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InstanceNorm2d module with lazy initialization of the num_features argument of the InstanceNorm2d that is inferred from the input. The Adversarially Regularized Variational Graph Auto-Encoder model from the "Adversarially Regularized Graph Autoencoder for Graph Embedding" paper. The crystal graph convolutional operator from the "Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties" paper. mathrm{top}_k\) pooling operator from the "Graph U-Nets", "Towards Sparse Hierarchical Graph Classifiers" and "Understanding Attention and Generalization in Graph Neural Networks" papers. Importantly, MultiAggregation provides various options to combine the outputs of its underlying aggegations ( e.

The graph attentional propagation layer from the "Attention-based Graph Neural Network for Semi-Supervised Learning" paper. For example, mean aggregation captures the distribution (or proportions) of elements, max aggregation proves to be advantageous to identify representative elements, and sum aggregation enables the learning of structural graph properties ( Xu et al.Applies the gated linear unit function G L U ( a , b ) = a ⊗ σ ( b ) {GLU}(a, b)= a \otimes \sigma(b) G LU ( a , b ) = a ⊗ σ ( b ) where a a a is the first half of the input matrices and b b b is the second half. Applies layer normalization by subtracting the mean from the inputs as described in the "Revisiting 'Over-smoothing' in Deep GCNs" paper. The Neural Fingerprint model from the "Convolutional Networks on Graphs for Learning Molecular Fingerprints" paper to generate fingerprints of molecules. The ClusterGCN graph convolutional operator from the "Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks" paper. The pathfinder discovery network convolutional operator from the "Pathfinder Discovery Networks for Neural Message Passing" paper.

The hypergraph convolutional operator from the "Hypergraph Convolution and Hypergraph Attention" paper. The FiLM graph convolutional operator from the "GNN-FiLM: Graph Neural Networks with Feature-wise Linear Modulation" paper. The LINKX model from the "Large Scale Learning on Non-Homophilous Graphs: New Benchmarks and Strong Simple Methods" paper. A generic wrapper for computing graph convolution on directed graphs as described in the "Edge Directionality Improves Learning on Heterophilic Graphs" paper. The PointNet set layer from the "PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation" and "PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space" papers.

The Graph Auto-Encoder model from the "Variational Graph Auto-Encoders" paper based on user-defined encoder and decoder models. Applies a multi-layer Elman RNN with tanh ⁡ \tanh tanh or ReLU \text{ReLU} ReLU non-linearity to an input sequence. The edge pooling operator from the "Towards Graph Pooling by Edge Contraction" and "Edge Contraction Pooling for Graph Neural Networks" papers. Convert the output of Captum attribution methods which is a tuple of attributions to two dictionaries with node and edge attribution tensors.

The topology adaptive graph convolutional networks operator from the "Topology Adaptive Graph Convolutional Networks" paper. The Batch Representation Orthogonality penalty from the "Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity" paper.The general, powerful, scalable (GPS) graph transformer layer from the "Recipe for a General, Powerful, Scalable Graph Transformer" paper.

The soft attention aggregation layer from the "Graph Matching Networks for Learning the Similarity of Graph Structured Objects" paper. The chebyshev spectral graph convolutional operator from the "Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering" paper. Applies batch normalization over a batch of features as described in the "Batch Normalization: Accelerating Deep Network Training by Reducing Internal Covariate Shift" paper. The dynamic edge convolutional operator from the "Dynamic Graph CNN for Learning on Point Clouds" paper (see torch_geometric. ConvTranspose2d module with lazy initialization of the in_channels argument of the ConvTranspose2d that is inferred from the input.The self-attention pooling operator from the "Self-Attention Graph Pooling" and "Understanding Attention and Generalization in Graph Neural Networks" papers. Applies the Softmin function to an n-dimensional input Tensor rescaling them so that the elements of the n-dimensional output Tensor lie in the range [0, 1] and sum to 1. The Frequency Adaptive Graph Convolution operator from the "Beyond Low-Frequency Information in Graph Convolutional Networks" paper. The powermean aggregation operator based on a power term, as described in the "DeeperGCN: All You Need to Train Deeper GCNs" paper. Applies layer normalization over each individual example in a batch of heterogeneous features as described in the "Layer Normalization" paper.

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