彭司实验室

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==== 论文 ====

====== Python ======

========= Tensorflow =========

======= PyTorch =======

===== Keras =====

==== 专题 ====

==== 链接 ====

==== 视频 ====

======= 药物设计 =======

======= 材料科学 =======

============ 经济学与金融学 ============

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========== 图神经网络 ==========

PyG spektral DGL 图卷积网络 图注意力网络 图自编码器 图生成网络 图时空网络 图神经网路与药物设计 图网络数据

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官网	介绍	教程	视频	FAQ
GitHub	例子			Spektral要览

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Getting started Graphs Adjacency matrix Node features Edge features Labels  Datasets Creating a GNN Training the GNN Loaders Evaluating the GNN Node-level learning

Data modes Single mode Disjoint mode Batch mode Mixed mode

Creating a Custom Dataset Essential information Example

Creating a Message-Passing Layer 、 Essential information Example Notes

Examples Node-level prediction Citation networks with GCN Citation networks with GCN (custom training loop) Citation networks with ChebConv Citation networks with GAT Citation networks with GAT (custom training loop) Citation networks with ARMA Citation networks with SimpleGCN (custom transform) Open Graph Benchmark dataset Graph-level prediction General GNN Custom dataset OGB mol-hiv classification (edge attributes) QM9 regression with ECC (custom training loop) QM9 regression with ECC (batch mode) TUDataset classification with GIN TUDataset classification with MinCut pooling   Other applications Graph signal classification on MNIST (mixed mode) Node clustering on citation networks with MinCut pooling (unsupervised)

Convolutional layers MessagePassing AGNNConv APPNPConv ARMAConv ChebConv CrystalConv DiffusionConv ECCConv EdgeConv GATConv GatedGraphConv GCNConv GeneralConv GCSConv GINConv GraphSageConv TAGConv XENetConv

Pooling layers DiffPool MinCutPool SAGPool TopKPool

Global pooling layers GlobalAvgPool GlobalMaxPool GlobalSumPool GlobalAttentionPool GlobalAttnSumPool SortPool

Base layers InnerProduct Disjoint2Batch MinkowskiProduct

Models GCN GeneralGNN GNNExplainer

Containers Graph Dataset Data utils to_disjoint to_batch to_mixed batch_generator to_tf_signature

Datasets Citation GraphSage PPI Reddit MNIST ModelNet OGB QM7 QM9 TUDataset

Loaders Loader SingleLoader DisjointLoader BatchLoader PackedBatchLoader MixedLoader

Transforms AdjToSpTensor ClusteringCoeff Constant Delaunay Degree GCNFilter LayerPreprocess NormalizeAdj NormalizeOne NormalizeSphere OneHotLabels

Convolution degree_matrix degree_power normalized_adjacency laplacian normalized_laplacian rescale_laplacian add_self_loops gcn_filter chebyshev_polynomial chebyshev_filter

Miscellaneous pad_jagged_array one_hot label_to_one_hot flatten_list

External resources

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