Table 2: Mean(Std) on tasks from different fields. The best mean is bold. The best baseline is underlined. Results are highlighted if unlabeled graphs bring significant negative impacts compared to GIN. The MAE for ThermCond is scaled  $\times$  100. G-MIXUP was proposed for classification. MGSSL was proposed for molecules.
# Training Graphs	Molecule Classification: AUC (%) ↑
ogbg-HIV 32,901	ogbg-ToxCast 6,860	ogbg-Tox21 6,264	ogbg-BBBP 1,631	ogbg-BACE 1,210	ogbg-ClinTox 1,181	ogbg-SIDER 1,141
GIN	77.4(1.2)	66.9(0.2)	76.0(0.6)	67.5(2.7)	77.5(2.8)	88.8(3.8)	58.1(0.9)
Self-Supervised	EDGE PRED	78.1(1.3)	63.9(0.4)	75.5(0.4)	69.9(0.5)	79.5(1.0)	62.9(2.3)	59.7(0.8)
ATTRMASK	77.1(1.7)	64.2(0.5)	76.6(0.4)	63.9(1.2)	79.3(0.7)	70.4(1.1)	60.7(0.4)
CONTEXT PRED	78.4(0.1)	63.7(0.3)	75.0(0.1)	68.8(1.6)	75.7(1.0)	63.2(6.5)	60.7(0.8)
INFOMAX	75.4(1.8)	61.7(1.0)	75.5(0.4)	69.2(0.5)	76.8(0.2)	73.0(0.2)	58.6(0.5)
JOAO	76.2(0.2)	64.8(0.3)	74.8(0.5)	69.3(2.5)	75.9(3.9)	69.4(4.5)	60.8(0.6)
GRAPHLOG	74.8(1.1)	63.2(0.8)	75.4(0.8)	67.5(2.3)	80.4(3.6)	69.0(6.6)	57.0(0.9)
MGSSL	77.1(1.1)	65.7(0.4)	77.2(0.3)	66.9(0.9)	81.3(2.4)	69.8(5.0)	63.6(1.0)
D-SLA	76.9(0.9)	60.8(1.2)	76.1(0.1)	62.6(1.0)	80.3(0.6)	78.3(2.4)	55.1(1.0)
Semi-SL	INFOGRAPH	73.3(0.7)	61.5(1.1)	67.6(0.9)	61.6(4.4)	75.9(1.8)	62.2(5.5)	56.3(2.3)
ST-REAL	78.3(0.6)	64.5(1.0)	76.2(0.5)	66.7(1.9)	77.4(1.8)	82.2(2.4)	60.8(1.2)
ST-GEN	77.9(1.6)	65.1(1.0)	75.8(0.9)	66.3(1.5)	78.4(3.0)	87.3(1.3)	59.3(1.3)
GDA	FLAG	74.6(1.7)	59.9(1.6)	76.9(0.7)	66.6(1.0)	79.1(1.2)	85.1(3.4)	57.6(2.3)
GREA	79.3(0.9)	67.5(0.7)	77.2(1.2)	69.7(1.3)	82.4(2.4)	87.9(3.7)	60.1(2.0)
G-MIXUP	77.1(1.1)	55.6(1.1)	64.6(0.4)	70.2(1.0)	77.8(3.3)	60.2(7.5)	56.8(3.5)
DCT (Ours)	79.5(1.0)	68.1(0.2)	78.2(0.2)	70.8(0.5)	85.6(0.6)	92.1(0.8)	63.9(0.3)
# Training Graphs	Molecule Regression: MAE ↓	Polymer Regression: MAE ↓	Bio: AUC (%)↑
ogbg-Lipo 3,360	ogbg-ESOL 902	ogbg-FreeSolv 513	GlassTemp 4,303	MeltingTemp 2,189	ThermCond 455	O2Perm 356	PPI 60,715
GIN	0.545(0.019)	0.766(0.016)	1.639(0.146)	26.4(0.2)	40.9(2.2)	3.25(0.19)	201.3(45.0)	69.1(0.0)
Self-Supervised	EDGE PRED	0.585(0.008)	1.062(0.066)	2.249(0.150)	27.6(1.4)	47.4(2.8)	3.69(0.50)	207.3(41.7)	63.7(1.1)
ATTRMASK	0.573(0.009)	1.041(0.041)	1.952(0.088)	27.7(0.8)	45.8(2.6)	3.17(0.32)	179.9(30.8)	64.1(1.8)
CONTEXT PRED	0.592(0.007)	0.971(0.027)	2.193(0.151)	27.6(0.3)	46.7(1.9)	3.15(0.24)	191.2(35.2)	62.0(1.2)
INFOMAX	0.581(0.009)	0.935(0.018)	2.197(0.129)	27.5(0.8)	46.5(2.8)	3.31(0.25)	231.0(52.6)	63.3(1.2)
JOAO	0.596(0.016)	1.098(0.037)	2.465(0.095)	27.5(0.2)	46.0(0.2)	3.55(0.26)	207.7(43.7)	61.5(1.2)
GRAPHLOG	0.577(0.010)	1.109(0.059)	2.373(0.283)	29.5(1.3)	50.3(3.3)	3.01(0.17)	229.7(48.3)	62.1(0.6)
MGSSL	0.569(0.007)	0.998(0.031)	1.956(0.077)	26.9(0.4)	42.7(1.2)	3.10(0.14)	201.1(31.9)	N.A.
D-SLA	0.563(0.004)	1.064(0.030)	2.190(0.149)	27.5(1.0)	51.7(2.5)	2.71(0.08)	257.8(30.2)	65.0(1.2)
Semi-SL	INFOGRAPH	0.793(0.094)	1.285(0.093)	3.710(0.418)	30.8(1.2)	51.2(5.1)	2.75(0.15)	207.2(21.8)	67.7(0.4)
ST-REAL	0.526(0.009)	0.788(0.070)	1.770(0.251)	26.6(0.3)	42.3(1.2)	2.64(0.07)	256.0(17.5)	68.9(0.1)
ST-GEN	0.531(0.031)	0.724(0.082)	1.547(0.082)	26.8(0.3)	42.0(0.9)	2.70(0.03)	262.2(10.1)	68.6(0.6)
GDA	FLAG	0.528(0.012)	0.755(0.039)	1.565(0.098)	26.6(1.3)	44.2(2.0)	3.05(0.10)	177.7(60.7)	69.2(0.2)
GREA	0.586(0.036)	0.805(0.135)	1.829(0.368)	26.7(1.0)	41.1(0.8)	3.23(0.18)	194.0(45.5)	68.8(0.2)
DCT (Ours)	0.516(0.071)	0.717(0.020)	1.339(0.075)	23.7(0.2)	38.0(0.8)	2.59(0.11)	165.6(24.3)	69.5(0.2)