def _code( model, num_heads, num_bases, aggrs, hidden, use_old_code_dataset, ): code_data(data_location(), use_old_code_dataset=use_old_code_dataset) if model in ["egc", "egc-softmax"]: return EgcCodeConfig( hidden=hidden, num_bases=num_bases, num_heads=num_heads, softmax="softmax" in model, aggrs=aggrs, use_old_code_dataset=use_old_code_dataset, ) if model == "gcn": return GcnCodeConfig(hidden, use_old_code_dataset=use_old_code_dataset) elif model == "gat": return GatCodeConfig(hidden, use_old_code_dataset=use_old_code_dataset) elif model == "gin": return GinCodeConfig(hidden, use_old_code_dataset=use_old_code_dataset) elif model in ["mpnn-sum", "mpnn-max"]: return MpnnCodeConfig( hidden, aggr="add" if "sum" in model else "max", use_old_code_dataset=use_old_code_dataset, ) elif model == "pna": return PnaCodeConfig(hidden, use_old_code_dataset=use_old_code_dataset) else: raise ValueError
def _zinc(model, num_samples, egc_num_bases, egc_num_heads, aggrs, hidden): zinc_data(data_location()) if model in ["egc", "egc-softmax"]: config = ZincEgcConfig( num_samples=num_samples, softmax="softmax" in model, num_bases=egc_num_bases, num_heads=egc_num_heads, aggrs=aggrs, hidden=hidden, ) else: raise ValueError return config
def _arxiv(model, num_heads, num_bases, aggrs, hidden): arxiv_data(data_location()) if model == "gcn": return GcnArxivConfig(hidden) elif model == "gat": return GatArxivConfig(hidden) elif model == "gin": return GinArxivConfig(hidden) elif model in ["egc", "egc-softmax"]: return EgcArxivConfig( num_heads=num_heads, num_bases=num_bases, softmax="softmax" in model, aggrs=aggrs, hidden=hidden, ) elif model in ["mpnn-sum", "mpnn-max"]: return MpnnArxivConfig(hidden, aggr="add" if "sum" in model else "max") elif model == "pna": return PnaArxivConfig(hidden) else: raise ValueError
def _mol(model, dataset, num_heads, num_bases, aggrs, hidden): mol_data(data_location(), dataset) if model in ["egc", "egc-softmax"]: return EgcMolConfig( dataset, hidden=hidden, num_bases=num_bases, num_heads=num_heads, softmax="softmax" in model, aggrs=aggrs, ) elif model == "gcn": return GcnMolConfig(dataset, hidden) elif model == "gat": return GatMolConfig(dataset, hidden) elif model == "gin": return GinMolConfig(dataset, hidden) elif model in ["mpnn-sum", "mpnn-max"]: return MpnnMolConfig(dataset, hidden, aggr="add" if "sum" in model else "max") else: raise ValueError
def data(self, pinned_objs, hparams): return mol_data( data_location(), dataset=self.dataset, batch_size=hparams["batch_size"] )
def data(self, pinned_objs, hparams): return cifar_data(data_location(), batch_size=hparams["batch_size"])
def data(self, pinned_objs, hparams): return arxiv_data(data_location())
def data(self, pinned_objs, hparams): return code_data( data_location(), batch_size=128, use_old_code_dataset=self.use_old_code_dataset, )