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Graph kernel datasets performance with simple features
name graph size node labels max. class prob
AIDS 99.69 99.54 80.00
BZR 80.12 83.65 78.77
BZR_MD 62.19 66.28 51.31
COIL-DEL 7.95 nan 1.00
COIL-RAG 5.48 nan 1.00
COLLAB 68.20 nan 52.00
COX2 77.85 77.85 78.16
COX2_MD 50.30 64.51 51.16
DD 75.59 79.71 58.66
DHFR 60.65 65.31 60.98
DHFR_MD 66.77 68.00 67.94
ENZYMES 23.83 38.98 16.67
ER_MD 66.08 71.21 59.42
FIRSTMM_DB 7.56 10.14 14.63
FRANKENSTEIN 63.90 nan 55.36
IMDB-BINARY 69.74 nan 50.00
IMDB-MULTI 45.12 nan 33.33
KKI 55.12 48.37 55.42
Letter-high 33.69 nan 6.67
Letter-low 41.62 nan 6.67
Letter-med 37.22 nan 6.67
MSRC_21 10.36 81.12 6.04
MSRC_21C 15.48 75.53 13.88
MSRC_9 17.95 88.54 13.57
MUTAG 84.21 84.10 66.49
Mutagenicity 64.65 71.35 55.36
NCI1 62.49 64.43 50.05
NCI109 62.06 64.88 50.38
OHSU 53.54 50.80 55.70
PROTEINS 72.60 75.39 59.57
PROTEINS_full 72.60 75.09 59.57
PTC_FM 62.03 63.35 59.03
PTC_FR 64.10 66.42 65.53
PTC_MM 62.35 65.21 61.61
PTC_MR 56.55 62.33 55.81
Peking_1 53.59 53.47 57.65
REDDIT-BINARY 83.98 nan 50.00
REDDIT-MULTI-12K 36.36 nan 21.73
REDDIT-MULTI-5K 47.88 nan 20.00
SYNTHETIC 43.36 43.49 50.00
SYNTHETICnew 62.51 nan 50.00
Synthie 51.09 nan 27.50
Tox21_AHR 88.39 88.40 88.37
Tox21_AR-LBD 96.45 96.49 96.48
Tox21_AR 95.93 95.95 95.94
Tox21_ARE 84.65 84.65 84.68
Tox21_ATAD5 96.27 96.29 96.28
Tox21_ER 87.83 87.81 87.83
Tox21_ER_LBD 94.90 94.90 94.90
Tox21_HSE 94.76 94.77 94.75
Tox21_MMP 84.36 84.93 84.40
Tox21_PPAR-gamma 97.28 97.27 97.29
Tox21_aromatase 95.02 94.99 95.02
Tox21_p53 93.77 93.78 93.78
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xgfs commented Nov 16, 2018

Experimental settings: Gaussian SVC with C=1, 90/10 train/test split.
"Graph size" baseline is a vector with 2 elements: number of nodes and edges is a particular graph.

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