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from rrog.registry import RunSpec
ZINC_VIEWS = [
"gin", "gine", "gcn", "graphsage", "gatv2", "graphconv", "transformer", "pna",
"gen", "film", "resgated", "tag", "sgc", "cheb", "arma", "mf", "appnp",
]
OGB_MOL_VIEWS = [
"gin", "gine", "gcn", "graphsage", "gatv2", "graphconv", "transformer", "pna",
"gen", "film", "resgated", "tag", "sgc", "cheb", "arma", "mf", "appnp",
]
OGB_MOL_TASKS = [
"ogbg-molhiv",
"ogbg-molpcba",
"ogbg-molbbbp",
"ogbg-molbace",
"ogbg-moltox21",
"ogbg-molclintox",
"ogbg-molsider",
"ogbg-molesol",
"ogbg-molfreesolv",
"ogbg-mollipo",
]
def _zinc_cycle56_gin_command(args: dict[str, object]) -> list[str]:
compute = str(args.get("compute", "rrog-act"))
view = str(args.get("view", "gin"))
epochs = int(args.get("epochs", 200))
hidden = int(args.get("hidden", 64))
batch_size = int(args.get("bs", 256))
seed = int(args.get("seed", 0))
t = int(args.get("T", 1))
n_sup = int(args.get("n_sup", 3))
halt_max_steps = int(args.get("halt_max_steps", 8))
halt_target = str(args.get("halt_target", "binary"))
cmd = [
"python3", "diag/train_rec.py",
"--grad_mode", "full",
"--T", str(t),
"--n_sup", str(n_sup),
"--hidden", str(hidden),
"--bs", str(batch_size),
"--epochs", str(epochs),
"--agg_layers", str(args.get("agg_layers", 5)),
"--compute_layers", str(args.get("compute_layers", 2)),
"--view", view,
"--sigma", "0",
"--K", "1",
"--select", "none",
"--seed", str(seed),
]
if compute in ["classic", "view-only"]:
cmd[cmd.index("--T") + 1] = "0"
elif compute == "fixed-rrog":
pass
elif compute == "rrog-act":
cmd.extend([
"--act",
"--halt_max_steps", str(halt_max_steps),
"--halt_target", halt_target,
"--halt_norm_threshold", str(args.get("halt_norm_threshold", 0.3)),
])
else:
raise ValueError(f"unsupported compute for zinc-cycle56/{view}: {compute}")
if args.get("device") is not None:
cmd.extend(["--device", str(args["device"])])
return cmd
def _ogb_graphprop_gin_command(args: dict[str, object]) -> list[str]:
task = str(args["task"])
view = str(args.get("view", "gin"))
compute = str(args.get("compute", "rrog-act"))
cmd = [
"python3", "rrog/train_ogb_graphprop.py",
"--dataset", task,
"--view", view,
"--compute", compute,
"--T", str(args.get("T", 1)),
"--n_sup", str(args.get("n_sup", 3)),
"--hidden", str(args.get("hidden", 128)),
"--bs", str(args.get("bs", 128)),
"--epochs", str(args.get("epochs", 100)),
"--eval_every", str(args.get("eval_every", 10)),
"--agg_layers", str(args.get("agg_layers", 5)),
"--compute_layers", str(args.get("compute_layers", 2)),
"--seed", str(args.get("seed", 0)),
]
for key in ["lr", "lam_q"]:
if args.get(key) is not None:
cmd.extend([f"--{key}", str(args[key])])
if compute == "rrog-act":
cmd.extend([
"--halt_max_steps", str(args.get("halt_max_steps", 8)),
"--halt_min_steps", str(args.get("halt_min_steps", 2)),
"--halt_target", str(args.get("halt_target", "loss")),
"--halt_loss_threshold", str(args.get("halt_loss_threshold", 0.2)),
"--halt_exploration_prob", str(args.get("halt_exploration_prob", 0.1)),
])
if args.get("q_warmup_epochs") is not None:
cmd.extend(["--q_warmup_epochs", str(args["q_warmup_epochs"])])
if float(args.get("ema", 0.0) or 0.0) > 0:
cmd.extend(["--ema", str(args["ema"])])
if args.get("device") is not None:
cmd.extend(["--device", str(args["device"])])
for key in ["max_train_batches", "max_eval_batches", "num_workers"]:
if args.get(key) is not None:
cmd.extend([f"--{key}", str(args[key])])
return cmd
RUN_SPECS = [
]
for _view in ZINC_VIEWS:
RUN_SPECS.extend([
RunSpec(
task="zinc-cycle56",
view=_view,
compute="classic",
default_args={"compute": "classic", "view": _view, "T": 0, "n_sup": 1, "epochs": 200},
command_builder=_zinc_cycle56_gin_command,
),
RunSpec(
task="zinc-cycle56",
view=_view,
compute="view-only",
default_args={"compute": "view-only", "view": _view, "T": 0, "n_sup": 3, "epochs": 200},
command_builder=_zinc_cycle56_gin_command,
),
RunSpec(
task="zinc-cycle56",
view=_view,
compute="fixed-rrog",
default_args={"compute": "fixed-rrog", "view": _view, "T": 3, "n_sup": 3, "epochs": 200},
command_builder=_zinc_cycle56_gin_command,
),
RunSpec(
task="zinc-cycle56",
view=_view,
compute="rrog-act",
default_args={"compute": "rrog-act", "view": _view, "T": 1, "n_sup": 3, "epochs": 200},
command_builder=_zinc_cycle56_gin_command,
),
])
for _task in OGB_MOL_TASKS:
for _view in OGB_MOL_VIEWS:
RUN_SPECS.extend([
RunSpec(
task=_task,
view=_view,
compute="classic",
default_args={"task": _task, "view": _view, "compute": "classic", "T": 0, "n_sup": 1, "epochs": 100},
command_builder=_ogb_graphprop_gin_command,
),
RunSpec(
task=_task,
view=_view,
compute="view-only",
default_args={"task": _task, "view": _view, "compute": "view-only", "T": 0, "n_sup": 3, "epochs": 100},
command_builder=_ogb_graphprop_gin_command,
),
RunSpec(
task=_task,
view=_view,
compute="fixed-rrog",
default_args={"task": _task, "view": _view, "compute": "fixed-rrog", "T": 3, "n_sup": 3, "epochs": 100},
command_builder=_ogb_graphprop_gin_command,
),
RunSpec(
task=_task,
view=_view,
compute="rrog-act",
default_args={"task": _task, "view": _view, "compute": "rrog-act", "T": 1, "n_sup": 3, "epochs": 100},
command_builder=_ogb_graphprop_gin_command,
),
])
def find_run_spec(task: str, view: str, compute: str, modifier: str = "none") -> RunSpec:
for spec in RUN_SPECS:
if (spec.task, spec.view, spec.compute, spec.modifier) == (task, view, compute, modifier):
return spec
raise KeyError(f"no implemented run spec for task={task} view={view} compute={compute} modifier={modifier}")
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