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859 lines (443 loc) · 22.1 KB
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from argparse import ArgumentParser
from itertools import chain
import os
import sys
from sklearn.model_selection import train_test_split
import torch
import argcfg
from coldgnn.configs.coldgnn_default_config import load_coldgnn_default_config, ColdGNNConfig
import pickle
from coldgnn.layers.transformer import load_vit_weights_to_transformers
from coldgnn.utils.data_loader_utils import create_index_dataloader, create_tensor_dataloader
from tqdm import tqdm
from transformers import get_linear_schedule_with_warmup
from transformers import get_constant_schedule_with_warmup
# poly
from transformers import get_polynomial_decay_schedule_with_warmup
from transformers import get_cosine_with_hard_restarts_schedule_with_warmup
from transformers import get_cosine_schedule_with_warmup
from coldgnn.utils.graph_sampling_utils import sample_graph, sample_graph_by_edge_ratio
import json
import shutil
config_name = None
use_echoless_feat = True
target_dtype = torch.float16
# target_dtype = torch.float32
use_pre_train = False
device = "cuda"
parser = ArgumentParser()
parser.add_argument('--dataset', type=str, required=True)
parser.add_argument('--seed', type=int, required=True)
parser.add_argument("--gpu", type=int, required=True)
config_class = ColdGNNConfig
parser = argcfg.add_args_by_config_class(parser, config_class)
args = parser.parse_args()
dataset_name = args.dataset
os.environ["CUDA_VISIBLE_DEVICES"] = str(args.gpu)
from coldgnn.layers.ntsformer import NTSFormer
from coldgnn.pre_compute import create_target_h_list
from coldgnn.utils.nested_data_loader_utils import NestedDataLoader
from coldgnn.utils.dgl_utils import process_block_with_self_loops, aggregate_neighbors
from coldgnn.utils.nested_data_utils import nested_gather, nested_map
from coldgnn.utils.torch_utils import count_parameters
from dataclasses import asdict
from coldgnn.datasets.load_data import load_dgl_data, update_graph_or_config_or_split
import sys
import torch
import torch.nn.functional as F
import torchmetrics
import shortuuid
import time
import numpy as np
import dgl
from coldgnn.utils.random_utils import reset_seed
reset_seed(args.seed)
start_time = time.time()
run_id = shortuuid.uuid()
g, features, labels, num_classes, multi_label, (train_index, valid_index, test_index), (train_mask, valid_mask, test_mask), (t_channels, v_channels) = \
load_dgl_data(dataset_name, use_pre_train=use_pre_train, device=device, config_name=config_name)
num_total_nodes = g.num_nodes()
config = load_coldgnn_default_config(dataset_name, use_pre_train=use_pre_train, config_name=config_name, use_echoless_feat=use_echoless_feat)
config = argcfg.combine_args_into_config(config, args)
print(config)
g, config, features, labels, train_index, valid_index, test_index, train_mask, valid_mask, test_mask, \
(valid_text_miss_index, valid_visual_miss_index, valid_no_miss_index), \
(test_text_miss_index, test_visual_miss_index, test_no_miss_index) = \
update_graph_or_config_or_split(args, g, config, features, labels,
train_index, valid_index, test_index, train_mask, valid_mask, test_mask,
t_channels, v_channels)
model_name = config.model_name
result_dir = config.output_dir
if not os.path.exists(result_dir):
os.makedirs(result_dir, exist_ok=True)
result_path = os.path.join(result_dir, "{}.json".format(run_id))
tmp_result_path = os.path.join(result_dir, "{}.json.tmp".format(run_id))
use_pos_enc = False
pre_method = config.pre_method
raw_g = g
def adamw_optimizer_create_func(model):
params_with_decay = []
params_no_decay = []
for name, param in model.named_parameters():
if not param.requires_grad:
continue # Skip frozen parameters
if "bias" in name or "LayerNorm.weight" in name:
params_no_decay.append(param) # No weight decay for biases & LayerNorm
else:
params_with_decay.append(param) # Apply weight decay to other params
optimizer = torch.optim.AdamW([
{"params": params_with_decay, "lr": config.lr, "weight_decay": 0.01},
{"params": params_no_decay, "lr": config.lr, "weight_decay": 0.0},
])
return optimizer
callbacks = []
def train_end_to_end(model):
model_is_pre_compute = True
for callback in callbacks:
callback.model = model
for callback in callbacks:
callback.on_train_begin(config)
eval_batch_size = config.batch_size * 2
# if num_gnn_layers > 2 and dataset_name not in ["ogbn-arxiv"]:
train_batch_size = config.batch_size
time_dict = {
"start": time.time()
}
time_dict["pre_compute"] = time_dict["start"]
autocast_device = "cuda"
autocast_dtype = torch.float32
loss_func = torch.nn.CrossEntropyLoss(reduction="none")
print("model:\n", model)
print("num parameters:", sum(p.numel() for p in model.parameters()))
optimizer = adamw_optimizer_create_func(model)
num_warmup_steps = 10
# scheduler = None
scheduler = get_linear_schedule_with_warmup(optimizer,
num_warmup_steps=num_warmup_steps,
num_training_steps=config.num_epochs)
best_valid_score = -100000.0
early_stop_epoch = 0
early_stop_train_scores = None
early_stop_valid_scores = None
early_stop_test_scores = None
patience_counter = 0
should_stop = False
non_valid_test_mask = (~valid_mask) & (~test_mask)
non_valid_test_index = torch.arange(g.num_nodes(), device=device)[non_valid_test_mask]
labelled_labels = labels[labelled_all_index]
def evaluate_end_to_end():
model.eval()
f1_macro = torchmetrics.F1Score(task="multiclass", num_classes=int(num_classes), average="macro").to(device)
with torch.no_grad():
with torch.autocast(device_type=autocast_device, dtype=autocast_dtype):
batch_logits_list = []
for batch_node_index, _ in tqdm(labelled_all_data_loader):
batch_target_h_list_list = nested_map(target_h_list_list, lambda x: x[batch_node_index.to(x.device)].to(device))
batch_logits = model(batch_target_h_list_list)
batch_logits = batch_logits.detach().cpu()
batch_logits_list.append(batch_logits)
logits = torch.cat(batch_logits_list, dim=0)
del batch_logits_list
torch.cuda.empty_cache() # Clear unused memory
logits = logits.to(device)
y_pred = logits.argmax(dim=-1)
corrects = (y_pred == labelled_labels).float()
train_acc = corrects[labelled_virtual_train_index].mean().item()
valid_acc = corrects[labelled_virtual_valid_index].mean().item()
test_acc = corrects[labelled_virtual_test_index].mean().item()
# valid_text_miss_acc = corrects[labelled_virtual_text_miss_index].mean().item()
# valid_visual_miss_acc = corrects[labelled_virtual_visual_miss_index].mean().item()
# valid_no_miss_acc = corrects[labelled_virtual_no_miss_index].mean().item()
test_text_miss_acc = corrects[labelled_virtual_text_miss_index].mean().item()
test_visual_miss_acc = corrects[labelled_virtual_visual_miss_index].mean().item()
test_no_miss_acc = corrects[labelled_virtual_no_miss_index].mean().item()
f1_macro_scores = []
for split_index in [labelled_virtual_train_index, labelled_virtual_valid_index, labelled_virtual_test_index]:
f1_macro.reset()
f1_macro.update(y_pred[split_index], labelled_labels[split_index])
f1_macro_scores.append(f1_macro.compute().item())
train_f1_macro, valid_f1_macro, test_f1_macro = f1_macro_scores
train_scores = {
"accuracy": train_acc,
"f1_macro": train_f1_macro
}
valid_scores = {
"accuracy": valid_acc,
"f1_macro": valid_f1_macro,
}
test_scores = {
"accuracy": test_acc,
"f1_macro": test_f1_macro,
"text_miss_accuracy": test_text_miss_acc,
"visual_miss_accuracy": test_visual_miss_acc,
"no_miss_accuracy": test_no_miss_acc
}
return train_scores, valid_scores, test_scores
# use_processed_blocks = False
def create_next_train_edge_batch_generator():
while True:
for batch_edge_index in train_edge_data_loader:
yield batch_edge_index
next_train_edge_batch_generator = create_next_train_edge_batch_generator()
for epoch in range(1, config.num_epochs + 1):
model.train()
pbar = tqdm(train_data_loader)
for step, batch_data in enumerate(pbar):
if config.num_max_steps is not None and step >= config.num_max_steps:
break
with torch.autocast(device_type=autocast_device, dtype=autocast_dtype):
# batch_labels = batch_labels.to(device)
def forward_func(batch_node_index,
**extra_kwargs):
def forward_by_node_index(batch_node_index):
batch_target_h_list_list = nested_map(target_h_list_list, lambda x: x[batch_node_index.to(x.device)].to(device))
return model(batch_target_h_list_list, **extra_kwargs)
output = forward_by_node_index(batch_node_index)
# batch_target_h_list_list = nested_map(target_h_list_list, lambda x: x[batch_node_index.to(x.device)].to(device))
# logits, global_h = model(batch_target_h_list_list, return_all=True)
return output
# losses = loss_func(logits, batch_labels)
# loss = losses.mean()
batch_node_index, batch_labels, batch_train_mask = batch_data
logits, loss = model.nts_forward_and_compute_loss(epoch, batch_node_index, batch_labels, batch_train_mask, forward_func, config)
optimizer.zero_grad()
loss.backward()
optimizer.step()
with torch.no_grad():
batch_acc = (logits.argmax(dim=-1) == batch_labels).float().mean().item()
pbar.set_postfix({
"epoch": epoch,
"loss": loss.item(),
"acc": batch_acc
})
for callback in callbacks:
callback.on_epoch_end(epoch, config, logs=None)
if scheduler is not None:
scheduler.step()
print("current learning_rate: ", scheduler.get_last_lr())
if epoch % config.validation_freq == 0:
train_scores, valid_scores, test_scores = evaluate_end_to_end()
time_dict["train"] = time.time()
early_stop_metric_name = "accuracy"
valid_score = valid_scores[early_stop_metric_name]
if valid_score > best_valid_score:
best_valid_score = valid_score
early_stop_train_scores = train_scores
early_stop_valid_scores = valid_scores
early_stop_test_scores = test_scores
early_stop_epoch = epoch
patience_counter = 0
else:
patience_counter += config.validation_freq
if patience_counter >= config.patience:
should_stop = True
train_time = time_dict["train"] - time_dict["pre_compute"]
all_time = time_dict["train"] - time_dict["start"]
combined_config_dict = vars(args)
for k, v in asdict(config).items():
combined_config_dict[k] = v
result_dict = {
"epoch": epoch,
# "loss": loss.detach().cpu().item(),
"patience": patience_counter,
"early_stop_epoch": early_stop_epoch,
**{f"train_{k}": v for k, v in early_stop_train_scores.items()},
**{f"val_{k}": v for k, v in early_stop_valid_scores.items()},
**early_stop_test_scores,
"pre_compute_time": 0.0,
"train_time": train_time,
"all_time": all_time
}
# to demical 4
print_result_dict = {k: round(v, 4) if isinstance(v, float) else v for k, v in result_dict.items()}
print("patience_counter = {}".format(patience_counter))
print(print_result_dict)
print_result_dict = {
**combined_config_dict,
**print_result_dict
}
with open(tmp_result_path, "w", encoding="utf-8") as f:
result_json = json.dumps(print_result_dict)
f.write("{}\n".format(result_json))
if should_stop:
break
shutil.move(tmp_result_path, result_path)
feat_target_h_list = create_target_h_list(
config,
g,
features,
labels,
num_classes,
train_index,
valid_index,
test_index,
train_mask,
valid_mask,
test_mask,
dataset_name,
model_name,
target_dtype,
device,
nrl_features=None,
use_echoless_feat=False
)
split_text_visual = True
if split_text_visual:
# text_units = features.size(-1) // 2
assert features.size(-1) == t_channels + v_channels
text_feat_target_h_list = [h[..., :t_channels] for h in feat_target_h_list]
visual_feat_target_h_list = [h[..., t_channels:] for h in feat_target_h_list]
# feat_target_h_list = text_feat_target_h_list + visual_feat_target_h_list
feat_target_h_list = []
assert len(text_feat_target_h_list) == len(visual_feat_target_h_list)
for text_h, visual_h in zip(text_feat_target_h_list, visual_feat_target_h_list):
feat_target_h_list.append(text_h)
feat_target_h_list.append(visual_h)
label_feat = None
def create_e2e_data_loaders():
eval_batch_size = config.batch_size * 2
# labelled_all_index = torch.cat([train_index, valid_index, test_index], dim=0)
assert test_index.size(0) == test_text_miss_index.size(0) + test_visual_miss_index.size(0) + test_no_miss_index.size(0)
labelled_all_index = torch.cat([train_index, valid_index, test_text_miss_index, test_visual_miss_index, test_no_miss_index], dim=0)
labelled_virtual_train_index = torch.arange(train_index.size(0), device=train_index.device)
labelled_virtual_valid_index = torch.arange(train_index.size(0), train_index.size(0) + valid_index.size(0), device=train_index.device)
labelled_virtual_test_index = torch.arange(train_index.size(0) + valid_index.size(0), labelled_all_index.size(0), device=train_index.device)
labelled_virtual_text_miss_index = torch.arange(
train_index.size(0) + valid_index.size(0),
train_index.size(0) + valid_index.size(0) + test_text_miss_index.size(0), device=train_index.device)
labelled_virtual_visual_miss_index = torch.arange(
train_index.size(0) + valid_index.size(0) + test_text_miss_index.size(0),
train_index.size(0) + valid_index.size(0) + test_text_miss_index.size(0) + test_visual_miss_index.size(0), device=train_index.device)
labelled_virtual_no_miss_index = torch.arange(
train_index.size(0) + valid_index.size(0) + test_text_miss_index.size(0) + test_visual_miss_index.size(0),
labelled_all_index.size(0), device=train_index.device)
labelled_labels = labels[labelled_all_index]
labelled_all_data_loader = NestedDataLoader([labelled_all_index, labelled_labels], config.batch_size, shuffle=False, device=device)
valid_data_loader = NestedDataLoader([valid_index, labels[valid_index]], batch_size=config.batch_size, shuffle=False, device=device)
test_data_loader = NestedDataLoader([test_index, labels[test_index]], batch_size=config.batch_size, shuffle=False, device=device)
all_data_loader = NestedDataLoader([torch.arange(g.num_nodes()), labels], batch_size=eval_batch_size, shuffle=False, device=device)
labelled_all_data_loader = NestedDataLoader([labelled_all_index, labelled_labels], batch_size=eval_batch_size, shuffle=False, device=device)
cl_train_untrain_ratio = 1
seen_mask = (~valid_mask) & (~test_mask)
# seen_mask = (~test_mask)
seen_index = torch.arange(g.num_nodes())[seen_mask]
seen_train_mask = train_mask[seen_index]
if train_index.size(0) == seen_index.size(0):
sample_len = None
sample_weights = None
else:
sample_len = int(len(train_index) * (1 + 1.0 / cl_train_untrain_ratio))
untrain_train_ratio = (seen_index.size(0) - train_index.size(0)) / train_index.size(0)
sample_weights = torch.where(
seen_train_mask,
torch.ones_like(seen_train_mask).float() * untrain_train_ratio * cl_train_untrain_ratio,
torch.ones_like(seen_train_mask).float())
# import pdb
# pdb.set_trace()
print("sample_weights: ", sample_weights)
train_data_loader = NestedDataLoader(
[seen_index, labels[seen_index], seen_train_mask],
batch_size=config.batch_size,
shuffle=True,
device=device,
weights=sample_weights,
sample_len=sample_len
)
target_h_list_list = [h.unsqueeze(1) if h.dim() == 2 else h
for h in feat_target_h_list]
target_h_list_list = [h.to(target_dtype) for h in target_h_list_list]
input_shape = [h.size() for h in target_h_list_list]
return train_data_loader, valid_data_loader, test_data_loader, all_data_loader, \
labelled_all_index, labelled_all_data_loader, labelled_virtual_train_index, labelled_virtual_valid_index, labelled_virtual_test_index, \
labelled_virtual_text_miss_index, labelled_virtual_visual_miss_index, labelled_virtual_no_miss_index, \
input_shape, target_h_list_list
train_data_loader, valid_data_loader, test_data_loader, all_data_loader, \
labelled_all_index, labelled_all_data_loader, \
labelled_virtual_train_index, labelled_virtual_valid_index, labelled_virtual_test_index, \
labelled_virtual_text_miss_index, labelled_virtual_visual_miss_index, labelled_virtual_no_miss_index, \
input_shape, target_h_list_list = create_e2e_data_loaders()
# accuracy_metric = torchmetrics.Accuracy("multiclass", num_classes=int(num_classes))
accuracy_metric = torchmetrics.Accuracy("multilabel", num_labels=int(num_classes)) if multi_label else torchmetrics.Accuracy("multiclass", num_classes=int(num_classes))
metrics_dict = {
"accuracy": accuracy_metric,
# "micro_f1": torchmetrics.F1Score(task="multilabel", num_labels=int(num_classes), average="micro") if multi_label else torchmetrics.F1Score(task="multiclass", num_classes=int(num_classes), average="micro"),
# "macro_f1": torchmetrics.F1Score(task="multilabel", num_labels=int(num_classes), average="macro") if multi_label else torchmetrics.F1Score(task="multiclass", num_classes=int(num_classes), average="macro"),
}
metrics_dict["macro_f1"] = torchmetrics.F1Score(task="multiclass", num_classes=int(num_classes), average="macro")
metrics_dict = {
metrics_name: metrics.to(device)
for metrics_name, metrics in metrics_dict.items()
}
if config.loss_type == "ce":
loss_func = None
elif config.loss_type == "loge_ce":
loss_func = loge_cross_entropy
elif config.loss_type == "bce":
loss_func = torch.nn.BCEWithLogitsLoss(reduction="none")
if dataset_name in ["ogbn-products", "tsocial", "books-nc", "ele-fashion"]:
num_warmup_steps = 10
elif dataset_name.startswith("ogbn-papers100M-r"):
num_warmup_steps = 10
else:
num_warmup_steps = 50
common_model_kwargs = {
"optimizer_type": "adam" if model_name in ["mlp"] else adamw_optimizer_create_func,
"learning_rate": config.lr,
"l2_coef": 0.0,
"metrics_dict": metrics_dict,
"train_strategy": None,
"num_views": 2,
# "cl_rate": 0.5,
# "cl_rate": 0.5 if dataset_name == "ogbn-products" else 1.0,
"cl_rate": 1.0,
"loss_func": loss_func,
# "cl_threshold": 0.0, #0.7,
"cl_threshold": 0.0,
# "cl_threshold": 0.7,
"scheduler_create_func": None, # scheduler_create_func,
"scheduler_gamma": None,
"num_max_steps": config.num_max_steps,
# "scheduler_gamma": 0.99 if dataset_name == "ogbn-products" else None
}
num_gnn_layers = config.pre_k
num_label_groups = 0
sage_input_x = features
model = NTSFormer(
feat_proj_units_list=config.feat_proj_units_list,
att_group_units_list=[],
global_units_list=config.global_units_list + [num_classes],
merge_mode="concat",
# merge_mode="max",
input_shape=input_shape,
input_drop_rate=config.input_drop_rate,
# drop_rate=drop_rate,
group_drop_rate=config.group_drop_rate,
global_drop_rate=config.global_drop_rate,
group_output_drop_rate=config.group_output_drop_rate,
global_input_drop_rate=config.global_input_drop_rate,
ff_drop_rate=config.global_drop_rate,
att_drop_rate=config.att_drop_rate,
bn=config.bn,
# input_drop_rate=0.5,
# drop_rate=0.5,
activation="prelu",
num_heads=config.num_heads,
num_tf_layers=config.num_tf_layers,
feat_proj_residual=config.feat_proj_residual,
group_encoder_mode=config.group_encoder_mode,
ff_units_list=config.ff_units_list,
sample_neighbors=True,
pre_k=config.pre_k,
rand_neighbor_pre_k=None,
split_text_visual=split_text_visual,
use_gl_stu=False,
drop_modality=True,
use_input_feat_moe=True,
use_dual_teacher=True,
num_routed_experts=config.num_routed_experts,
num_shared_experts=config.num_shared_experts,
**common_model_kwargs
).to(device)
print(model)
train_end_to_end(model)
exit()