dict(),
"optimizer": optimizer.state_dict(),
"sampler": sampler.state_dict()
}, "{}/ckpt.pt".format(args.save_dir))
itr += 1
if itr > args.n_iters:
sq_err = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).sum()
rmse = ((ground_truth_J_norm - norm_J(get_J_sub())) ** 2).mean().sqrt()
with open("{}/sq_err.txt".format(args.save_dir), 'w') as f:
f.write(str(sq_err))
with open("{}/rmse.txt".format(args.save_dir), 'w') as f:
f.write(str(rmse))
torch.save({
"model": model.state_dict(),
"optimizer": optimizer.state_dict(),
"sampler": sampler.state_dict()
}, "{}/ckpt.pt".format(args.save_dir))
quit()
def main(args):
makedirs(args.save_dir)
torch.manual_seed(args.seed)
np.random.seed(args.seed)
model = rbm.BernoulliRBM(args.n_visible, args.n_hidden)
model.to(device)
print(device)
if args.data == "mnist":
assert args.n_visible == 784
train_loader, test_loader, plot, viz = utils.get_data(args)
init_data = []
for x, _ in train_loader:
init_data.append(x)
init_data = torch.cat(init_data, 0)
init_mean = init_data.mean(0).clamp(.01, .99)
model = rbm.BernoulliRBM(args.n_visible,
args.n_hidden,
data_mean=init_mean)
model.to(device)
optimizer = torch.optim.Adam(model.parameters(), lr=args.rbm_lr)
# train!
itr = 0
for x, _ in train_loader:
x = x.to(device)
xhat = model.gibbs_sample(v=x, n_steps=args.cd)
d = model.logp_v_unnorm(x)
m = model.logp_v_unnorm(xhat)
obj = d - m
loss = -obj.mean()
optimizer.zero_grad()
loss.backward()
optimizer.step()
if itr % args.print_every == 0:
print(
"{} | log p(data) = {:.4f}, log p(model) = {:.4f}, diff = {:.4f}"
.format(itr, d.mean(), m.mean(), (d - m).mean()))
else:
model.W.data = torch.randn_like(model.W.data) * (.05**.5)
model.b_v.data = torch.randn_like(model.b_v.data) * 1.0
model.b_h.data = torch.randn_like(model.b_h.data) * 1.0
viz = plot = None
gt_samples = model.gibbs_sample(n_steps=args.gt_steps,
n_samples=args.n_samples +
args.n_test_samples,
plot=True)
kmmd = mmd.MMD(mmd.exp_avg_hamming, False)
gt_samples, gt_samples2 = gt_samples[:args.n_samples], gt_samples[
args.n_samples:]
if plot is not None:
plot("{}/ground_truth.png".format(args.save_dir), gt_samples2)
opt_stat = kmmd.compute_mmd(gt_samples2, gt_samples)
print("gt <--> gt log-mmd", opt_stat, opt_stat.log10())
new_samples = model.gibbs_sample(n_steps=0, n_samples=args.n_test_samples)
log_mmds = {}
log_mmds['gibbs'] = []
ars = {}
hops = {}
ess = {}
times = {}
chains = {}
chain = []
times['gibbs'] = []
start_time = time.time()
for i in range(args.n_steps):
if i % args.print_every == 0:
stat = kmmd.compute_mmd(new_samples, gt_samples)
log_stat = stat.log10().item()
log_mmds['gibbs'].append(log_stat)
print("gibbs", i, stat, stat.log10())
times['gibbs'].append(time.time() - start_time)
new_samples = model.gibbs_sample(new_samples, 1)
if i % args.subsample == 0:
if args.ess_statistic == "dims":
chain.append(new_samples.cpu().numpy()[0][None])
else:
xc = new_samples[0][None]
h = (xc != gt_samples).float().sum(-1)
chain.append(h.detach().cpu().numpy()[None])
chain = np.concatenate(chain, 0)
chains['gibbs'] = chain
ess['gibbs'] = get_ess(chain, args.burn_in)
print("ess = {} +/- {}".format(ess['gibbs'].mean(), ess['gibbs'].std()))
temps = ['bg-1', 'bg-2', 'hb-10-1', 'gwg', 'gwg-3', 'gwg-5']
for temp in temps:
if temp == 'dim-gibbs':
sampler = samplers.PerDimGibbsSampler(args.n_visible)
elif temp == "rand-gibbs":
sampler = samplers.PerDimGibbsSampler(args.n_visible, rand=True)
elif "bg-" in temp:
block_size = int(temp.split('-')[1])
sampler = block_samplers.BlockGibbsSampler(args.n_visible,
block_size)
elif "hb-" in temp:
block_size, hamming_dist = [int(v) for v in temp.split('-')[1:]]
sampler = block_samplers.HammingBallSampler(
args.n_visible, block_size, hamming_dist)
elif temp == "gwg":
sampler = samplers.DiffSampler(args.n_visible,
1,
fixed_proposal=False,
approx=True,
multi_hop=False,
temp=2.)
elif "gwg-" in temp:
n_hops = int(temp.split('-')[1])
sampler = samplers.MultiDiffSampler(args.n_visible,
1,
approx=True,
temp=2.,
n_samples=n_hops)
else:
raise ValueError("Invalid sampler...")
x = model.init_dist.sample((args.n_test_samples, )).to(device)
log_mmds[temp] = []
ars[temp] = []
hops[temp] = []
times[temp] = []
chain = []
cur_time = 0.
for i in range(args.n_steps):
# do sampling and time it
st = time.time()
xhat = sampler.step(x.detach(), model).detach()
cur_time += time.time() - st
# compute hamming dist
cur_hops = (x != xhat).float().sum(-1).mean().item()
# update trajectory
x = xhat
if i % args.subsample == 0:
if args.ess_statistic == "dims":
chain.append(x.cpu().numpy()[0][None])
else:
xc = x[0][None]
h = (xc != gt_samples).float().sum(-1)
chain.append(h.detach().cpu().numpy()[None])
if i % args.viz_every == 0 and plot is not None:
plot(
"/{}/temp_{}_samples_{}.png".format(
args.save_dir, temp, i), x)
if i % args.print_every == 0:
hard_samples = x
stat = kmmd.compute_mmd(hard_samples, gt_samples)
log_stat = stat.log10().item()
log_mmds[temp].append(log_stat)
times[temp].append(cur_time)
hops[temp].append(cur_hops)
print("temp {}, itr = {}, log-mmd = {:.4f}, hop-dist = {:.4f}".
format(temp, i, log_stat, cur_hops))
chain = np.concatenate(chain, 0)
ess[temp] = get_ess(chain, args.burn_in)
chains[temp] = chain
print("ess = {} +/- {}".format(ess[temp].mean(), ess[temp].std()))
ess_temps = temps
plt.clf()
plt.boxplot([ess[temp] for temp in ess_temps],
labels=ess_temps,
showfliers=False)
plt.savefig("{}/ess.png".format(args.save_dir))
plt.clf()
plt.boxplot([
ess[temp] / times[temp][-1] / (1. - args.burn_in) for temp in ess_temps
],
labels=ess_temps,
showfliers=False)
plt.savefig("{}/ess_per_sec.png".format(args.save_dir))
plt.clf()
for temp in temps + ['gibbs']:
plt.plot(log_mmds[temp], label="{}".format(temp))
plt.legend()
plt.savefig("{}/results.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(ars[temp], label="{}".format(temp))
plt.legend()
plt.savefig("{}/ars.png".format(args.save_dir))
plt.clf()
for temp in temps:
plt.plot(hops[temp], label="{}".format(temp))
plt.legend()
plt.savefig("{}/hops.png".format(args.save_dir))
for temp in temps:
plt.clf()
plt.plot(chains[temp][:, 0])
plt.savefig("{}/trace_{}.png".format(args.save_dir, temp))
with open("{}/results.pkl".format(args.save_dir), 'wb') as f:
results = {
'ess': ess,
'hops': hops,
'log_mmds': log_mmds,
'chains': chains,
'times': times
}
pickle.dump(results, f)
def main(args):
makedirs(args.save_dir)
logger = open("{}/log.txt".format(args.save_dir), 'w')
def my_print(s):
print(s)
logger.write(str(s) + '\n')
torch.manual_seed(args.seed)
np.random.seed(args.seed)
# load existing data
if args.data == "mnist" or args.data_file is not None:
train_loader, test_loader, plot, viz = utils.get_data(args)
# generate the dataset
else:
data, data_model = utils.generate_data(args)
my_print(
"we have created your data, but what have you done for me lately?????"
)
with open("{}/data.pkl".format(args.save_dir), 'wb') as f:
pickle.dump(data, f)
if args.data_model == "er_ising":
ground_truth_J = data_model.J.detach().cpu()
with open("{}/J.pkl".format(args.save_dir), 'wb') as f:
pickle.dump(ground_truth_J, f)
quit()
if args.model == "lattice_potts":
model = rbm.LatticePottsModel(int(args.dim),
int(args.n_state),
0.,
0.,
learn_sigma=True)
buffer = model.init_sample(args.buffer_size)
elif args.model == "lattice_ising":
model = rbm.LatticeIsingModel(int(args.dim), 0., 0., learn_sigma=True)
buffer = model.init_sample(args.buffer_size)
elif args.model == "lattice_ising_3d":
model = rbm.LatticeIsingModel(int(args.dim),
.2,
learn_G=True,
lattice_dim=3)
ground_truth_J = model.J.clone().to(device)
model.G.data = torch.randn_like(model.G.data) * .01
model.sigma.data = torch.ones_like(model.sigma.data)
buffer = model.init_sample(args.buffer_size)
plt.clf()
plt.matshow(ground_truth_J.detach().cpu().numpy())
plt.savefig("{}/ground_truth.png".format(args.save_dir))
elif args.model == "lattice_ising_2d":
model = rbm.LatticeIsingModel(int(args.dim),
args.sigma,
learn_G=True,
lattice_dim=2)
ground_truth_J = model.J.clone().to(device)
model.G.data = torch.randn_like(model.G.data) * .01
model.sigma.data = torch.ones_like(model.sigma.data)
buffer = model.init_sample(args.buffer_size)
plt.clf()
plt.matshow(ground_truth_J.detach().cpu().numpy())
plt.savefig("{}/ground_truth.png".format(args.save_dir))
elif args.model == "er_ising":
model = rbm.ERIsingModel(int(args.dim), 2, learn_G=True)
model.G.data = torch.randn_like(model.G.data) * .01
buffer = model.init_sample(args.buffer_size)
with open(args.graph_file, 'rb') as f:
ground_truth_J = pickle.load(f)
plt.clf()
plt.matshow(ground_truth_J.detach().cpu().numpy())
plt.savefig("{}/ground_truth.png".format(args.save_dir))
ground_truth_J = ground_truth_J.to(device)
elif args.model == "rbm":
model = rbm.BernoulliRBM(args.dim, args.n_hidden)
buffer = model.init_dist.sample((args.buffer_size, ))
elif args.model == "dense_potts":
raise ValueError
elif args.model == "dense_ising":
raise ValueError
elif args.model == "mlp":
raise ValueError
model.to(device)
buffer = buffer.to(device)
# make G symmetric
def get_J():
j = model.J
return (j + j.t()) / 2
if args.sampler == "gibbs":
if "potts" in args.model:
sampler = samplers.PerDimMetropolisSampler(model.data_dim,
int(args.n_state),
rand=False)
else:
sampler = samplers.PerDimGibbsSampler(model.data_dim, rand=False)
elif args.sampler == "rand_gibbs":
if "potts" in args.model:
sampler = samplers.PerDimMetropolisSampler(model.data_dim,
int(args.n_state),
rand=True)
else:
sampler = samplers.PerDimGibbsSampler(model.data_dim, rand=True)
elif args.sampler == "gwg":
if "potts" in args.model:
sampler = samplers.DiffSamplerMultiDim(model.data_dim,
1,
approx=True,
temp=2.)
else:
sampler = samplers.DiffSampler(model.data_dim,
1,
approx=True,
fixed_proposal=False,
temp=2.)
else:
assert "gwg-" in args.sampler
n_hop = int(args.sampler.split('-')[1])
if "potts" in args.model:
raise ValueError
else:
sampler = samplers.MultiDiffSampler(model.data_dim,
1,
approx=True,
temp=2.,
n_samples=n_hop)
my_print(device)
my_print(model)
my_print(buffer.size())
my_print(sampler)
optimizer = torch.optim.Adam(model.parameters(),
lr=args.lr,
weight_decay=args.weight_decay)
itr = 0
sigmas = []
sq_errs = []
rmses = []
while itr < args.n_iters:
for x in train_loader:
x = x[0].to(device)
for k in range(args.sampling_steps):
buffer = sampler.step(buffer.detach(), model).detach()
logp_real = model(x).squeeze().mean()
logp_fake = model(buffer).squeeze().mean()
obj = logp_real - logp_fake
loss = -obj
loss += args.l1 * get_J().abs().sum()
optimizer.zero_grad()
loss.backward()
optimizer.step()
model.G.data *= (1. - torch.eye(model.G.data.size(0))).to(model.G)
if itr % args.print_every == 0:
my_print(
"({}) log p(real) = {:.4f}, log p(fake) = {:.4f}, diff = {:.4f}, hops = {:.4f}"
.format(itr, logp_real.item(), logp_fake.item(),
obj.item(), sampler._hops))
if args.model in ("lattice_potts", "lattice_ising"):
my_print(
"\tsigma true = {:.4f}, current sigma = {:.4f}".format(
args.sigma, model.sigma.data.item()))
else:
sq_err = ((ground_truth_J - get_J())**2).sum()
rmse = ((ground_truth_J - get_J())**2).mean().sqrt()
my_print("\t err^2 = {:.4f}, rmse = {:.4f}".format(
sq_err, rmse))
print(ground_truth_J)
print(get_J())
if itr % args.viz_every == 0:
if args.model in ("lattice_potts", "lattice_ising"):
sigmas.append(model.sigma.data.item())
plt.clf()
plt.plot(sigmas, label="model")
plt.plot([args.sigma for s in sigmas], label="gt")
plt.legend()
plt.savefig("{}/sigma.png".format(args.save_dir))
else:
sq_err = ((ground_truth_J - get_J())**2).sum()
sq_errs.append(sq_err.item())
plt.clf()
plt.plot(sq_errs, label="sq_err")
plt.legend()
plt.savefig("{}/sq_err.png".format(args.save_dir))
rmse = ((ground_truth_J - get_J())**2).mean().sqrt()
rmses.append(rmse.item())
plt.clf()
plt.plot(rmses, label="rmse")
plt.legend()
plt.savefig("{}/rmse.png".format(args.save_dir))
plt.clf()
plt.matshow(get_J().detach().cpu().numpy())
plt.savefig("{}/model_{}.png".format(args.save_dir, itr))
plot("{}/data_{}.png".format(args.save_dir, itr),
x.detach().cpu())
plot("{}/buffer_{}.png".format(args.save_dir, itr),
buffer[:args.batch_size].detach().cpu())
itr += 1
if itr > args.n_iters:
if args.model in ("lattice_potts", "lattice_ising"):
final_sigma = model.sigma.data.item()
with open("{}/sigma.txt".format(args.save_dir), 'w') as f:
f.write(str(final_sigma))
else:
sq_err = ((ground_truth_J - get_J())**2).sum().item()
rmse = ((ground_truth_J - get_J())**2).mean().sqrt().item()
with open("{}/sq_err.txt".format(args.save_dir), 'w') as f:
f.write(str(sq_err))
with open("{}/rmse.txt".format(args.save_dir), 'w') as f:
f.write(str(rmse))
quit()