深度学习 · optimization

Bilevel optimization has recently regained interest owing to its applications in emerging machine learning fields such as hyperparameter optimization, meta-learning, and reinforcement learning. Recent results have shown that simple alternating (implicit) gradient-based algorithms can match the convergence rate of single-level gradient descent (GD) when addressing bilevel problems with a strongly convex lower-level objective. However, it remains unclear whether this result can be generalized to bilevel problems beyond this basic setting. In this paper, we first introduce a stationary metric for the considered bilevel problems, which generalizes the existing metric, for a nonconvex lower-level objective that satisfies the Polyak-Łojasiewicz (PL) condition. We then propose a Generalized ALternating mEthod for bilevel opTimization (GALET) tailored to BLO with convex PL LL problem and establish that GALET achieves an $\epsilon$-stationary point for the considered problem within $\tilde{\cal O}(\epsilon^{-1})$ iterations, which matches the iteration complexity of GD for single-level smooth nonconvex problems.

In this paper, we provide a rigorous proof of convergence of the Adaptive Moment Estimate (Adam) algorithm for a wide class of optimization objectives. Despite the popularity and efficiency of the Adam algorithm in training deep neural networks, its theoretical properties are not yet fully understood, and existing convergence proofs require unrealistically strong assumptions, such as globally bounded gradients, to show the convergence to stationary points. In this paper, we show that Adam provably converges to $\epsilon$-stationary points with $\mathcal{O}(\epsilon^{-4})$ gradient complexity under far more realistic conditions. The key to our analysis is a new proof of boundedness of gradients along the optimization trajectory of Adam, under a generalized smoothness assumption according to which the local smoothness (i.e., Hessian norm when it exists) is bounded by a sub-quadratic function of the gradient norm. Moreover, we propose a variance-reduced version of Adam with an accelerated gradient complexity of $\mathcal{O}(\epsilon^{-3})$.

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders leads to effective and efficient Bayesian optimization for structured or discrete data. However, as the optimization does not take place in the input space, it leads to an inherent gap that results in potentially suboptimal solutions. To alleviate the discrepancy, we propose Correlated latent space Bayesian Optimization (CoBO), which focuses on learning correlated latent spaces characterized by a strong correlation between the distances in the latent space and the distances within the objective function. Specifically, our method introduces Lipschitz regularization, loss weighting, and trust region recoordination to minimize the inherent gap around the promising areas. We demonstrate the effectiveness of our approach on several optimization tasks in discrete data, such as molecule design and arithmetic expression fitting, and achieve high performance within a small budget.

Recent years have seen a growing interest in accelerating optimization algorithms with machine-learned predictions. Sakaue and Oki (NeurIPS 2022) have developed a general framework that warm-starts the *L-convex function minimization* method with predictions, revealing the idea's usefulness for various discrete optimization problems. In this paper, we present a framework for using predictions to accelerate *M-convex function minimization*, thus complementing previous research and extending the range of discrete optimization algorithms that can benefit from predictions. Our framework is particularly effective for an important subclass called *laminar convex minimization*, which appears in many operations research applications. Our methods can improve time complexity bounds upon the best worst-case results by using predictions and even have potential to go beyond a lower-bound result.

Weight decay is a standard technique to improve generalization performance in modern deep neural network optimization, and is also widely adopted in federated learning (FL) to prevent overfitting in local clients. In this paper, we first explore the choices of weight decay and identify that weight decay value appreciably influences the convergence of existing FL algorithms. While preventing overfitting is crucial, weight decay can introduce a different optimization goal towards the global objective, which is further amplified in FL due to multiple local updates and heterogeneous data distribution. To address this challenge, we develop {\it Federated optimization with Normalized Annealing Regularization} (FedNAR), a simple yet effective and versatile algorithmic plug-in that can be seamlessly integrated into any existing FL algorithms. Essentially, we regulate the magnitude of each update by performing co-clipping of the gradient and weight decay. We provide a comprehensive theoretical analysis of FedNAR's convergence rate and conduct extensive experiments on both vision and language datasets with different backbone federated optimization algorithms. Our experimental results consistently demonstrate that incorporating FedNAR into existing FL algorithms leads to accelerated convergence and heightened model accuracy. Moreover, FedNAR exhibits resilience in the face of various hyperparameter configurations. Specifically, FedNAR has the ability to self-adjust the weight decay when the initial specification is not optimal, while the accuracy of traditional FL algorithms would markedly decline. Our codes are released at \href{https://anonymous.4open.science/r/fednar-BE8F}{https://anonymous.4open.science/r/fednar-BE8F}.

In this paper, we propose a novel extra-gradient difference acceleration algorithm for solving constrained nonconvex-nonconcave (NC-NC) minimax problems. In particular, we design a new extra-gradient difference step to obtain an important quasi-cocoercivity property, which plays a key role to significantly improve the convergence rate in the constrained NC-NC setting without additional structural assumption. Then momentum acceleration is also introduced into our dual accelerating update step. Moreover, we prove that, to find an $\epsilon$-stationary point of the function $f$, our algorithm attains the complexity $\mathcal{O}(\epsilon^{-2})$ in the constrained NC-NC setting, while the best-known complexity bound is $\widetilde{\mathcal{O}}(\epsilon^{-4})$, where $\widetilde{\mathcal{O}}(\cdot)$ hides logarithmic factors compared to $\mathcal{O}(\cdot)$. As the special cases of the constrained NC-NC setting, our algorithm can also obtain the same complexity $\mathcal{O}(\epsilon^{-2})$ for both the nonconvex-concave (NC-C) and convex-nonconcave (C-NC) cases, while the best-known complexity bounds are $\widetilde{\mathcal{O}}(\epsilon^{-2.5})$ for the NC-C case and $\widetilde{\mathcal{O}}(\epsilon^{-4})$ for the C-NC case. For fair comparison with existing algorithms, we also analyze the complexity bound to find $\epsilon$-stationary point of the primal function $\phi$ for the constrained NC-C problem, which shows that our algorithm can improve the complexity bound from $\widetilde{\mathcal{O}}(\epsilon^{-3})$ to $\mathcal{O}(\epsilon^{-2})$. To the best of our knowledge, this is the first time that the proposed algorithm improves the best-known complexity bounds from $\mathcal{O}(\epsilon^{-4})$ and $\widetilde{\mathcal{O}}(\epsilon^{-3})$ to $\mathcal{O}(\epsilon^{-2})$ in both the NC-NC and NC-C settings.

First-order optimization methods tend to inherently favor certain solutions over others when minimizing a given training objective with multiple local optima. This phenomenon, known as \emph{implicit bias}, plays a critical role in understanding the generalization capabilities of optimization algorithms. Recent research has revealed that gradient-descent-based methods exhibit an implicit bias for the $\ell_2$-maximal margin classifier in the context of separable binary classification. In contrast, generic optimization methods, such as mirror descent and steepest descent, have been shown to converge to maximal margin classifiers defined by alternative geometries. However, while gradient-descent-based algorithms demonstrate fast implicit bias rates, the implicit bias rates of generic optimization methods have been relatively slow. To address this limitation, in this paper, we present a series of state-of-the-art implicit bias rates for mirror descent and steepest descent algorithms. Our primary technique involves transforming a generic optimization algorithm into an online learning dynamic that solves a regularized bilinear game, providing a unified framework for analyzing the implicit bias of various optimization methods. The accelerated rates are derived leveraging the regret bounds of online learning algorithms within this game framework.

In this paper, we propose an accelerated quasi-Newton proximal extragradient method for solving unconstrained smooth convex optimization problems. With access only to the gradients of the objective, we prove that our method can achieve a convergence rate of $\mathcal{O}\bigl(\min\\{\frac{1}{k^2}, \frac{\sqrt{d\log k}}{k^{2.5}}\\}\bigr)$, where $d$ is the problem dimension and $k$ is the number of iterations. In particular, in the regime where $k = \mathcal{O}(d)$, our method matches the _optimal rate_ of $\mathcal{O}(\frac{1}{k^2})$ by Nesterov's accelerated gradient (NAG). Moreover, in the the regime where $k = \Omega(d \log d)$, it outperforms NAG and converges at a _faster rate_ of $\mathcal{O}\bigl(\frac{\sqrt{d\log k}}{k^{2.5}}\bigr)$. To the best of our knowledge, this result is the first to demonstrate a provable gain for a quasi-Newton-type method over NAG in the convex setting. To achieve such results, we build our method on a recent variant of the Monteiro-Svaiter acceleration framework and adopt an online learning perspective to update the Hessian approximation matrices, in which we relate the convergence rate of our method to the dynamic regret of a specific online convex optimization problem in the space of matrices.

In this paper, we consider non-smooth stochastic convex optimization with two function evaluations per round under infinite noise variance. In the classical setting when noise has finite variance, an optimal algorithm, built upon the batched accelerated gradient method, was proposed in (Gasnikov et. al., 2022). This optimality is defined in terms of iteration and oracle complexity, as well as the maximal admissible level of adversarial noise. However, the assumption of finite variance is burdensome and it might not hold in many practical scenarios. To address this, we demonstrate how to adapt a refined clipped version of the accelerated gradient (Stochastic Similar Triangles) method from (Sadiev et al., 2023) for a two-point zero-order oracle. This adaptation entails extending the batching technique to accommodate infinite variance — a non-trivial task that stands as a distinct contribution of this paper.

In this paper, we consider how to construct best-of-both-worlds linear bandit algorithms that achieve nearly optimal performance for both stochastic and adversarial environments. For this purpose, we show that a natural approach referred to as exploration by optimization [Lattimore and Szepesvári, 2020] works well. Specifically, an algorithm constructed using this approach achieves $O(d \sqrt{ T \log{T}})$-regret in adversarial environments and $O(\frac{d^2 \log T}{\Delta_{\min}} )$-regret in stochastic environments. Symbols $d$, $T$ and $\Delta_{\min}$ here represent the dimensionality of the action set, the time horizon, and the minimum sub-optimality gap, respectively. We also show that this algorithm has even better theoretical guarantees for important special cases including the multi-armed bandit problem and multitask bandits.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam-search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on three popular NP-hard problems: traveling salesman, capacitated vehicle routing, and job-shop scheduling.

Hyperparameters of Deep Learning (DL) pipelines are crucial for their downstream performance. While a large number of methods for Hyperparameter Optimization (HPO) have been developed, their incurred costs are often untenable for modern DL. Consequently, manual experimentation is still the most prevalent approach to optimize hyperparameters, relying on the researcher's intuition, domain knowledge, and cheap preliminary explorations. To resolve this misalignment between HPO algorithms and DL researchers, we propose PriorBand, an HPO algorithm tailored to DL, able to utilize both expert beliefs and cheap proxy tasks. Empirically, we demonstrate PriorBand's efficiency across a range of DL benchmarks and show its gains under informative expert input and robustness against poor expert beliefs.

We introduce a technique for tuning the learning rate scale factor of any base optimization algorithm and schedule automatically, which we call Mechanic. Our method provides a practical realization of recent theoretical reductions for accomplishing a similar goal in online convex optimization. We rigorously evaluate Mechanic on a range of large scale deep learning tasks with varying batch sizes, schedules, and base optimization algorithms. These experiments demonstrate that depending on the problem, Mechanic either comes very close to, matches or even improves upon manual tuning of learning rates.

We introduce a probability distribution, combined with an efficient sampling algorithm, for weights and biases of fully-connected neural networks. In a supervised learning context, no iterative optimization or gradient computations of internal network parameters are needed to obtain a trained network. The sampling is based on the idea of random feature models. However, instead of a data-agnostic distribution, e.g., a normal distribution, we use both the input and the output training data to sample shallow and deep networks. We prove that sampled networks are universal approximators. For Barron functions, we show that the $L^2$-approximation error of sampled shallow networks decreases with the square root of the number of neurons. Our sampling scheme is invariant to rigid body transformations and scaling of the input data, which implies many popular pre-processing techniques are not required. In numerical experiments, we demonstrate that sampled networks achieve accuracy comparable to iteratively trained ones, but can be constructed orders of magnitude faster. Our test cases involve a classification benchmark from OpenML, sampling of neural operators to represent maps in function spaces, and transfer learning using well-known architectures.

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots, DNA sequences, and proteins. A common approach trains a proxy on the static dataset and performs gradient ascent to obtain new designs. However, this often results in poor designs due to the proxy inaccuracies for out-of-distribution designs. Recent studies indicate that (a) gradient ascent with a mean ensemble of proxies generally outperforms simple gradient ascent, and (b) a trained proxy provides weak ranking supervision signals for design selection. Motivated by (a) and (b), we propose $\textit{parallel-mentoring}$ as an effective and novel method that facilitates mentoring among proxies, creating a more robust ensemble to mitigate the out-of-distribution issue. We focus on the three-proxy case in the main paper and our method consists of two modules. The first module, $\textit{voting-based pairwise supervision}$, operates on three parallel proxies and captures their ranking supervision signals as pairwise comparison labels. These labels are combined through majority voting to generate consensus labels, which incorporates ranking supervision signals from all proxies and enables mutual mentoring. Yet, label noise arises due to possible incorrect consensus. To alleviate this, we introduce an $\textit{adaptive soft-labeling}$ module with soft-labels initialized as consensus labels. Based on bi-level optimization, this module fine-tunes proxies in the inner level and learns more accurate labels in the outer level to adaptively mentor proxies, resulting in a more robust ensemble. Experiments validate the effectiveness of our method. Our code is available here.

Federated learning has attracted increasing attention due to the promise of balancing privacy and large-scale learning; numerous approaches have been proposed. However, most existing approaches focus on problems with balanced data, and prediction performance is far from satisfactory for many real-world applications where the number of samples in different classes is highly imbalanced. To address this challenging problem, we developed a novel federated learning method for imbalanced data by directly optimizing the area under curve (AUC) score. In particular, we formulate the AUC maximization problem as a federated compositional minimax optimization problem, develop a local stochastic compositional gradient descent ascent with momentum algorithm, and provide bounds on the computational and communication complexities of our algorithm. To the best of our knowledge, this is the first work to achieve such favorable theoretical results. Finally, extensive experimental results confirm the efficacy of our method.

Contemporary advances in the field of deep learning have embarked upon an exploration of the underlying geometric properties of data, thus encouraging the investigation of techniques that consider general manifolds, for example, hyperbolic or orthogonal neural networks. However, the optimization algorithms for training such geometric deep learning models still remain highly under-explored. In this paper, we introduce Riemannian SAM by generalizing conventional Euclidean SAM to Riemannian manifolds. We successfully formulate the sharpness-aware minimization on Riemannian manifolds, leading to one of a novel instantiation, Lorentz SAM. In addition, SAM variants proposed in previous studies such as Fisher SAM can be derived as special examples under our Riemannian SAM framework. We provide the convergence analysis of Riemannian SAM under a less aggressively decaying ascent learning rate than Euclidean SAM. Our analysis serves as a theoretically sound contribution encompassing a diverse range of manifolds, also providing the guarantees for SAM variants such as Fisher SAM, whose convergence analyses are absent. Lastly, we illustrate the superiority of Riemannian SAM in terms of generalization over previous Riemannian optimization algorithms through experiments on knowledge graph completion and machine translation tasks.

This paper presents new projection-free algorithms for Online Convex Optimization (OCO) over a convex domain $\mathcal{K} \subset \mathbb{R}^d$. Classical OCO algorithms (such as Online Gradient Descent) typically need to perform Euclidean projections onto the convex set $\mathcal{K}$ to ensure feasibility of their iterates. Alternative algorithms, such as those based on the Frank-Wolfe method, swap potentially-expensive Euclidean projections onto $\mathcal{K}$ for linear optimization over $\mathcal{K}$. However, such algorithms have a sub-optimal regret in OCO compared to projection-based algorithms. In this paper, we look at a third type of algorithms that output approximate Newton iterates using a self-concordant barrier for the set of interest. The use of a self-concordant barrier automatically ensures feasibility without the need of projections. However, the computation of the Newton iterates requires a matrix inverse, which can still be expensive. As our main contribution, we show how the stability of the Newton iterates can be leveraged to only compute the inverse Hessian a vanishing fractions of the rounds, leading to a new efficient projection-free OCO algorithm with a state-of-the-art regret bound.

Low-rank matrix factorization (LRMF) is a canonical problem in non-convex optimization, the objective function to be minimized is non-convex and even non-smooth, which makes the global convergence guarantee of gradient-based algorithm quite challenging. Recent work made a breakthrough on proving that standard gradient descent converges to the $\varepsilon$-global minima after $O( \frac{d \kappa^2}{\tau^2} {\rm ln} \frac{d \sigma_d}{\tau} + \frac{d \kappa^2}{\tau^2} {\rm ln} \frac{\sigma_d}{\varepsilon})$ iterations from small initialization with a very small learning rate (both are related to the small constant $\tau$). While the dependence of the convergence on the \textit{condition number} $\kappa$ and \textit{small learning rate} makes it not practical especially for ill-conditioned LRMF problem. In this paper, we show that precondition helps in accelerating the convergence and prove that the scaled gradient descent (ScaledGD) and its variant, alternating scaled gradient descent (AltScaledGD) converge to an $\varepsilon$-global minima after $O( {\rm ln} \frac{d}{\delta} + {\rm ln} \frac{d}{\varepsilon})$ iterations from general random initialization. Meanwhile, for small initialization as in gradient descent, both ScaledGD and AltScaledGD converge to $\varepsilon$-global minima after only $O({\rm ln} \frac{d}{\varepsilon})$ iterations. Furthermore, we prove that as a proximity to the alternating minimization, AltScaledGD converges faster than ScaledGD, its global convergence does not rely on small learning rate and small initialization, which certificates the advantages of AltScaledGD in LRMF.

Deep neural network (DNN) inference based on secure 2-party computation (2PC) can offer cryptographically-secure privacy protection but suffers from orders of magnitude latency overhead due to enormous communication. Previous works heavily rely on a proxy metric of ReLU counts to approximate the communication overhead and focus on reducing the ReLUs to improve the communication efficiency. However, we observe these works achieve limited communication reduction for state-of-the-art (SOTA) 2PC protocols due to the ignorance of other linear and non-linear operations, which now contribute to the majority of communication. In this work, we present CoPriv, a framework that jointly optimizes the 2PC inference protocol and the DNN architecture. CoPriv features a new 2PC protocol for convolution based on Winograd transformation and develops DNN-aware optimization to significantly reduce the inference communication. CoPriv further develops a 2PC-aware network optimization algorithm that is compatible with the proposed protocol and simultaneously reduces the communication for all the linear and non-linear operations. We compare CoPriv with the SOTA 2PC protocol, CrypTFlow2, and demonstrate 2.1× communication reduction for both ResNet-18 and ResNet-32 on CIFAR-100. We also compare CoPriv with SOTA network optimization methods, including SNL, MetaPruning, etc. CoPriv achieves 9.98× and 3.88× online and total communication reduction with a higher accuracy compare to SNL, respectively. CoPriv also achieves 3.87× online communication reduction with more than 3% higher accuracy compared to MetaPruning.