Constrained optimization offers a powerful framework to prescribe desired behaviors in neural network models. Typically, constrained problems are solved via their min-max Lagrangian formulations, which exhibit unstable oscillatory dynamics when optimized using gradient descent-ascent. The adoption of constrained optimization techniques in the machine learning community is currently limited by the lack of reliable, general-purpose update schemes for the Lagrange multipliers. This paper proposes the $\nu$PI algorithm and contributes an optimization perspective on Lagrange multiplier updates based on PI controllers, extending the work of Stooke, Achiam and Abbeel (2020). We provide theoretical and empirical insights explaining the inability of momentum methods to address the shortcomings of gradient descent-ascent, and contrast this with the empirical success of our proposed $\nu$PI controller. Moreover, we prove that $\nu$PI generalizes popular momentum methods for single-objective minimization. Our experiments demonstrate that $\nu$PI reliably stabilizes the multiplier dynamics and its hyperparameters enjoy robust and predictable behavior.

We demonstrate a substantial gap between the privacy guarantees of the Adaptive Batch Linear Queries (ABLQ) mechanism under different types of batch sampling: (i) Shuffling, and (ii) Poisson subsampling; the typical analysis of Differentially Private Stochastic Gradient Descent (DP-SGD) follows by interpreting it as a post-processing of ABLQ. While shuffling-based DP-SGD is more commonly used in practical implementations, it has not been amenable to easy privacy analysis, either analytically or even numerically. On the other hand, Poisson subsampling-based DP-SGD is challenging to scalably implement, but has a well-understood privacy analysis, with multiple open-source numerically tight privacy accountants available. This has led to a common practice of using shuffling-based DP-SGD in practice, but using the privacy analysis for the corresponding Poisson subsampling version. Our result shows that there can be a substantial gap between the privacy analysis when using the two types of batch sampling, and thus advises caution in reporting privacy parameters for DP-SGD.

Stochastic gradient descent with momentum, also known as Stochastic Heavy Ball method (SHB), is one of the most popular algorithms for solving large-scale stochastic optimization problems in various machine learning tasks. In practical scenarios, tuning the step-size and momentum parameters of the method is a prohibitively expensive and time-consuming process. In this work, inspired by the recent advantages of stochastic Polyak step-size in the performance of stochastic gradient descent (SGD), we propose and explore new Polyak-type variants suitable for the update rule of the SHB method. In particular, using the Iterate Moving Average (IMA) viewpoint of SHB, we propose and analyze three novel step-size selections: MomSPS$_{\max}$, MomDecSPS, and MomAdaSPS. For MomSPS$_{\max}$, we provide convergence guarantees for SHB to a neighborhood of the solution for convex and smooth problems (without assuming interpolation). If interpolation is also satisfied, then using MomSPS$_{\max}$, SHB converges to the true solution at a fast rate matching the deterministic HB. The other two variants, MomDecSPS and MomAdaSPS, are the first adaptive step-sizes for SHB that guarantee convergence to the exact minimizer without prior knowledge of the problem parameters and without assuming interpolation. The convergence analysis of SHB is tight and obtains the convergence guarantees of SGD with stochastic Polyak step-sizes as a special case. We supplement our analysis with experiments that validate the theory and demonstrate the effectiveness and robustness of the new algorithms.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to $72\times$ when solving to tolerance, and decrease the average residual norm by up to $7\times$ when stopping early.

Adaptive gradient methods are arguably the most successful optimization algorithms for neural network training. While it is well-known that adaptive gradient methods can achieve better dimensional dependence than stochastic gradient descent (SGD) under favorable geometry for stochastic convex optimization, the theoretical justification for their success in stochastic non-convex optimization remains elusive. In this paper, we aim to close this gap by analyzing the convergence rates of AdaGrad measured by the $\ell_1$-norm of the gradient. Specifically, when the objective has $L$-Lipschitz gradient and the stochastic gradient variance is bounded by $\sigma^2$, we prove a worst-case convergence rate of $\tilde{\mathcal{O}}(\frac{\sqrt{d}L}{\sqrt{T}} + \frac{\sqrt{d} \sigma}{T^{1/4}})$, where $d$ is the dimension of the problem.We also present a lower bound of ${\Omega}(\frac{\sqrt{d}}{\sqrt{T}})$ for minimizing the gradient $\ell_1$-norm in the deterministic setting, showing the tightness of our upper bound in the noiseless case. Moreover, under more fine-grained assumptions on the smoothness structure of the objective and the gradient noise and under favorable gradient $\ell_1/\ell_2$ geometry, we show that AdaGrad can potentially shave a factor of $\sqrt{d}$ compared to SGD. To the best of our knowledge, this is the first result for adaptive gradient methods that demonstrates a provable gain over SGD in the non-convex setting.

A fundamental problem in machine learning is understanding the effect of early stopping on the parameters obtained and the generalization capabilities of the model. Even for linear models, the effect is not fully understood for arbitrary learning rates and data. In this paper, we analyze the dynamics of discrete full batch gradient descent for linear regression. With minimal assumptions, we characterize the trajectory of the parameters and the expected excess risk. Using this characterization, we show that when training with a learning rate schedule $\eta_k$, and a finite time horizon $T$, the early stopped solution $\beta_T$ is equivalent to the minimum norm solution for a generalized ridge regularized problem. We also prove that early stopping is beneficial for generic data with arbitrary spectrum and for a wide variety of learning rate schedules. We provide an estimate for the optimal stopping time and empirically demonstrate the accuracy of our estimate.

This paper addresses the complex issue of resource-constrained scheduling, an NP-hard problem that spans critical areas including chip design and high-performance computing. Traditional scheduling methods often stumble over scalability and applicability challenges. We propose a novel approach using a differentiable combinatorial scheduling framework, utilizing Gumbel-Softmax differentiable sampling technique. This new technical allows for a fully differentiable formulation of linear programming (LP) based scheduling, extending its application to a broader range of LP formulations. To encode inequality constraints for scheduling tasks, we introduce \textit{constrained Gumbel Trick}, which adeptly encodes arbitrary inequality constraints. Consequently, our method facilitates an efficient and scalable scheduling via gradient descent without the need for training data. Comparative evaluations on both synthetic and real-world benchmarks highlight our capability to significantly improve the optimization efficiency of scheduling, surpassing state-of-the-art solutions offered by commercial and open-source solvers such as CPLEX, Gurobi, and CP-SAT in the majority of the designs.

We study the discrete dynamics of mini-batch gradient descent for least squares regression when sampling without replacement. We show that the dynamics and generalization error of mini-batch gradient descent depends on a sample cross-covariance matrix $Z$ between the original features $X$ and a set of new features $\widetilde{X}$, in which each feature is modified by the mini-batches that appear before it during the learning process in an averaged way. Using this representation, we rigorously establish that the dynamics of mini-batch and full-batch gradient descent agree up to leading order with respect to the step size using the linear scaling rule. We also study discretization effects that a continuous-time gradient flow analysis cannot detect, and show that mini-batch gradient descent converges to a step-size dependent solution, in contrast with full-batch gradient descent. Finally, we investigate the effects of batching, assuming a random matrix model, by using tools from free probability theory to numerically compute the spectrum of $Z$.

We study the impact of the batch size $n_b$ on the iteration time $T$ of training two-layer neural networks with one-pass stochastic gradient descent (SGD) on multi-index target functions of isotropic covariates. We characterize the optimal batch size minimizing the iteration time as a function of the hardness of the target, as characterized by the information exponents. We show that performing gradient updates with large batches $n_b \lesssim d^{\frac{\ell}{2}}$ minimizes the training time without changing the total sample complexity, where $\ell$ is the information exponent of the target to be learned \citep{arous2021online} and $d$ is the input dimension. However, larger batch sizes than $n_b \gg d^{\frac{\ell}{2}}$ are detrimental for improving the time complexity of SGD. We provably overcome this fundamental limitation via a different training protocol, \textit{Correlation loss SGD}, which suppresses the auto-correlation terms in the loss function. We show that one can track the training progress by a system of low-dimensional ordinary differential equations (ODEs). Finally, we validate our theoretical results with numerical experiments.

We study the contextual dynamic pricing problem where a firm sells products to $T$ sequentially arriving consumers that behave according to an unknown demand model. The firm aims to maximize its revenue, i.e. minimize its regret over a clairvoyant that knows the model in advance. The demand model is a generalized linear model (GLM), allowing for a stochastic feature vector in $\mathbb R^d$ that encodes product and consumer information. We first show that the optimal regret upper bound is of order $\sqrt{dT}$, up to a logarithmic factor, improving upon existing upper bounds in the literature by a $\sqrt{d}$ factor. This sharper rate is materialised by two algorithms: a confidence bound-type (supCB) algorithm and an explore-then-commit (ETC) algorithm. A key insight of our theoretical result is an intrinsic connection between dynamic pricing and the contextual multi-armed bandit problem with many arms based on a careful discretization. We further study contextual dynamic pricing under the local differential privacy (LDP) constraints. In particular, we propose a stochastic gradient descent based ETC algorithm that achieves an optimal regret upper bound of order $d\sqrt{T}/\epsilon$, up to a logarithmic factor, where $\epsilon>0$ is the privacy parameter. The regret upper bounds with and without LDP constraints are accompanied by newly constructed minimax lower bounds, which further characterize the cost of privacy. Extensive numerical experiments and a real data application on online lending are conducted to illustrate the efficiency and practical value of the proposed algorithms in dynamic pricing.