Understanding Representation of Deep Equilibrium Models from Neural Collapse Perspective

Deep Equilibrium Model (DEQ), which serves as a typical implicit neural network, emphasizes their memory efficiency and competitive performance compared to explicit neural networks. However, there has been relatively limited theoretical analysis on the representation of DEQ. In this paper, we utilize the Neural Collapse ($\mathcal{NC}$) as a tool to systematically analyze the representation of DEQ under both balanced and imbalanced conditions. $\mathcal{NC}$ is an interesting phenomenon in the neural network training process that characterizes the geometry of class features and classifier weights. While extensively studied in traditional explicit neural networks, the $\mathcal{NC}$ phenomenon has not received substantial attention in the context of implicit neural networks. We theoretically show that $\mathcal{NC}$ exists in DEQ under balanced conditions. Moreover, in imbalanced settings, despite the presence of minority collapse, DEQ demonstrated advantages over explicit neural networks. These advantages include the convergence of extracted features to the vertices of a simplex equiangular tight frame and self-duality properties under mild conditions, highlighting DEQ's superiority in handling imbalanced datasets. Finally, we validate our theoretical analyses through experiments in both balanced and imbalanced scenarios.

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Peer review

Reviewer 6ZyB5/10 · confidence 4/52024-07-08

Summary

The paper analyzes the features of a deep equilibrium model (DEQ) using neural collapse metrics under class-balanced and imbalanced settings. In particular, it is shown that under imbalanced conditions, the class means of features in DEQ are relatively closer to a simplex ETF orientation than in the case of an explicit neural network model (such as ResNet).

Strengths

The paper takes an interesting theoretical view of analyzing the features of deep equilibrium models using the neural collapse metrics. In particular, the paper extends the unconstrained feature model to cases with implicit layers and analyzes the settings under which neural collapse is ideal (with respect to data balancedness).

Weaknesses

1. The paper suffers from major presentation issues. In particular, a lot of notation/formulation errors lead to unclear results. For instance: - In Eq (1) and the text below, the function $\phi()$ is assigned to a matrix without mentioning the class-wise arrangement of the features in matrix $H$. Similarly, in the definition of NC1, the class means vector has a different notation when compared with the one presented in Appendix A (line 482). - The NC2 formulation in Theorem 3.1 is wrong. - $\tau(i)$ in Theorem 3.1 is not defined. - Mismatch in the scale of NC1 values in Figure 3. 2. The author's claim about DEQ reaching lower loss when compared to explicit layers is not validated in the experiments. Especially, the (train) cross-entropy loss is not illustrated. Furthermore, based on the results in Figure 3, it is unclear when the ResNet/DEQ reaches the terminal phase of training (i.e 100% training accuracy). 3. The paper states that DEQ models can be memory efficient, but do not provide any numerical results on the computational benefits of employing them. Also, the experimental results rely on training with a single random seed which is an incomplete measure of good/bad performance.

Questions

1. The experimental setup with ResNet and the DEQ is unclear. Which part of the ResNet is being used as the image encoder? As of now, it seems like only the last ResNet block is reformulated as the DEQ, and all the previous layers are used as the image encoder. Is this observation correct? If that is the case, then what is the computational overhead of the DEQ layer? 2. Based on this setup of replacing only one ResNet block with the DEQ, how does this approach compare to simply fixing the last classifier layer of ResNet as a simplex ETF to address the class-imbalance issue? 3. What happens if we replace more than one block of the ResNet with a DEQ layer? How sensitive is the DEQ layer to learning rate and batch size?

Rating

5

Confidence

4

Soundness

3

Presentation

1

Contribution

3

Limitations

N/A

Reviewer Zj9t6/10 · confidence 3/52024-07-10

Summary

This paper studies the neural collapse (NC) phenomenon in Deep Equilibrium model (DEQ), a competitive implicit neural network model to standard explicit model. The authors compare the theoretical property of DEQ and NN on the layer-peeled model, a simplified model that include the last two layers only. It was shown that under a balanced sample setting, NC happens both in DEQ and standard NN, under an imbalanced sample setting, DEQ exhibits better robustness property in terms of the NC metrics. Experimental results are presented to justify the theoretical analysis on CIFAR10 and CIFAR100, it was shown that DEQ have better performance than standard NN across in various settings.

Strengths

The finding of this paper is novel and interesting, it provides a insightful perspective to understand the advantage of DEQ over the standard NN. The authors provide solid theoretical analysis and experimental results to support the main finding. Overall, the paper is well-organized and easy to follow.

Weaknesses

My major concern of this paper is its contribution and significance. Since the discovery of minority collapse, there has been tons of literature on how to mitigate the minority collapse. For example, Proposition 1 in [1] proves that simply reweighting the samples can mitigate the minority collapse. Therefore, my opinion is that neural collapse analysis can provide limited insight about the advantage of DEQ over standard NN, since the improvement is relatively marginal compared with simple techniques. I would suggest the authors compare the DEQ and standard NN with some standard techniques such as reweighting, and confirm that the advantage indeed have practical influence. [1] Exploring Deep Neural Networks via Layer-Peeled Model: Minority Collapse in Imbalanced Training

Questions

1. The experimental results are limited to ResNet-18 only, I would encourage the authors to perform more extensive evaluation on various architectures to support the finding. 2. The proof needs to be better organized. It will be helpful if the authors can provide an outline of proof in the appendix, restate the main result and break it into several propositions, and add some high level intuition of why DEQ outperforms standard NN. 3. Neural Collapse solutions do not have full rank in general, would that bring issues when writing down the inverse of gradient in equation (3)? 4. In your theoretical analysis, it was assumed that the DEQ is linear with a specific expansion form. The authors should highlight this with a hold out assumption and discuss when it can be satisfied. In particular, what is $W_{\text{DEQ}^i}$ in line 162? Are they being optimized in the programming? In the current form it seems to reduce to simply a linear function $Wx$.

Rating

6

Confidence

3

Soundness

3

Presentation

3

Contribution

2

Limitations

The authors have properly addressed the limitations.

Reviewer a3Sj7/10 · confidence 4/52024-07-11

Summary

This paper investigates the representation of Deep Equilibrium Models (DEQ), highlighting their memory efficiency and competitive performance. Using NC, it shows that DEQ exhibits NC under balanced conditions and maintains advantages in imbalanced settings. Theoretical findings are validated through experiments, demonstrating DEQ's superior handling of imbalanced datasets.

Strengths

1 The paper provides a theoretical analysis of the representation of Deep Equilibrium Models under both balanced and imbalanced conditions using the Neural Collapse phenomenon. This analysis demonstrating DEQ’s advantages over explicit neural networks under some mild conditions. 2 Validation of theoretical insights through experimental results on datasets like Cifar-10 and Cifar-100, enhances the credibility of the findings that the superior performance of DEQ, especially in handling imbalanced datasets. 3 The introduction of the Neural Collapse phenomenon offers a novel perspective on deep representations in implicit neural networks.

Weaknesses

1 The analysis is limited to simple imbalanced scenarios and DEQ models, restricting the generalizability of the findings to more complex real-world situations. 2 While the paper provides valuable theoretical insights and experimental validation in section 5, there may be a need for more in-depth quantitative analysis like statistical analysis to further support the claims and conclusions drawn. 3 The lack of broader experiment for $K_A\neq 3$ in Table 3 may hinder a comprehensive comparison of DEQ with Explicit NN.

Questions

Please see the weaknesses.

Rating

7

Confidence

4

Soundness

3

Presentation

2

Contribution

3

Limitations

The authors have adequately addressed the limitations.

Reviewer C4pT5/10 · confidence 2/52024-07-14

Summary

The author analyzes the DEQ from the prospective of Neural Collapse to demonstrate the reason why DEQ is effective. The Nerual collapse means that at the final phase of training (training error is close to zero), the feature and classifier vector converges to a simplex Equiangular Tight Frame. Neural collapse usually happens in balanced dataset since convergence in some classes in unbalanced dataset is difficult, which is called minority collapse. To analyze neural collapse in DEQ, the author starts from a layer-peeled model, which focus on last-layer features. And they prove that Neural Collapse also happens in DEQ. However, the lower bound of loss function is smaller compared with explicit neural network. In imbalanced dataset, the DEQ also show a smaller lower bound in loss function. One reason is that DEQ can be seen as an infinite layer network, which has better representation capacity. And the repeated iteration of DEQ can mitigate the problem in imbalanced dataset. However, minority collapse also happens in DEQ. The author provide some experiment to prove their claim.

Strengths

1: To analyze the advantage of DEQ from perspective of DEQ is interesting. This paper may bring up some new perspective to analyze DEQ. 2: The author provide analysis on both balanced and imbalanced dataset. 3: The author provide extensive experiment to prove their idea.

Weaknesses

1: The smaller lower bound of loss function may cause overfitting, which may affect the performance in the test phase. Add discussions on this part can be helpful. 2: Maybe add some experiments on dataset other than Cifar can make the conclusion more persuasive.

Questions

See weakness.

Rating

5

Confidence

2

Soundness

3

Presentation

3

Contribution

3

Limitations

NA

Reviewer a3Sj2024-08-09

I appreciate the time and effort taken by the authors on the response to my review, and for addressing each of my concerns in turn. This is a well presented, thorough and novel piece of work. Moreover, this paper explores the connections and differences between implicit and explicit NNs.Two recent papers [p1, p2] bear relevance to the subject of this paper, and should be cited. Overall, I believe this work will be valuable for guiding future theory and practice in DEQs and other implicit networks. As such, I increase my rating to accept. [p1] X. Xie, et al. "Optimization induced equilibrium networks: An explicit optimization perspective for understanding equilibrium models." T-PAMI. [p2] Z. Ling, et al. "Deep Equilibrium Models are Almost Equivalent to Not-so-deep Explicit Models for High-dimensional Gaussian Mixtures." ICML 2024.

Authorsrebuttal2024-08-10

Official Comment by Authors

Thank you for your review and for appreciating our work! We will cite the two papers you mentioned in our final version.

Authorsrebuttal2024-08-10

Please let us know if any further questions!

Dear Reviewers and AC, Thank you for providing valuable comments. We have tried to address the concerns raised by the reviewers. We observe that, except for a3Sj, reviewers have no follow-up comments on our responses. Given the upcoming discussion stage deadline, please let us know if you have further questions. Besides, we would like to sincerely thank reviewer a3Sj for recognizing our contribution and raising their score from 5 to 7. Thanks and best regards. Authors

Reviewer 6ZyB2024-08-11

Thank you for clarifying some of the concerns. 1. Line 259 states that "In this context, accuracy is assessed by averaging the results from the last 10 epochs and computing their standard deviation". How does this relate to the random seed-based std dev results? 2. The author's response to Q3 regarding the terminal phase of training(TPT) in Figure 3 is a bit concerning. Since achieving TPT is the main underlying assumption for NC analysis, my major concern is that since the ResNet itself is not trained to achieve 100% training accuracy (TPT), the claims regarding better DEQ performance/ similar NC might not hold. The early stopping is only necessary to train the DEQ to achieve the best results, but isn't training data interpolation the primary requirement for NC? 3. The authors also mention that training a DEQ leads to training instabilities so they skip some samples (line 255). Can you provide some more context on how many samples are discarded in this fashion? Is it something to worry about?

Authorsrebuttal2024-08-11

Thanks very much for your comments. A1. We are sorry for the misleading. Actually, we ran each experiment five times and then calculated the standard deviation. At each time, we average the results from the last 10 epochs and take this mean value as the result of this time. We didn't choose a specific random seed. During each training session, the results were based on PyTorch's default random seed settings. We will add this clarification in our final version. A2. We select 100 epochs as the early stopping criterion and achieve around 95% training accuracy generally for these experiments. Since our work is primarily theoretical, our experiments aim at validating our theory and observing the trend of NC. DEQ with 95% TPT still has clear advantages in terms of NC values for imbalanced cases compared to the explicit counterpart with 100% TPT. Therefore, we believe this result can validate DEQ’s advantage as claimed in our theory. A3. In our experimental results, using Cifar-100 as an example, less than 1% of the samples are discarded. Given the limited amount of affected data, we believe it is not quite necessary to worry about that.

Reviewer 6ZyB2024-08-11

Thank you for the response. - I understand that training DEQ comes with instabilities and it is difficult to achieve TPT. However, I want to clearly emphasize that the NC metrics can be reduced even before reaching TPT (see Figure 6 in [1] ). However, the validity of neural collapse only comes into play once the network has interpolated the training data. So claiming that DEQ is better than its explicit counterpart (in terms of test performance) when the TPT conditions haven't been reached is not well justified in this context. - Also, the authors said in the A2 response above that *DEQ with 95% TPT still has clear advantages in terms of NC values for imbalanced cases compared to the explicit counterpart with 100% TPT*. What does this mean? Can the authors point me to experiments where they trained the explicit counterpart to 100% training accuracy? (Also please note that it is indeed possible to reach TPT with explicit networks under imbalanced conditions. (See Table 3 in [2]). [1] Papyan, Vardan, X. Y. Han, and David L. Donoho. "Prevalence of neural collapse during the terminal phase of deep learning training." Proceedings of the National Academy of Sciences 117.40 (2020): 24652-24663. [2] Fang, Cong, et al. "Exploring deep neural networks via layer-peeled model: Minority collapse in imbalanced training." Proceedings of the National Academy of Sciences 118.43 (2021): e2103091118. Arxiv link: https://arxiv.org/pdf/2101.12699

Authorsrebuttal2024-08-12

Thanks very much for your further comments. We will first reply to Q2 and then Q1. > Q2: The authors said in the A2 response above that DEQ with 95% TPT still has clear advantages in terms of NC values for imbalanced cases compared to the explicit counterpart with 100% TPT. What does this mean? Can the authors point me to experiments where they trained the explicit counterpart to 100% training accuracy? (Also please note that it is indeed possible to reach TPT with explicit networks under imbalanced conditions. (See Table 3 in [2]). A2: Thanks for your comments. Of course, we agree that explicit neural networks say ResNet, can reach TPT under imbalanced cases. In our previous manuscript, we apply the same training setting (100 epochs) on both the implicit DEQ and explicit ResNet for a fair comparison. We conducted experiments that trained the explicit ResNet until 100 training accuracy, i.e. TPT. In the following table, we present the NC values of ResNet (100 epochs), ResNet (100% training accuracy, i.e. TPT), and DEQ (100 epochs) respectively. The parameters are set as $K_A = K_B = 5$ and $R = 100$. | | ResNet (100 epochs) | ResNet (100% training accuracy, i.e. TPT) | DEQ (100 epochs) | |:---:|:-------:|:-----:|:-----:| | NC1 | 0.0093 | 0.0045 | 0.0009 | | NC2 | 0.7980 | 0.7224 | 0.5312 | | NC3 | 0.7551 | 0.7365 | 0.5743 | Even though ResNet achieves 100% training accuracy, and DEQ (100 epochs) does not fully reach TPT (about 95% training accuracy), DEQ still shows a clear advantage compared to its ResNet in terms of NC values. Note that DEQ can be improved with some techniques as mentioned in [3,4] and may achieve TPT and enjoy even better NC performance; but this is out of our scope. We believe our experiment results are sufficient to show DEQ's advantage compared to its explicit counterpart. We will add these results and analyses in our final version. > Q1: I understand that training DEQ comes with instabilities and it is difficult to achieve TPT. However, I want to clearly emphasize that the NC metrics can be reduced even before reaching TPT (see Figure 6 in [1] ). However, the validity of neural collapse only comes into play once the network has interpolated the training data. So claiming that DEQ is better than its explicit counterpart (in terms of test performance) when the TPT conditions haven't been reached is not well justified in this context. A1: Thanks for pointing out this issue. We found that the results in [1] only show performance under balanced cases, leaving it uncertain whether the results still hold under imbalanced cases. After adding the above experiment results in A2, we believe DEQ's advantage can be verified. Besides, DEQ can be applied with some advanced techniques like monotone operators for more stable results, and some works [2-4] have already demonstrated that its accuracy can surpass traditional Explicit NN, with 100% training accuracy. But this is out of the scope of this paper. Since DEQ shares the same inner structure as standard neural networks, with the only difference being its solution methods, we have reasons to believe that if ResNet continues to improve, DEQ could also improve alongside it. Thank you again for pointing out these issues that help improve our paper quality. We hope that you can reconsider your score. Ref: [1] Prevalence of neural collapse during the terminal phase of deep learning training, PNAS. [2] Deep Equilibrium Models, NeurIPS 2019. [3] Monotone operator equilibrium networks, NeurIPS 2020. [4] Multiscale Deep Equilibrium Models, NeurIPS 2020.

Reviewer 6ZyB2024-08-12

Thanks for presenting the experimental results. It is quite surprising that the NC1, NC2, and NC3 values of DEQ are lower than that of ResNet (with TPT), yet the DEQ can't reach TPT. What can be a possible explanation for that? In particular, how is it possible that in the case of DEQ, the feature class means are well-separated (lower NC1), and tend toward a simplex ETF (NC2), and yet the DEQ can't reach TPT? This seems counter-intuitive to the claim that they are better than simple ResNet's.

Authorsrebuttal2024-08-13

We want to clarify the TPT issue in two scenarios. In balanced case, both Explicit NN and DEQ can reach TPT and achieve sufficient lower NC value. In the imbalanced case, both Explicit NN and DEQ may not show the neural collapse phenomenon even if the models reach TPT. Therefore, we believe that our NC1-NC3 values do not necessarily indicate that the model has been trained to TPT. As shown in Figure 3, the NC values achieved by Explicit NN and DEQ are not sufficiently small to present the neural collapse. But we can still compare the NC values between DEQ and Explicit NN. Specifically, we would like to emphasize the following points in detail: * We do not claim "DEQ can't reach TPT". The reason DEQ does not reach 100% TPT is that under the current vanilla design of DEQ, it is challenging to avoid instability issues. As we analyzed before, integrating some advanced methods such as monotone operators can lead to sufficient training. * Our experimental results indicate that the test results at 100 epochs are not significantly different from those obtained 100% training accuracy. Since DEQ shares the same backbone as the corresponding Explicit NN, we believe that after reaching 100% training accuracy, DEQ can still exhibit better NC performance under imbalanced cases. * Further, the fixed-point iteration contributes to the better representation ability of DEQ. Our Theorem 4 provides theoretical evidence for DEQ's superior NC under imbalanced conditions.

Reviewer 6ZyB2024-08-13

Thank you for the clarifications. I have increased my score, but I would urge the authors to please fix the presentation of the results and incorporate these discussions in the revisions. Especially the TPT aspect. Good luck.

Reviewer Zj9t2024-08-12

Thank you for your detailed response and efforts on additional experiments, my concerns have been properly addressed. I would like to raise my score to weak accept and encourage the authors to improve the presentation of theoretical results in future versions.

Area Chair tSPn2024-08-13

Reviewer C4pT, Could you please check the authors' responses and reply to them? The discussion deadline is coming soon! Regards, AC

Program Chairsdecision2024-09-25

Decision

Accept (poster)

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