PaperHub
5.0
/10
Rejected3 位审稿人
最低5最高5标准差0.0
5
5
5
3.0
置信度
正确性2.3
贡献度2.3
表达2.3
ICLR 2025

Glocal Hypergradient Estimation with Koopman Operator

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提交: 2024-09-26更新: 2025-02-05
TL;DR

improving gradient-based hyperparameter optimization by predicting global hypergradient from local hypergradients

摘要

关键词
gradient-based hyperparameter optimizationkoopman operator theorydynamical systems

评审与讨论

审稿意见
5

This work considers the problem of hyperparameter optimization for bilevel optimization problems. By leveraging Koopman operator theory, the authors provide a method to estimate global hypergradients (usually only available after fully solving the inner problem) with local hypergradient trajectories (partial solution trajectories of the inner prolbem).

优点

I'm on the fence on this submission -- the method is well-motivated and the derivation is for the most part clear, but I felt that the experimental results are somewhat of a let down.

  • The paper is overall well-written, with a few minor typos. The authors do an admirable job of making their theory tractable and easy to read.
  • Meta optimization is an important problem and the research setting is well-motivated.
  • The authors provide a thorough runtime comparison and associated discussion, which shows that their approach is as computationally efficient as using local hypergradient.

缺点

  1. I'm somewhat suspicious of the handwaving around non-unit eigenvalues. Specifically, consider the section from line 246 - 252, where basically all eigenvalues besides those which are equal to one are discarded. Is there any theoretically grounded explanation from doing so? If the koopman operator says that the global hypergradients should oscillate, when intervene and artificially eliminate those modes? Similarly, when solving the DMD for KK as in (9), I don't see why you would get modes with an eigenvalue exactly equal to one as there is random noise in the collected hypergradient data.
  2. The experiment settings are minimal, and only involve relatively simple image classification tasks.
  3. The experimental results somewhat conflict with the aims of the paper. Namely, the performance of the global hyperparameter estimation degrades severely in the bottom-left panel of Figure 2. In Figures C.2 and C.3 in the appendix are even worse. The appendix briefly mentions "loss explosion," but a further discussion is warranted, since my impression is that the whole point of this paper is to provide a fast way of approximating the "gold-standard" global hypergradients!
  4. Additional baselines of estimating the global hypergradient should be considered. At least: simply using the hypergradient at iteration τ\tau as a substitute for hTh_T (just once, not continuing to train as in local hypergradient estimation).

问题

Comments & questions

  1. I suggest mentioning, at least in passing, the initialization of θ0\theta_0 beneath equation (4).
  2. Minor notational note: in your problem formulation, you are adopting the convention of outer-level symbol carrying an additional tilde. The parameters are the exception (θ\theta vs ϕ\phi); however, for the optimization algorithm, you are using capital Θ\Theta and Θ~\tilde \Theta. I like having separate symbols for the parameters, so for consistency I would recommend using a capital Φ\Phi instead of Θ~\tilde \Theta for the outer-level gradient step. Or find a non-theta symbol to use to denote an optimization step. Just a suggestion, I'll leave it up to the authors.
  3. In equation (8), why do terms which diverge (λj>1|\lambda_j| > 1) no longer appear in the expression? I would think that they would dominate all other modes.
  4. For what trajectory xtx_t is (9) being solved? Wouldn't it make sense to look at many trajectories from different initial conditions?
  5. I'm confused about the implications of the bound in Theorem 3.1. The bound aggregates terms corresponding to non-unit eigenvalues, presumably becasue these were discarded previously (see Weakness 1). Wouldn't your theorem suggest that including these terms would result in less estimation error?
  6. I don't understand the measurement defined in line 345. How can the measurement function depend on future hypergradients, some of which potentially haven't been computed yet? For example, how would you compute g(ht)g(h_{t^*}) where tt^* is the biggest index in Is\mathcal{I}_s?

Minor notes:

  • Line 123: "global hypergardient"
  • Line 167: the inputs and outputs of gg should be clarified; I presume g:RmRg: R^m \to R
  • Line 172: mixing up ϕ\phi and φ\varphi
  • Line 234: "as in Section 2.3"
  • Line 334: "outer steps"
  • Figure 4: periods after left/middle/right
评论

Thank you for the insightful comments. Below, we answer your questions and concerns.


  • W1: The existence of unit eigenvalues is derived from the assumption of the stable hypergradient after a long period of training. In the experiments, we tried to make the dynamics less noisy by using larger batch sizes.
  • W2: We adopted simple image classification tasks to make the dynamics less stochastic.
  • W3: The global method inevitably accumulates numerical errors over long-horizon, causing gradient explosion or vanishing (L149), similar to the training of pure RNNs. Since the proposed method relies on short-horizon information, it successfully avoids this issue. We will discuss this problem more carefully.
  • W4: Thank you for suggesting another baseline that truncates the global method. We included the comparison in Fig C6 of the updated manuscript.

  • Q1, Q2: Thank you for the comments. We updated the manuscript accordingly.
  • Q3: We fixed the explanation as “if the dynamics involve no diverging modes” and the equation as g(x)j:λj=1λjt1φj(x0)vj.g(x_\infty)\approx \sum_{j: |\lambda_j|=1}\lambda_j^{t-1} \varphi_j(x_0) v_j.
  • Q4: x0,,xtx_0, \dots, x_t is a trajectory of a dynamical system xt+1=f(xt)x_{t+1}=f(x_t).
  • Q5: In Eq 8, we discuss the state after convergence. For finite time steps TT, the effect of modes with eigenvalues smaller than 1 is not negligible.
  • Q6: This measurement function is applied to a batch of observations [h0,,hτ][h_0, \dots, h_\tau] and converts it to [k0,,kτm+1][k_0, \dots, k_{\tau-m+1}], where kt=[ht,,ht+m1]k_t=[h_t,\dots,h_{t+m-1}]. Thus, we do not need to compute g(ht)g(h_{t^*}), where tt^* is the biggest index in Is\mathcal{I}_s. We updated the description accordingly.
审稿意见
5

This paper proposes a novel method called glocal hypergradient estimation for hyperparameter optimization. This method combines the computational efficiency of local hypergradients with the reliability of global hypergradients. It utilizes Koopman operator theory to approximate global hypergradients from the trajectory of local hypergradients, enabling efficient and effective hyperparameter updates. Finally, the paper validates the effectiveness of the proposed method in hyperparameter optimization through experiments.

优点

  1. The integration of Koopman operator theory to enhance hypergradient estimation is a novel approach, offering a fresh perspective on hyperparameter optimization.

  2. The method significantly reduces computational costs compared to traditional global hypergradient approaches.

  3. The approach is scalable to large-scale problems, making it applicable to real-world deep learning tasks. Furthermore, the paper provides numerical experiments demonstrating the method's effectiveness in various scenarios.

缺点

  1. Algorithm 1 and Theorem 3.1 rely on assumptions about the spectral radius and stability, which may not hold in all cases.

  2. The theoretical foundation involving Koopman operators may be complex for practitioners unfamiliar with the concept.

  3. The experiments are somewhat limited. Could additional datasets be included, or could comparative experiments be conducted on other models as well?

  4. The presentation of the experimental results is somewhat unclear. For example, all the experimental results in Section 4.2 are only summarized in Table 2, with no accompanying figures. Could Table 3 offer a more detailed explanation?

问题

  1. In equation (9), could you provide an analysis of the computational complexity of solving the optimization problem w.r.t ACn×nA\in \mathbb{C}^{n\times n}? Furthermore, are there any potential challenges in its implementation?

  2. In equation (13), the computation of gg^\dagger involves solving a system of linear equations gg(x)=xg^\dagger g(x) = x. How does the computation affect the overall complexity of Algorithm 1?

  3. In Section 4.1, why is the Global curve missing in Figure 3? Could you discuss any implications this might have for the comparison between methods?

  4. How does the proposed approach compare with specific state-of-the-art hyperparameter optimization methods, such as Bayesian optimization or evolutionary algorithms, in terms of performance metrics like accuracy or convergence speed, as well as computational overhead?

There are some typos:

  1. In equation (1), the meta-level function is expressed as l~(θ(Φ);D~)\tilde{l}(\theta^*(\Phi);\tilde{D}). However, the meta objective in line 37 is written as l~(θ,Φ;D~)\tilde{l}(\theta,\Phi;\tilde{D})

  2. In equation (9), the expression t=0t1\sum\limits_{t=0}^{t-1} has a conflict because the variable tt is used both as the index and the limit of summation.

  3. In line 266, "requires time O(τp)O(\tau p) and space O(p)O(p) complexities" should be "requires time complexity of O(τp)O(\tau p) and space complexity of O(p)O(p)".

  4. The sentence in line 325 seems to be awkwardly structured.

评论

Thank you for the helpful review. Below is our rebuttal to your questions and concerns.


W1: As the reviewer pointed out, this assumption does not always hold. However, it is generally used in many practical data-driven dynamical systems in various domains, and we followed it.

  • W2: We believe the concept is simple: the core idea is to use the least square (Eq 9) to estimate a matrix that forwards the linearized dynamics of hypergradient. Practitioners can use tools to implement DMD, such as pyDMD.
  • W3: Thank you for suggesting other experiments. We will add a new dataset. For models, we believe that LeNet and ResNet are sufficient to demonstrate the effectiveness of the proposed method on the datasets we used.
  • W4: It would be appreciated if you elaborated more on what makes tables 2 and 3 unclear.

  • Q1: We analyzed the complexities of DMD in Section 3.1 (around L298).
  • Q2: If we augment the observation function as (x,g(x))(x, \mathbf{g}(x)), then its left inverse is simply taking the first dimx\dim x elements, whose computational cost is negligibly small. Hankel DMD holds this property.
  • Q3: The global method takes much longer computation than others, as explained in Table 3. Thus, we omit the results on non-MNIST datasets, as explained in L358.
  • Q4: It is difficult to compare the gradient-based HPO methods with black-box ones directly. In terms of complexities, gradient-based ones are much more efficient because they can additionally use gradient information.
评论

We additionally conducted experiments of optimization of the optimizer's hyperparameters on the SVHN dataset (Section 4.1). The proposed method shows slightly better results than the local baseline.

评论

Thanks for your patient response. After carefully considering your answer, we decide to raise the rating to 5 for your work.

评论

Thank you for your consideration.

审稿意见
5

This paper proposes a hypergradient descent method that uses local hypergradients to estimate the global hypergradient. The method is based on Koopman operator theory which uses a finite-dimensional linearization of the nonlinear dynamics of the hypergradient. Authors characterize the estimation error and provides detailed comparisons on the computational complexities of Glocal HGD, local HGD, and global HGD. Finally, they present experiments that show the practical efficacy of the method.

优点

The paper studies an important problem, since hyperparameter optimization is a common challenge in training neural nets. The paper's approach using Koopman operator theory is clever and connects hyperparameter optimization to nonlinear dynamical systems. The algorithm and the computational complexities are clearly written, and I appreciate the diagnostic plots in the experimental section.

缺点

  1. Important design choices are not given: (1) how should we select the dimension of the Koopman operator nn? Intuitively, nn should depend on properties of the underlying dynamical system, and it would be helpful to have some guidelines. (2) how should we select g**g**? Authors use Hankel DMD in the experiments, and it would be great to provide some justification.

  2. Experiments: (1) the experiments are relatively small scale. Authors mention that global hypergradients are difficult to obtain for larger models, but still it would be good to compare Glocal to other baselines, for example the best tuned SGD. Without larger scale experiments, it is difficult to know how the proposed method scales with model size. (2) it would be useful to compare Glocal with the best tuned SGD/Adam as a baseline (3) it would be great to verify empirically that Glocal can indeed estimate the global hypergradient. If I understand correctly, one can compare the estimated gradient with the true global hypergradient.

  3. Theoretical analysis: Theorem 3.1 assumes a Koopman operator of dimension nn exists. Without specifications on nn, this result is less meaningful as nn can be very large. However, a large nn can make the Glocal method impractical. It would be helpful to provide justification and guidance on nn.

  4. Section 2.3 is not clear: (1) Line 172, what is the relationship between ϕ\phi and φ\varphi? The decomposition of gg is written in ϕ\phi on line 172 but in φ\varphi in eq. (7). (2) Eq. (8) is not precise, because large λ\lambda's will diverge, but the arrow notation usually means convergence. (3) The notation for the set of measurement functions g**g** and the individual functions gig_i is confusing because they can be very different from the original function gg and yet use the same letter.

问题

  1. Can the proposed method handle changing dynamics, given that the training dynamics change over time (initially the loss drops significantly and then less so)?
  2. For experiments, how do the results change over different initial learning rates? Can Glocal HGD always converge to a good learning rate no matter what the initial learning rate is?
  3. Why does Glocal outperform global HGD towards the end of training?

Also see Weaknesses above.

评论

Thank you for the insightful comments. Below, we answer your questions and concerns.


  • W1: How to set the dimension of an approximated Koopman operator nn and the dictionary g\mathbf{g} is problem dependent. In our experiments, we adopt Hankel DMD stacking 10 time-delayed vectors so that n=10qn=10q, where qq is the number of hyperparameters. 
  • W2: Thank you for suggesting experiments. Since the proposed method is an online approach, it is hard to outperform or even match the performance of the best-tuned ones obtained through countless trials and errors by researchers for decades. In the updated manuscript, we added another baseline (Fig C6) to demonstrate that the proposed method shows better approximation than a truncated variant of the global baseline.
  • W3: nn can be specified as written above.
  • W4: Thank you for carefully reading our manuscript. ϕ\phi is a typo of ψ\psi, and we fixed it. We updated the description of Eq8. The connection between g\mathbf{g} and gg is explained around L186. 

  • Q1: The training dynamics can be written as θt+1=Ω(θt)\theta_{t+1}=\Omega(\theta_t), where θt\theta_t is model parameters and Ω\Omega is the optimizer, so in theory it is possible to handle the dynamics. In practice, on the other hand, it would be challenging to accurately predict the dynamics after a significant loss drop only by using trajectory before the event without enough prior knowledge of the dynamics. However, the predicted states from dynamics before loss drop could help us to determine if the initial hyperparameters would lead to divergence of training dynamics or not.
  • Q2: Figure C3 shows the results when the initial learning rate is 0.1. 
  • Q3: Global HGD suffers from numerical instability, which appears after around 100 iterations.
AC 元评审

This paper proposes a novel method called glocal hypergradient estimation for hyperparameter optimization. It uses Koopman operator theory to approximate global hypergradients from the trajectory of local hypergradients, enabling efficient and effective hyperparameter updates.

The reviewers generally agreed that the paper was well-written and presented a novel approach to an important problem. They also found the theoretical contributions to be sound and the experimental results to be promising. However, there were some concerns about the clarity of the presentation and the limited scope of the experiments.

Overall, there was consensus among the reviewers that the empirical results are not quite compelling enough to justify publication yet.

审稿人讨论附加意见

Reviewers raised concerns about parameter choices, experimental scale, theoretical assumptions, and result clarity. The authors clarified their methods, added experiments, and improved the manuscript.

最终决定

Reject