Source code for pygod.detector.gae

# -*- coding: utf-8 -*-
""" Graph Autoencoder
# Author: Kay Liu <>
# License: BSD 2 clause

import torch
import warnings
import torch.nn.functional as F
from torch_geometric.nn import MLP, GCN

from . import DeepDetector
from ..nn import GAEBase

[docs]class GAE(DeepDetector): """ Graph Autoencoder See :cite:`kipf2016variational` for details. Parameters ---------- hid_dim : int, optional Hidden dimension of model. Default: ``64``. num_layers : int, optional Total number of layers in model. Default: ``4``. dropout : float, optional Dropout rate. Default: ``0.``. weight_decay : float, optional Weight decay (L2 penalty). Default: ``0.``. act : callable activation function or None, optional Activation function if not None. Default: ``torch.nn.functional.relu``. backbone : torch.nn.Module, optional The backbone of the deep detector implemented in PyG. Default: ``torch_geometric.nn.GCN``. recon_s : bool, optional Reconstruct the structure instead of node feature . Default: ``False``. sigmoid_s : bool, optional Whether to use sigmoid function to scale the reconstructed structure. Default: ``False``. contamination : float, optional The amount of contamination of the dataset in (0., 0.5], i.e., the proportion of outliers in the dataset. Used when fitting to define the threshold on the decision function. Default: ``0.1``. lr : float, optional Learning rate. Default: ``0.004``. epoch : int, optional Maximum number of training epoch. Default: ``100``. gpu : int GPU Index, -1 for using CPU. Default: ``-1``. batch_size : int, optional Minibatch size, 0 for full batch training. Default: ``0``. num_neigh : int, optional Number of neighbors in sampling, -1 for all neighbors. Default: ``-1``. verbose : int, optional Verbosity mode. Range in [0, 3]. Larger value for printing out more log information. Default: ``0``. save_emb : bool, optional Whether to save the embedding. Default: ``False``. compile_model : bool, optional Whether to compile the model with ``torch_geometric.compile``. Default: ``False``. **kwargs : optional Other parameters for the backbone. Attributes ---------- decision_score_ : torch.Tensor The outlier scores of the training data. Outliers tend to have higher scores. This value is available once the detector is fitted. threshold_ : float The threshold is based on ``contamination``. It is the :math:`N`*``contamination`` most abnormal samples in ``decision_score_``. The threshold is calculated for generating binary outlier labels. label_ : torch.Tensor The binary labels of the training data. 0 stands for inliers and 1 for outliers. It is generated by applying ``threshold_`` on ``decision_score_``. emb : torch.Tensor or tuple of torch.Tensor or None The learned node hidden embeddings of shape :math:`N \\times` ``hid_dim``. Only available when ``save_emb`` is ``True``. When the detector has not been fitted, ``emb`` is ``None``. When the detector has multiple embeddings, ``emb`` is a tuple of torch.Tensor. """ def __init__(self, hid_dim=64, num_layers=4, dropout=0., weight_decay=0., act=F.relu, backbone=GCN, recon_s=False, sigmoid_s=False, contamination=0.1, lr=4e-3, epoch=100, gpu=-1, batch_size=0, num_neigh=-1, verbose=False, save_emb=False, compile_model=False, **kwargs): if num_neigh != 0 and backbone == MLP: warnings.warn('MLP does not use neighbor information.') num_neigh = 0 self.recon_s = recon_s self.sigmoid_s = sigmoid_s super(GAE, self).__init__(hid_dim=hid_dim, num_layers=num_layers, dropout=dropout, weight_decay=weight_decay, act=act, backbone=backbone, contamination=contamination, lr=lr, epoch=epoch, gpu=gpu, batch_size=batch_size, num_neigh=num_neigh, verbose=verbose, save_emb=save_emb, compile_model=compile_model, **kwargs) def process_graph(self, data): GAEBase.process_graph(data, recon_s=self.recon_s) def init_model(self, **kwargs): if self.save_emb: self.emb = torch.zeros(self.num_nodes, self.hid_dim) return GAEBase(in_dim=self.in_dim, hid_dim=self.hid_dim, num_layers=self.num_layers, dropout=self.dropout, act=self.act, recon_s=self.recon_s, sigmoid_s=self.sigmoid_s, backbone=self.backbone, **kwargs).to(self.device) def forward_model(self, data): batch_size = data.batch_size node_idx = data.n_id x = edge_index = if self.recon_s: s =[:, node_idx] h = self.model(x, edge_index) target = s if self.recon_s else x score = torch.mean(self.model.loss_func(target[:batch_size], h[:batch_size], reduction='none'), dim=1) loss = torch.mean(score) return loss, score.detach().cpu()