Graph Classification via Discriminative Edge Feature Learning

2025-04-22 0 0 2.83MB 11 页 10玖币
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Graph Classification via Discriminative Edge Feature Learning
Yang Yia, Xuequan Lua,, Shang Gaoa, Antonio Robles-Kellya, Yuejie Zhangb
aSchool of Information Technology, Deakin University, Waurn Ponds, Victoria 3216, Australia
bSchool of Computer Science, Fudan University, Shanghai, 200433, China
Abstract
Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classi-
fication tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting
edge feature learning and failing to get an optimal graph structure. Moreover, many existing graph datasets do not
provide initialized edge features, further restraining the ability of learning edge features via spectral GCNNs. In
this paper, we try to address this issue by designing an edge feature scheme and an add-on layer between every two
stacked graph convolution layers in GCNN. Both are lightweight while eective in filling the gap between edge fea-
ture learning and performance enhancement of graph classification. The edge feature scheme makes edge features
adapt to node representations at dierent graph convolution layers. The add-on layers help adjust the edge features to
an optimal graph structure. To test the eectiveness of our method, we take Euclidean positions as initial node features
and extract graphs with semantic information from point cloud objects. The node features of our extracted graphs are
more scalable for edge feature learning than most existing graph datasets (in one-hot encoded label format). Three
new graph datasets are constructed based on ModelNet40, ModelNet10 and ShapeNet Part datasets. Experimental
results show that our method outperforms state-of-the-art graph classification methods on the new datasets by reach-
ing 96.56% overall accuracy on Graph-ModelNet40, 98.79% on Graph-ModelNet10 and 97.91% on Graph-ShapeNet
Part. The constructed graph datasets will be released to the community.
Keywords:
GCNNs, graph construction, graph datasets, graph classification
1. Introduction
In recent years, graph neural networks (GNNs) have been making advances in tasks such as graph classification,
node classification and link prediction. For example, benefiting from the diversity and generality of graph represen-
tation, GNNs have been applied to biochemistry [1, 2, 3, 4, 5], recommendation system [6, 7, 8], computer vision
[9, 10, 11, 12], natural language processing [13, 14, 15] and many other fields [16, 17, 18]. Since graph is a spe-
cial manifold structure that does not possess translation invariance property, traditional convolutional neural networks
(CNNs) cannot be directly used on graphs. Earlier works [19, 20, 21] are based on spatial domain’s GCNNs and
support the transformation from non-Euclidean data to Euclidean data by fixing the number and order of nodes of
graphs. Further, they accomplish the message propagation by constructing node feature aggregation function.
In contrast, spectral GCNNs [22, 23, 24, 25, 26] perform feature aggregation for neighbouring nodes by con-
structing the convolution operators on graphs. The third-generation graph convolution layer [27], which is the most
commonly used today, is simplified from the first two generations [23, 24] and has yielded encouraging results on
node classification and graph classification. However, the graph convolution layer disregards edge feature learning
while aggregating node features, thus limiting the learning ability of spectral GCNNs at the graph structure level.
Corresponding author
Email addresses: yang.yi@deakin.edu.au (Yang Yi), xuequan.lu@deakin.edu.au (Xuequan Lu), shang.gao@deakin.edu.au
(Shang Gao), antonio.robles-kelly@deakin.edu.au (Antonio Robles-Kelly), yjzhang@fudan.edu.cn (Yuejie Zhang)
arXiv:2210.02060v1 [cs.CV] 5 Oct 2022
Moreover, most commonly used graph classification datasets [28, 29, 30, 31] provide graphs without edge features,
which prevents the spectral GCNNs from exploiting graph structure information when applied in graph-level tasks.
Node features of graphs are normally represented by one-hot encoded labels in most existing graph classification
datasets. This significantly constrains spectral GCNNs from using these features in a more flexible way. Some graph-
based point cloud classification networks [9, 10, 11, 12] take the positions of point clouds in Euclidean space as node
features and use the Euclidean distance between nodes to compute edge features. This method greatly promotes the
scalability of both the node and edge features. The results in [24] also show that implementing Euclidean data on
GCNNs are as feasible as classical CNN approaches.
In this paper, we design a novel edge feature scheme and an add-on layer between every two stacked graph
convolution layers to better exploit the relationship between the connected nodes of graph. Unlike the default uniform
weights (e.g., 1.0 for each edge), edge features are calculated by edge feature scheme in a weighted manner. The
add-on layer takes the hidden representation of each node from the previous graph convolution layer and generates
a matrix for updating the calculated edge features. In this way, discriminative edge features can be produced and
updated, further facilitating the graph feature learning at the next graph convolution layer. We use graphs derived
from point cloud objects to examine our approach due to the scalability of point clouds’ node and edge features in
Euclidean space.
Specifically, graphs are constructed by extracting a key node from each part (or cluster) of the point cloud, where
the semantic information is encoded. To obtain part labels, we register the source point cloud (without part labels)
with a target template point cloud (with part labels) and assign the point in the source with the label of the template
counterpart that is the nearest point to that source point. Our approach is validated on ModelNet40 [32], ModelNet10
[32] and ShapeNet Part [33] datasets. Results show that our approach eectively improves the learning capability
of the graph convolution layer and outperforms other state-of-the-art graph classification methods on our constructed
graph datasets, reaching 96.56% overall accuracy on ModelNet40 [32], 98.79% on ModelNet10 [32], and 97.91% on
ShapeNet Part dataset [33].
Our main contributions are summarized as follows.
We propose novel graph classification method for better classification performance.
We develop an edge feature scheme and an add-on layer for discriminative feature learning.
We create corresponding graph datasets based upon ModelNet40, ModelNet10 and ShapeNet Part datasets and
will release them to the community.
State-of-the-art classification performances are achieved on our generated graph datasets.
2. Related Work
2.1. Graph Convolutional Neural Networks
Graph Convolutional Neural Networks (GCNNs) have been applied in multiple tasks, e.g., graph regression, clas-
sification and generation, node classification, regression and edge prediction. There are abundant graph datasets
available for biochemistry [30, 28, 31], citation network [34, 35, 36] and social networking [37, 38, 39]. Although
graph-based classification methods mentioned in Sec. 1 constructed graphs for point clouds, there still lack unified
graph datasets for [32]. According to the way of defining the graph convolution operator, GCNNs can be divided into
two categories as follows:
Spatial methods focus on the node domain by aggregating the features of each central node and its neighbouring
nodes. E.g., GAT [40] mainly focused on learning from nodes instead of structure. It defined feature aggregation
functions depending on the attention mechanism, and the edge feature was replaced by a normalized attention coe-
cient between nodes. GraphSAGE [38] borrowed the idea of mini-batch to perform random sampling of neighbouring
nodes. An aggregation function was also used to update the global features of nodes, thus giving the model the ability
of learning inductively.
Spectral methods complete feature aggregation between nodes in the spectral domain. Spectral CNN [22] was the
first proposal that constructed a spectral convolutional neural network with convolutional operators on graphs. Based
on the convolution theorem, it realized the graph convolution and information aggregation between nodes. GCN [27]
2
simplified the Chebyshev network [23], where a first-order GCNN was implemented and realized for applications in
semi-supervised learning scenarios. Focusing on the graph classification task, Zhang et al. [25] implemented GCN
and added a sort pooling layer to form a DGCNN model. It took the sort pooling layers to solve the standard problem
of sorting vertices. The formula derivation showed that the output order of the sort-pooling layer was consistent with
the structural roles of the nodes.
2.2. Point Cloud Part Segmentation
Supervised part segmentation techniques [41, 42, 43, 44, 45] for point clouds have been evolving rapidly due to
the increasing availability of human-annotated datasets [46, 33]. Unlike the supervised methods taking fixed annota-
tions for segmented parts, semi-supervised and unsupervised methods provide ways for part representation learning.
CoSegNet [47] took the unsegmented shapes in ComplementMe dataset [48] as training input to create part collec-
tions. The output was K-way labelled objects, where K denoted the upper bound of the part numbers. BAE-NET
[49] implemented a branched autoencoder network that minimized the loss by reconstructing the inside-outside status
between points and shapes to obtain the simplest representations of part collections. PartNet [50] output an unfixed
part number for each class based on the complexity of the object’s geometric structure. RIMNet [51] recursively
decomposed the point cloud into two parts and output hierarchical shape structures. It was the first fully unsupervised
segmentation method without requiring any ground-truth segmented objects. Although all of these Co-Segmentation
methods segment point clouds automatically, they all require separate training for a particular class and cannot achieve
user-defined segmentation results.
3. Method
In this section, we firstly explain the method to constructing the graph from a point cloud object. Then, we show
how our spectral GCNN is designed to better facilitate the classification task.
3.1. Semantic Graph Construction
Parts of a point cloud (e.g., two wings of an airplane) provide semantic information, which usually represent
a common characteristic in the same point cloud class and can eectively help with the classification task. Based
on this, points that are selected from those parts are discriminative, and further simple operations on these points
are available to generate a graph. Therefore, we divide the semantic graph construction task into two steps: part
annotation generation and graph extraction.
3.1.1. Part annotation generation
ICP algorithm (iterative closest point) [52] is chosen to generate the part annotation. We select at least one
template point cloud with part labels for each point cloud category, and these template point clouds can be easily
obtained by selecting a few point clouds from the target dataset and annotate their parts manually. Provided this,
we can encode semantic part information by registering the template point cloud with those unlabelled point clouds.
Given an unlabeled point cloud as source Psand a template point cloud as target Pt, the nearest neighbours of Psin
Ptas Ps
t, and point psPs,ptPtand ps
tPs
t, the point cloud registration problem can be solved by minimizing
the following function E:
E(Ps,Pt)=min 1
|Ps|
|Ps|
X
s=1
ps
t(Rps+T)
2,(1)
where Ris a rotation matrix and Tis a translation vector. Both of them can be calculated with Singular Value
Decomposition (SVD). After certain iterations or reaching the convergence on E, the part label of each point in Ps
t
will be allocated to points in Psaccordingly. This allows us to encode the semantic part information for the unlabeled
point cloud.
3
摘要:

GraphClassicationviaDiscriminativeEdgeFeatureLearningYangYia,XuequanLua,,ShangGaoa,AntonioRobles-Kellya,YuejieZhangbaSchoolofInformationTechnology,DeakinUniversity,WaurnPonds,Victoria3216,AustraliabSchoolofComputerScience,FudanUniversity,Shanghai,200433,ChinaAbstractSpectralgraphconvolutionalneura...

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