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Kernel ridge regression (KRR) is a fundamental computational tool, appearing in problems that range from computational chemistry to health analytics, with a particular interest due to its starring role in Gaussian process regression. However, it is challenging to scale KRR solvers to large datasets: with $n$ training points, a direct solver (i.e., Cholesky decomposition) uses $O(n^2)$ storage and $O(n^3)$ flops. Iterative methods for KRR, such as preconditioned conjugate gradient (PCG), avoid the cubic scaling of direct solvers and often use low-rank preconditioners; a rank $r$ preconditioner uses $O(rn)$ storage and each iteration requires $O(n^2)$ flops. To reduce the storage and iteration complexity of iterative solvers for KRR, we propose ASkotch ($\textbf{A}$ccelerated $\textbf{s}$calable $\textbf{k}$ernel $\textbf{o}$p$\textbf{t}$imization using block $\textbf{c}$oordinate descent with $\textbf{H}$essian preconditioning). For a given block size $|b| << n$, each iteration of ASkotch uses $O(r|b| + n)$ storage and $O(n|b|)$ flops, so ASkotch scales better than Cholesky decomposition and PCG. We prove that ASkotch obtains linear convergence to the optimum, with the convergence rate depending on the square roots of the $\textit{preconditioned}$ block condition numbers. Furthermore, we solve KRR problems that were considered to be impossibly large while using limited computational resources: we show that ASkotch outperforms PCG methods with respect to generalization error on large-scale KRR (up to $n = 10^8$) and KRR classification tasks (up to $n = 10^7$) while running each of our experiments on $\textit{a single 12 GB Titan V GPU}$. Our work opens up the possibility of as-yet-unimagined applications of KRR across a wide range of disciplines., Comment: 40 pages (including appendices), 14 figures, 3 tables

This paper explores challenges in training Physics-Informed Neural Networks (PINNs), emphasizing the role of the loss landscape in the training process. We examine difficulties in minimizing the PINN loss function, particularly due to ill-conditioning caused by differential operators in the residual term. We compare gradient-based optimizers Adam, L-BFGS, and their combination Adam+L-BFGS, showing the superiority of Adam+L-BFGS, and introduce a novel second-order optimizer, NysNewton-CG (NNCG), which significantly improves PINN performance. Theoretically, our work elucidates the connection between ill-conditioned differential operators and ill-conditioning in the PINN loss and shows the benefits of combining first- and second-order optimization methods. Our work presents valuable insights and more powerful optimization strategies for training PINNs, which could improve the utility of PINNs for solving difficult partial differential equations., Comment: ICML 2024 Oral; 33 pages (including appendices), 10 figures, 3 tables

This paper introduces PROMISE ($\textbf{Pr}$econditioned Stochastic $\textbf{O}$ptimization $\textbf{M}$ethods by $\textbf{I}$ncorporating $\textbf{S}$calable Curvature $\textbf{E}$stimates), a suite of sketching-based preconditioned stochastic gradient algorithms for solving large-scale convex optimization problems arising in machine learning. PROMISE includes preconditioned versions of SVRG, SAGA, and Katyusha; each algorithm comes with a strong theoretical analysis and effective default hyperparameter values. In contrast, traditional stochastic gradient methods require careful hyperparameter tuning to succeed, and degrade in the presence of ill-conditioning, a ubiquitous phenomenon in machine learning. Empirically, we verify the superiority of the proposed algorithms by showing that, using default hyperparameter values, they outperform or match popular tuned stochastic gradient optimizers on a test bed of $51$ ridge and logistic regression problems assembled from benchmark machine learning repositories. On the theoretical side, this paper introduces the notion of quadratic regularity in order to establish linear convergence of all proposed methods even when the preconditioner is updated infrequently. The speed of linear convergence is determined by the quadratic regularity ratio, which often provides a tighter bound on the convergence rate compared to the condition number, both in theory and in practice, and explains the fast global linear convergence of the proposed methods., Comment: 52 pages, 9 Figures

SketchySGD improves upon existing stochastic gradient methods in machine learning by using randomized low-rank approximations to the subsampled Hessian and by introducing an automated stepsize that works well across a wide range of convex machine learning problems. We show theoretically that SketchySGD with a fixed stepsize converges linearly to a small ball around the optimum. Further, in the ill-conditioned setting we show SketchySGD converges at a faster rate than SGD for least-squares problems. We validate this improvement empirically with ridge regression experiments on real data. Numerical experiments on both ridge and logistic regression problems with dense and sparse data, show that SketchySGD equipped with its default hyperparameters can achieve comparable or better results than popular stochastic gradient methods, even when they have been tuned to yield their best performance. In particular, SketchySGD is able to solve an ill-conditioned logistic regression problem with a data matrix that takes more than $840$GB RAM to store, while its competitors, even when tuned, are unable to make any progress. SketchySGD's ability to work out-of-the box with its default hyperparameters and excel on ill-conditioned problems is an advantage over other stochastic gradient methods, most of which require careful hyperparameter tuning (especially of the learning rate) to obtain good performance and degrade in the presence of ill-conditioning., Comment: 65 pages, 43 figures, 8 tables

We call an odd positive integer $n$ a $\textit{Descartes number}$ if there exist positive integers $k,m$ such that $n = km$ and \begin{equation} \sigma(k)(m+1) = 2km \end{equation} Currently, $\mathcal{D} = 3^{2}7^{2}11^{2}13^{2}22021$ is the only known Descartes number. In $2008$, Banks et al. proved that $\mathcal{D}$ is the only cube-free Descartes number with fewer than seven distinct prime factors. In the present paper, we extend the methods of Banks et al. to show that there is no cube-free Descartes number with seven distinct prime factors., Comment: 8 pages