HC-GAE: The Hierarchical Cluster-based Graph Auto-Encoder for Graph Representation Learning

Graph Auto-Encoders (GAEs) are powerful tools for graph representation learning. In this paper, we develop a novel Hierarchical Cluster-based GAE (HC-GAE), that can learn effective structural characteristics for graph data analysis. To this end, during the encoding process, we commence by utilizing the hard node assignment to decompose a sample graph into a family of separated subgraphs. We compress each subgraph into a coarsened node, transforming the original graph into a coarsened graph. On the other hand, during the decoding process, we adopt the soft node assignment to reconstruct the original graph structure by expanding the coarsened nodes. By hierarchically performing the above compressing procedure during the decoding process as well as the expanding procedure during the decoding process, the proposed HC-GAE can effectively extract bidirectionally hierarchical structural features of the original sample graph. Furthermore, we re-design the loss function that can integrate the information from either the encoder or the decoder. Since the associated graph convolution operation of the proposed HC-GAE is restricted in each individual separated subgraph and cannot propagate the node information between different subgraphs, the proposed HC-GAE can significantly reduce the over-smoothing problem arising in the classical convolution-based GAEs. The proposed HC-GAE can generate effective representations for either node classification or graph classification, and the experiments demonstrate the effectiveness on real-world datasets.

Paper

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Peer review

Reviewer M4BE3/10 · confidence 4/52024-06-21

Summary

This paper proposes a novel Hierarchical Cluster-based Graph Auto-encoder (HC-GAE) for unsupervised graph representation learning. HC-GAE can reduce the over-smoothing problem and generalize to multiple downstream tasks.

Strengths

1. The motivation is clear and easy to understand. 2. The proposed method seems to be simple and effective. 3. This paper is easy to follow.

Weaknesses

1. The novelty is limited. (1) Both the motivations are not novel. Over-smoothing is a classic problem on GNNs and has been discussed for many years. Multi-task ability has also been discussed in previous literature [1], which has much better multi-task performance than the proposed method. (2) The method is not very novel either. The method is just a combination of existing methods (DiffPool, VGAE) with simple modification. 2. One of the motivations of this paper is to enhance the performance of GAEs for multiple downstream tasks, and the authors also emphasize it for the proposed method. Thus the authors are encouraged to conduct experiments on link prediction task, which is also very important in graph learning and very different from node classification and graph classification. If HC-GAE is not designed for this task or cannot perform well on it, the authors should discuss the limitation on downstream tasks and highlight the discussion. 3. The loss function requires to compute multiple KL-divergence, and may require a lot of time to compute. The authors are encouraged to analyze the time and space complexity, and also conduct experiments to show the computational cost. 4. The baselines are not enough and kind of old. The authors are encouraged to include more recent baselines, including auto-encoder based methods (e.g., GraphMAE2 [2]) and contrastive learning based methods (e.g., CCA-SSG [3], GGD [4] and [5]). 5. The authors are also encouraged to include experimental results on more datasets. 6. There is no sensitivity test on the hyper-parameters. [1] Multi-task Self-supervised Graph Neural Networks Enable Stronger Task Generalization. In ICLR 2023. [2] GraphMAE2: A Decoding-Enhanced Masked Self-Supervised Graph Learner. In WWW 2023. [3] From Canonical Correlation Analysis to Self-supervised Graph Neural Networks. In NeurIPS 2021. [4] Rethinking and Scaling Up Graph Contrastive Learning: An Extremely Efficient Approach with Group Discrimination. In NeurIPS 2022 [5] SEGA: structural entropy guided anchor view for graph contrastive learning. In ICML 2023.

Questions

Please refer to "Weaknesses".

Rating

3

Confidence

4

Soundness

1

Presentation

3

Contribution

1

Limitations

Please refer to "Weakness 2".

Authorsrebuttal2024-08-09

About out responses

Dear Reviewers, Thanks for your efforts and the constructive suggestions for this paper. We have provided the response based on your comments. Please read our responses and feel free to discuss with us during the reviewer-author discussion stage, if you have any concerns for our response. Best Regards, The authors

Reviewer M4BE2024-08-12

Thanks for the author's response, but my concerns are not addressed.

Reviewer M4BE2024-08-12

After reading the rebuttal, I feel that my concerns are not addressed. 1. I have listed 6 weak points in the review. However, the authors only give responses to 3 points. 2. I have listed some baselines, including references, but the authors did not use them. Those baselines are very fast to run. Besides, the authors seem to be not familiar with this field 1. I still cannot understand the novelty. This method is just a combination of existing techniques. 1. There have been some surveys on Graph Pooling for Graph Neural Networks [1]. 2. "Hard node assignment" has been widely used in graph coarsening [2, 3, 4, 5, 6, 7, 9]. 3. "Simultaneously reconstruct both the topological structures and the node features" has been used in [7, 8, 10]. 2. The complexity analysis is wrong. In graph neural networks, the adjacency matrices are implemented with sparse matrices, in order to reduce the complexity. Thus the complexity of the DiffPool is $O(|E| + |V| n_1)$ [7], where $|E|$ is the number of edges in the graph, $|V|$ is the number of nodes in the graph, and $n_1$ is the number of nodes after the first coarsening operation. --- [1] Graph Pooling for Graph Neural Networks: Progress, Challenges, and Opportunities. In IJCAI 2023. [2] Training Large-Scale Graph Neural Networks Via Graph Plartial Pooling. IEEE Transactions on Big Data. [3] Efficient Representation Learning of Subgraphs by Subgraph-To-Node Translation. ICLR 2022 workshop. [4] CC-GNN:A Community and Contraction-based Graph Neural Network. In ICDM. [5] SizeShiftReg: a Regularization Method for Improving Size-Generalization in Graph Neural Networks. NeurIPS 2022. [6] SMGRL: A Scalable Multi-resolution Graph Representation Learning Framework. Arxiv [7] GraphZoom: A multi-level spectral approach for accurate and scalable graph embedding. In ICLR 2020. [8] HARP: Hierarchical representation learning for networks. In AAAI 2018. [9] Spectral Clustering with Graph Neural Networks for Graph Pooling. In ICML 2020. [10] Graph U-Nets. In ICML 2019.

Authorsrebuttal2024-08-13

Replying to About out responses

Thank you for the responses as well as the constructive suggestions. After reading the new response from the review, we feel very strange and startled that the reviewer thinks he is not respected during the rebuttal stage. Maybe, there are some unnecessary misunderstandings between us, and we would like to explain in details and again show our respects to the reviewer. Please note, this does not mean that we entreat the acceptance for this paper. In fact, we also know this work still has some weaknesses, since this is the first work of a student who will start his PhD from this September. The other authors have published many top conferences and journals including nearly 30 TPAMI papers, thus we clearly understand the concerns raised by the reviewer, especially for the TOP conference like NIPS. By contrast, we just hope that the rebuttals can really help the student realize the drawbacks of his work, and know how to make this paper more polish in future. First, we have expressed our appreciation for the reviewer's efforts on reviewing this paper. We also thanked the reviewer's suggestions at the beginning of each response. As summary, we also said that "please feel free to discuss with us". Thus, we trust that we have expressed our sincere respects to the reviewer. Second, we have tried our best to answer each of the reviewer's concerns. Because some of the answers simultaneously correspond to more than one point, it just seems that there are only three answers. Specifically, A1 corresponds to the points 1 and 2 raised by the reviewer, A2 corresponds to the point 3 raised by the reviewer, and A3 corresponds the points 4-6 raised by the reviewer, respectively. Third, as explained in the rebuttal, the aim of this paper is not only to utilize the hard node assignment. Moreover, the hard node assignment is not only used to construct the coarsened nodes. More specifically, we employ the hard node assignment to generate a number of separated subgraphs, and perform the subgraph convolution operation to interdict the node information propagation between different subgraphs, reducing the over-smoothing problem. As a result, this is entirely different from most of the existing works. Fourth, thanks for correcting the mistake of the time complexity, and giving these new references. These will enlighten the student's future works. Finally, we thank the reviewer's new suggestions, and we have given our above responses to the new concerns raised by the reviewer. We hope our new response can eliminate the misunderstanding between us, and please trust that we are always appreciated with the reviewer's suggestions. Thank you very much again for the responses. Best Regards, The authors

Reviewer Udb84/10 · confidence 4/52024-07-10

Summary

The paper presents a Hierarchical Cluster-based Graph Auto-Encoder (HC-GAE) for improved graph representation learning. HC-GAE uses hard node assignment for encoding and soft node assignment for decoding; thus, it enables hierarchical compression and expansion of graphs. The authors argue their method can reduce the over-smoothing effect by limiting message-passing to individual subgraphs. HC-GAE effectively improves performance in node and graph classification tasks on real-world datasets.

Strengths

The paper is well-written and includes all the necessary details. The proposed model solves a significant problem in the graph representation community and numerical results are promising.

Weaknesses

The code should be released at the review stage to check reproducibility. Especially for empirical work, releasing codes is a prerequisite for acceptance to me. The proposed HC-GAE is similar to existing models that employ graph auto-encoders with hierarchical (multi-level, multiresolution) pooling (or coarsening). The authors should include a discussion comparing HC-GAE with these models, both qualitatively and quantitatively. Without this discussion, the paper's claim of novelty cannot be highlighted. 1. Graph U-Nets 1. Mesh Variational Autoencoders with Edge Contraction Pooling 1. Masked Graph Auto-Encoder Constrained Graph Pooling 1. GRAPH AUTOENCODER FOR GRAPH COMPRESSION AND REPRESENTATION LEARNING 1. Multiresolution equivariant graph variational autoencoder 1. Hi-GMAE: Hierarchical Graph Masked Autoencoders It is unclear whether the over-smoothing effect does not exist in HC-GAE truly, as there are no experimental results against the number of layers. If GNN is applied to the coarsened graph, message-passing between coarsened nodes will occur, potentially leading to over-smoothing. To support their argument, the authors should empirically validate the claim that HC-GAE reduces over-smoothing (i.e., how performance varies by the number of layers).

Questions

- I think “compressing procedure during the decoding process (line 9 – 10)” should be “compressing procedure during the encoding process”. Is it a typo?

Rating

4

Confidence

4

Soundness

2

Presentation

3

Contribution

2

Limitations

N/A

Authorsrebuttal2024-08-07

The anonymized link for the code requested by the reviewer

The reviewers asked for code during the rebuttal stage, below is the anonymized link for the code. https://anonymous.4open.science/r/HC-GAE-ECD7

Authorsrebuttal2024-08-09

About our responses and the updated anonymous link for the CODE

Dear Reviewers, Thanks for your efforts and the constructive suggestions for this paper. We have provided the response based on your comments. Moreover, we have updated the code requested by the reviewer, please see the anonymous link: https://anonymous.4open.science/r/SSHPool-FB16. Please read our responses and feel free to discuss with us during the reviewer-author discussion stage, if you have any concerns for our response. Best Regards, The authors

Reviewer 94wD8/10 · confidence 4/52024-07-12

Summary

This paper develops a novel GAEs, namely the Hierarchical Cluster-based GAE (HC-GAE) model, to learn effective features for either node classification or graph classification. To extract the bidirectionally hierarchical structural features of the original graph, this paper first utilize the hard node assignment to transform the original graph into a family of coarsened graphs, and then utilize the soft assignment to reconstruct the original graph. During the encoding process the convolution operation is restricted within each separated subgraph, so this HC-GAE can address the shortcoming of over-smoothing problem. This new model has superior performance on both node classification or graph classification tasks.

Strengths

1.The idea of this work is interesting, and the bidirectionally hierarchical structure learning based on the adaptive node assignment seems novel to me. 2.The proposed HC-GAE model is flexible for either node classification or graph classification. 3.The paper is clearly written and easy to follow, and the experimental results also demonstrate the effectiveness of the new HC-GAE model.

Weaknesses

Although this paper introduces a novel graph representation learning method, but some problems still need to be addressed or be clearer. 1.Why the HC-GAE model utilizes the hard and soft assignment for the encoder and decoder respectively? As I see, the author can only use any of these assignment strategies, right? 2.If the hard assignment can help the new model to reduce the over-smoothing problem, how about the soft-assignment? 3.Why the reconstructed features are effective for node classification? Why do not use the middle features? 4.Although this paper is clearly written, but the writing of Section 3 can be more polished.

Questions

See the weakness raised above.

Rating

8

Confidence

4

Soundness

3

Presentation

3

Contribution

4

Limitations

yes

Authorsrebuttal2024-08-09

About our responses

Dear Reviewers, Thanks for your efforts and the constructuve suggestions for this paper. We have provided the response based on your comments. Please read our responses and feel free to discuss with us during the reviewer-author discussion stage, if you have any concerns for our response. Best Regards, The authors

Reviewer 94wD2024-08-12

The responses address my concerns about this paper. Thus, I keep to recommend the acceptance and improve the score of this paper.

Reviewer DgD77/10 · confidence 4/52024-07-13

Summary

The authors propose a new GNN-based representation learning method (HC-GAE), that can abstract effective local node features and global graph features. These features can be used for both node and graph classification. The new HC-GAE method consists of two main computational modules, they are the encoder associated with the hard node assignment, and the decoder associated with the soft assignment. Moreover, the deep representation in the middle layer can be seen as the global graph features, and the output in the last layer can be seen as the local node features. All these features encapsulate bidirectionally hierarchical structural features of the original sample graph based on the hierarchical strategy. Finally, the authors also propose a new loss function for integrating the information from either the encoder or the decoder.

Strengths

1. The idea of this work seems novel and interesting for me, performing the local convolution operation within the separated subgraphs through the hard node assignment not only addresses the over-smoothing problem, but also forms hierarchical representation for the graphs. 2. The descriptions are clear, the experiments demonstrate the effectiveness, and the new model is technical sound.

Weaknesses

Overall, the writing is easy to understand, but I see minor typos or grammar mistakes in Section 3 and 4. I didn’t check these in details, the authors should carefully correct them for the final manuscript. I feel a little strange for the loss function. Because the function tends to minimize the differences of either the structures or the node features between the input (for encoder) and the output (decoder). As I see, if the authors use the output for the node classification, why you do not directly use the original input node features? Or, foe the node classification you eliminate the effects from the node features for the loss function. This is not very clear. Appendix B, what do you mean for Ghazan? I didn’t see any explanation of this word. Is it a kind of alternative method or others? The authors discuss some theoretical advantages of the proposed method in Sec 3.4. But they don’t discuss any reason about why the proposed method performs well in Sec 4. They just simply show the accuracies are better. Some more analysis is needed.

Questions

See the questions I asked in weakness.

Rating

7

Confidence

4

Soundness

3

Presentation

3

Contribution

3

Limitations

Yes

Authorsrebuttal2024-08-09

About our responses

Dear Reviewers, Thanks for your efforts and the constructuve suggestions for this paper. We have provided the response based on your comments. Please read our responses and feel free to discuss with us during the reviewer-author discussion stage, if you have any concerns for our response. Best Regards, The authors

Reviewer Udb82024-08-12

Thank you for opening the codes. I will raise my score to 4. However, I cannot still find a clear difference between the proposed and existing models. About Q&A2-1. Separate subgraph convolution: If the separated subgraph convolution is the first novel contribution that makes a difference, why does the paper focus only on the auto-encoder? Why do the authors not apply this operation for the general GNN layers to reduce the over-smoothing effect? (e.g., separated subgraph GCN, separated subgraph GAT, ...). I cannot find a good reason why this paper is positioned as it is now. About Q&A2-2. Node assignment: From what I understand from the responses and paper description so far, it is difficult to see clear contributions other than a 'combination' of hard and soft assignments. I think existing pool and un-pool methods have used at least one kind of operation in this paper.

Authorsrebuttal2024-08-13

Thanks for your appreciation. We will update our paper, following the reviewer’s suggestions. About Q&A2-1. We think that the separated subgraph convolution has great potential for solving the over-smoothing problem. In future work, we will apply it to improve the GNN layers. Thanks for your advice about the separated subgraph convolution. It helps us recognize the worth of the proposed convolution operation. In this paper, we focus more on the graph representation learning and the multiple downstream tasks. About Q&A2-2. Node assignment is one of the key contributions mentioned in our paper, but not all. To explain in detail, we summarize our contributions as follows. The first contribution of the proposed HC-GAE model is that it performs the subgraph convolution operation in each individual subgraph. Compared to the other hierarchical GAEs, our subgraph generation reduces the information propagation through edges, which is the main factor of the over-smoothing. On the other hand, we adopt the soft node assignment to reconstruct the original graph structure in the decoding. And the outputs of the decoder can be employed as the node-level representations. Since the HC-GAE is based on the hierarchical framework, it can effectively extract bidirectionally hierarchical structural features, training for multiple downstream tasks. Second, we re-design the loss function to be suitable for our model on multiple downstream tasks. Since the HC-GAE generates the bidirectionally hierarchical structural features beyond the original GAEs, the traditional loss function might neglect their rich semantics in training. The existing hierarchical pool methods or un-pool methods hardly discuss the loss related to the bidirectionally hierarchical features. Last but not least, we realize the improvement of the hierarchical GAE performance. The results show that our model effectively learns the graph representations for multiple downstream tasks.

Reviewer DgD72024-08-12

The authors’ responses seem reasonable for my questions. Please revise the paper as promised in the rebuttal.

Program Chairsdecision2024-09-25

Decision

Accept (poster)

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