Preface |
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xiii | |
Acknowledgments |
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xvii | |
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1 Deep Learning on Graphs: An Introduction |
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1 | (14) |
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1 | (1) |
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1.2 Why Deep Learning on Graphs? |
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1 | (2) |
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1.3 What Content Is Covered? |
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3 | (3) |
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1.4 Who Should Read This Book? |
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6 | (2) |
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1.5 Feature Learning on Graphs: A Brief History |
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8 | (5) |
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1.5.1 Feature Selection on Graphs |
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9 | (1) |
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1.5.2 Representation Learning on Graphs |
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10 | (3) |
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13 | (1) |
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13 | (2) |
Part I Foundations |
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15 | (58) |
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17 | (26) |
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17 | (1) |
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2.2 Graph Representations |
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18 | (1) |
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2.3 Properties and Measures |
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19 | (7) |
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19 | (2) |
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21 | (2) |
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23 | (3) |
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2.4 Spectral Graph Theory |
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26 | (3) |
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26 | (2) |
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2.4.2 The Eigenvalues and Eigenvectors of the Laplacian Matrix |
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28 | (1) |
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2.5 Graph Signal Processing |
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29 | (4) |
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2.5.1 Graph Fourier Transform |
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30 | (3) |
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33 | (6) |
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2.6.1 Heterogeneous Graphs |
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33 | (1) |
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33 | (1) |
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2.6.3 Multidimensional Graphs |
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34 | (1) |
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35 | (1) |
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36 | (1) |
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37 | (2) |
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2.7 Computational Tasks on Graphs |
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39 | (3) |
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39 | (2) |
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2.7.2 Graph-Focused Tasks |
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41 | (1) |
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42 | (1) |
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42 | (1) |
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3 Foundations of Deep Learning |
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43 | (30) |
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43 | (1) |
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3.2 Deep Feedforward Networks |
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44 | (7) |
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46 | (1) |
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3.2.2 Activation Functions |
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47 | (3) |
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3.2.3 Output Layer and Loss Function |
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50 | (1) |
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3.3 Convolutional Neural Networks |
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51 | (8) |
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3.3.1 The Convolution Operation and Convolutional Layer |
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52 | (4) |
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3.3.2 Convolutional Layers in Practice |
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56 | (1) |
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3.3.3 Nonlinear Activation Layer |
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57 | (1) |
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58 | (1) |
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3.3.5 An Overall CNN Framework |
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58 | (1) |
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3.4 Recurrent Neural Networks |
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59 | (4) |
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3.4.1 The Architecture of Traditional RNNs |
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60 | (1) |
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3.4.2 Long Short-Term Memory |
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61 | (2) |
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3.4.3 Gated Recurrent Unit |
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63 | (1) |
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63 | (4) |
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3.5.1 Undercomplete Autoencoders |
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65 | (1) |
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3.5.2 Regularized Autoencoders |
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66 | (1) |
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3.6 Training Deep Neural Networks |
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67 | (4) |
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3.6.1 Training with Gradient Descent |
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67 | (1) |
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68 | (3) |
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3.6.3 Preventing Overfitting |
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71 | (1) |
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71 | (1) |
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72 | (1) |
Part II Methods |
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73 | (132) |
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75 | (32) |
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75 | (2) |
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4.2 Graph Embedding for Simple Graphs |
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77 | (17) |
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4.2.1 Preserving Node Co-occurrence |
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77 | (9) |
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4.2.2 Preserving Structural Role |
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86 | (3) |
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4.2.3 Preserving Node Status |
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89 | (2) |
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4.2.4 Preserving Community Structure |
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91 | (3) |
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4.3 Graph Embedding on Complex Graphs |
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94 | (11) |
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4.3.1 Heterogeneous Graph Embedding |
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94 | (2) |
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4.3.2 Bipartite Graph Embedding |
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96 | (1) |
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4.3.3 Multidimensional Graph Embedding |
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97 | (2) |
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4.3.4 Signed Graph Embedding |
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99 | (3) |
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4.3.5 Hypergraph Embedding |
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102 | (2) |
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4.3.6 Dynamic Graph Embedding |
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104 | (1) |
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105 | (1) |
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106 | (1) |
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107 | (31) |
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107 | (2) |
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5.2 The General GNN Frameworks |
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109 | (3) |
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5.2.1 A General Framework for Node-Focused Tasks |
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109 | (1) |
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5.2.2 A General Framework for Graph-Focused Tasks |
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110 | (2) |
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112 | (16) |
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5.3.1 Spectral-Based Graph Filters |
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112 | (10) |
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5.3.2 Spatial-Based Graph Filters |
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122 | (6) |
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128 | (7) |
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129 | (1) |
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5.4.2 Hierarchical Graph Pooling |
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130 | (5) |
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5.5 Parameter Learning for Graph Neural Networks |
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135 | (1) |
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5.5.1 Parameter Learning for Node Classification |
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135 | (1) |
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5.5.2 Parameter Learning for Graph Classification |
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136 | (1) |
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136 | (1) |
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137 | (1) |
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6 Robust Graph Neural Networks |
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138 | (24) |
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138 | (1) |
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6.2 Graph Adversarial Attacks |
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138 | (13) |
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6.2.1 Taxonomy of Graph Adversarial Attacks |
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139 | (2) |
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141 | (3) |
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144 | (4) |
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148 | (3) |
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6.3 Graph Adversarial Defenses |
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151 | (9) |
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6.3.1 Graph Adversarial Training |
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152 | (2) |
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154 | (1) |
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155 | (4) |
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6.3.4 Graph Structure Learning |
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159 | (1) |
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160 | (1) |
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160 | (2) |
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7 Scalable Graph Neural Networks |
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162 | (14) |
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162 | (4) |
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7.2 Node-wise Sampling Methods |
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166 | (2) |
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7.3 Layer-wise Sampling Methods |
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168 | (4) |
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7.4 Subgraph-wise Sampling Methods |
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172 | (2) |
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174 | (1) |
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175 | (1) |
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8 Graph Neural Networks for Complex Graphs |
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176 | (12) |
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176 | (1) |
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8.2 Heterogeneous Graph Neural Networks |
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176 | (2) |
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8.3 Bipartite Graph Neural Networks |
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178 | (1) |
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8.4 Multidimensional Graph Neural Networks |
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179 | (2) |
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8.5 Signed Graph Neural Networks |
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181 | (3) |
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8.6 Hypergraph Neural Networks |
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184 | (1) |
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8.7 Dynamic Graph Neural Networks |
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185 | (2) |
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187 | (1) |
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187 | (1) |
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9 Beyond GNNs: More Deep Models on Graphs |
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188 | (17) |
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188 | (1) |
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9.2 Autoencoders on Graphs |
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189 | (2) |
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9.3 Recurrent Neural Networks on Graphs |
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191 | (2) |
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9.4 Variational Autoencoders on Graphs |
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193 | (6) |
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9.4.1 Variational Autoencoders for Node Representation Learning |
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195 | (1) |
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9.4.2 Variational Autoencoders for Graph Generation |
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196 | (3) |
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9.5 Generative Adversarial Networks on Graphs |
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199 | (4) |
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9.5.1 Generative Adversarial Networks for Node Representation Learning |
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200 | (1) |
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9.5.2 Generative Adversarial Networks for Graph Generation |
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201 | (2) |
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203 | (1) |
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203 | (2) |
Part III Applications |
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205 | (60) |
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10 Graph Neural Networks in Natural Language Processing |
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207 | (15) |
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207 | (1) |
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10.2 Semantic Role Labeling |
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208 | (3) |
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10.3 Neural Machine Translation |
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211 | (1) |
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211 | (2) |
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213 | (3) |
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10.5.1 The Multihop QA Task |
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213 | (1) |
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214 | (2) |
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10.6 Graph to Sequence Learning |
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216 | (2) |
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10.7 Graph Neural Networks on Knowledge Graphs |
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218 | (3) |
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10.7.1 Graph Filters for Knowledge Graphs |
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218 | (1) |
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10.7.2 Transforming Knowledge Graphs to Simple Graphs |
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219 | (1) |
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10.7.3 Knowledge Graph Completi6n |
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220 | (1) |
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221 | (1) |
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221 | (1) |
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11 Graph Neural Networks in Computer Vision |
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222 | (14) |
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222 | (1) |
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11.2 Visual Question Answering |
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222 | (5) |
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224 | (1) |
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11.2.2 Images and Questions as Graphs |
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225 | (2) |
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11.3 Skeleton-Based Action Recognition |
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227 | (2) |
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11.4 Image Classification |
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229 | (4) |
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11.4.1 Zero-Shot Image Classification |
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230 | (1) |
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11.4.2 Few-Shot Image Classification |
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231 | (1) |
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11.4.3 Multilabel Image Classification |
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232 | (1) |
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11.5 Point Cloud Learning |
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233 | (1) |
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234 | (1) |
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235 | (1) |
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12 Graph Neural Networks in Data Mining |
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236 | (16) |
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236 | (1) |
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236 | (8) |
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12.2.1 Social Network Analysis |
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237 | (3) |
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12.2.2 Recommender Systems |
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240 | (4) |
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244 | (3) |
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12.3.1 Traffic Prediction |
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244 | (2) |
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12.3.2 Air Quality Forecasting |
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246 | (1) |
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12.4 Cybersecurity Data Mining |
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247 | (3) |
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12.4.1 Malicious Account Detection |
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247 | (2) |
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12.4.2 Fake News Detection |
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249 | (1) |
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250 | (1) |
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251 | (1) |
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13 Graph Neural Networks in Biochemistry and Health Care |
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252 | (13) |
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252 | (1) |
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13.2 Drug Development and Discovery |
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252 | (6) |
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13.2.1 Molecule Representation Learning |
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253 | (1) |
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13.2.2 Protein Interface Prediction |
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254 | (2) |
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13.2.3 Drug-Target Binding Affinity Prediction |
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256 | (2) |
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13.3 Drug Similarity Integration |
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258 | (1) |
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13.4 Polypharmacy Side Effect Prediction |
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259 | (3) |
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262 | (2) |
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264 | (1) |
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264 | (1) |
Part IV Advances |
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265 | (24) |
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14 Advanced Topics in Graph Neural Networks |
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267 | (14) |
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267 | (1) |
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14.2 Deeper Graph Neural Networks |
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268 | (3) |
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270 | (1) |
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270 | (1) |
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270 | (1) |
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14.3 Exploring Unlabeled Data via Self-Supervised Learning |
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271 | (4) |
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14.3.1 Node-Focused Tasks |
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271 | (3) |
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14.3.2 Graph-Focused Tasks |
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274 | (1) |
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14.4 Expressiveness of Graph Neural Networks |
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275 | (4) |
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14.4.1 Weisfeiler-Lehman Test |
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276 | (2) |
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278 | (1) |
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279 | (1) |
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279 | (2) |
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15 Advanced Applications in Graph Neural Networks |
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281 | (8) |
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281 | (1) |
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15.2 Combinatorial Optimization on Graphs |
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281 | (2) |
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15.3 Learning Program Representations |
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283 | (2) |
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15.4 Reasoning Interacting Dynamical Systems in Physics |
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285 | (1) |
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286 | (1) |
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286 | (3) |
Bibliography |
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289 | (26) |
Index |
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315 | |