1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
|
dataset_defaults = {
'ogb-molpcba': {
'num_domains': 120084,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 186, 'dropout': 0.5, 'dataset_group': 'mol'},
'default_frac': 1.0,
'loss_function': 'multitask_bce',
'groupby_fields': ['scaffold', ],
'val_metric': 'ap',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 250,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'multitask_binary_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'gin_virtual'
},
'ogb-molhiv': {
'num_domains': 19089,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 186, 'dropout': 0.5, 'dataset_group': 'mol'},
'default_frac': 1.0,
'loss_function': 'BCEWithLogitsLoss',
'groupby_fields': ['scaffold', ],
'val_metric': 'rocauc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 200,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'binary_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'gin_virtual',
'flag_step_size': 1e-3,
'gcl_aug_ratio': 0.3
},
'ogbg-ppa': {
'num_domains': 1581, # not mapped
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 7, 'dropout': 0.5, 'dataset_group': 'ppa'},
'default_frac': 1.0,
'loss_function': 'cross_entropy',
'groupby_fields': ['species', ],
'val_metric': 'acc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 32,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 150,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'multiclass_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'gin_virtual',
'flag_step_size': 1e-3
},
'RotatedMNIST': {
'num_domains': 6,
'num_train_domains': 5,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 1, 'dropout': 0.5, 'dataset_group': 'RotatedMNIST'},
'default_frac': 1.0,
'loss_function': 'cross_entropy',
'groupby_fields': ['angle', ],
'val_metric': 'acc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 150,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'multiclass_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'cheb'
},
'ColoredMNIST': {
'num_domains': 3,
'num_train_domains':2,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim':2, 'dropout': 0.5, 'dataset_group': 'ColoredMNIST'},
'default_frac': 1.0,
'loss_function': 'BCEWithLogitsLoss',
'groupby_fields': ['color', ],
'val_metric': 'rocauc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 100,
'n_groups_per_batch': 2,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'binary_accuracy',
'model': 'cheb',
'irm_lambda': 100.
},
'SBM-Environment': {
'num_domains': 4,
'num_train_domains':3,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 8, 'dropout': 0.5, 'dataset_group': 'SBM'},
'default_frac': 1.0,
'loss_function': 'cross_entropy',
'groupby_fields': ['composition', ],
'val_metric': 'acc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 200,
'n_groups_per_batch': 2,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'multiclass_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'gin_virtual',
'dann_lambda': 1,
'mldg_beta': 10,
'gcl_aug_ratio': 0.2
},
'SBM-Isolation': {
'num_domains': 10,
'num_train_domains':8,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 8, 'dropout': 0.5, 'dataset_group': 'SBM'},
'default_frac': 1.0,
'loss_function': 'cross_entropy',
'groupby_fields': ['composition', ],
'val_metric': 'acc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 150,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'multiclass_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'cheb',
'dann_lambda': 1,
'mldg_beta': 1,
'gcl_aug_ratio': 0.3
},
'UPFD': {
'num_domains': 10,
'num_train_domains':8,
'split_scheme': 'official',
'model_kwargs': {'three_wl_in_dim': 8, 'dropout': 0.5, 'dataset_group': 'UPFD'},
'default_frac': 1.0,
'loss_function': 'BCEWithLogitsLoss',
'groupby_fields': ['size', ],
'val_metric': 'rocauc',
'val_metric_decreasing': False,
'optimizer': 'Adam',
'batch_size': 128,
'lr': 1e-03,
'weight_decay': 0.,
'n_epochs': 150,
'n_groups_per_batch': 4,
'no_group_logging': True,
'process_outputs_function': None,
'algo_log_metric': 'binary_accuracy',
'gsn_id_type': 'cycle_graph',
'gsn_k': 6,
'model': 'cheb'
},
}
|