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Zachary Frangella

Publications and source records attributed to Zachary Frangella.

15 recordsLinked to original sources

GPU-Enabled Large-Scale Optimization Using Randomized Linear Algebra

This paper introduces rlaopt, a PyTorch-based package for large-scale optimization and scientific computing using randomized numerical linear algebra (RandNLA). Despite substantial progress in RandNLA-based algorithms, few implementations combine GPU acceleration with a simple interface for specifying optimization problems. rlaopt addresses this gap by providing GPU-enabled solvers for positive-definite linear systems and convex empirical risk minimization with constraints and regularizers. These solvers use RandNLA to accelerate conjugate gradient (NystromPCG), operator splitting (NysADMM), and stochastic gradient methods (SAPPHIRE). Moreover, rlaopt includes a modeling language that lets users specify problems using natural mathematical syntax. rlaopt automatically checks compatibility with the selected solver and performs the required problem decomposition. The solvers also support differentiation through their iterations, enabling applications such as hyperparameter tuning. Experiments on ridge regression, bounded multinomial logistic regression, and bounded elastic net identify when randomized preconditioning improves performance and demonstrate substantial speedups from GPU execution. The package is open-source under an Apache license, with source code at https://github.com/udellgroup/rlaopt and version 0.1.0 available on PyPI.

cs.LG

Robust, randomized preconditioning for kernel ridge regression

We investigate preconditioned conjugate gradient methods for kernel ridge regression (KRR) problems with a moderate to large number of data points ($10^4 \leq N \leq 10^7$). We develop and analyze two randomized preconditioners with complementary guarantees. For full-data KRR, RPCholesky preconditioning requires $O(N^2)$ arithmetic operations to achieve fixed accuracy under sufficiently rapid eigenvalue decay of the kernel matrix. For restricted KRR with $k\ll N$ centers, KRILL preconditioning requires $O((N+k^2)k\log k)$ operations with no eigenvalue-decay assumption. Experiments on benchmark and scientific data sets demonstrate the robustness of both methods relative to existing preconditioners.

math.NA

Enhancing Physics-Informed Neural Networks Through Feature Engineering

Physics-Informed Neural Networks (PINNs) seek to solve partial differential equations (PDEs) with deep learning. Mainstream approaches that deploy fully-connected multi-layer deep learning architectures require prolonged training to achieve even moderate accuracy, while recent work on feature engineering allows higher accuracy and faster convergence. This paper introduces SAFE-NET, a Single-layered Adaptive Feature Engineering NETwork that achieves orders-of-magnitude lower errors with far fewer parameters than baseline feature engineering methods. SAFE-NET returns to basic ideas in machine learning, using Fourier features, a simplified single hidden layer network architecture, and an effective optimizer that improves the conditioning of the PINN optimization problem. Numerical results show that SAFE-NET converges faster and typically outperforms deeper networks and more complex architectures. It consistently uses fewer parameters -- on average, 65% fewer than the competing feature engineering methods -- while achieving comparable accuracy in less than 30% of the training epochs. Moreover, each SAFE-NET epoch is 95% faster than those of competing feature engineering approaches. These findings challenge the prevailing belief that modern PINNs effectively learn features in these scientific applications and highlight the efficiency gains possible through feature engineering.

cs.LG

Have ASkotch: A Neat Solution for Large-scale Kernel Ridge Regression

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, full KRR solvers are challenging to scale to large datasets: both direct (i.e., Cholesky decomposition) and iterative methods (i.e., PCG) incur prohibitive computational and storage costs. The standard approach to scale KRR to large datasets chooses a set of inducing points and solves an approximate version of the problem, inducing points KRR. However, the resulting solution tends to have worse predictive performance than the full KRR solution. In this work, we introduce a new solver, ASkotch, for full KRR that provides better solutions faster than state-of-the-art solvers for full and inducing points KRR. ASkotch is a scalable, accelerated, iterative method for full KRR that provably obtains linear convergence. Under appropriate conditions, we show that ASkotch obtains condition-number-free linear convergence. This convergence analysis rests on the theory of ridge leverage scores and determinantal point processes. ASkotch outperforms state-of-the-art KRR solvers on a testbed of 23 large-scale KRR regression and classification tasks derived from a wide range of application domains, demonstrating the superiority of full KRR over inducing points KRR. Our work opens up the possibility of as-yet-unimagined applications of full KRR across a number of disciplines.

cs.LG

GeNIOS: an (almost) second-order operator-splitting solver for large-scale convex optimization

We introduce the GEneralized Newton Inexact Operator Splitting solver (GeNIOS) for large-scale convex optimization. GeNIOS speeds up ADMM by approximately solving approximate subproblems: it uses a second-order approximation to the most challenging ADMM subproblem and solves it inexactly with a fast randomized solver. Despite these approximations, GeNIOS retains the convergence rate of classic ADMM and can detect primal and dual infeasibility from the algorithm iterates. At each iteration, the algorithm solves a positive-definite linear system that arises from a second-order approximation of the first subproblem and computes an approximate proximal operator. GeNIOS solves the linear system using an indirect solver with a randomized preconditioner, making it particularly useful for large-scale problems with dense data. Our high-performance open-source implementation in Julia allows users to specify convex optimization problems directly (with or without conic reformulation) and allows extensive customization. We illustrate GeNIOS's performance on a variety of problem types. Notably, GeNIOS is up to ten times faster than existing solvers on large-scale, dense problems.

math.OC

Turbocharging Gaussian Process Inference with Approximate Sketch-and-Project

Gaussian processes (GPs) play an essential role in biostatistics, scientific machine learning, and Bayesian optimization for their ability to provide probabilistic predictions and model uncertainty. However, GP inference struggles to scale to large datasets (which are common in modern applications), since it requires the solution of a linear system whose size scales quadratically with the number of samples in the dataset. We propose an approximate, distributed, accelerated sketch-and-project algorithm ($\texttt{ADASAP}$) for solving these linear systems, which improves scalability. We use the theory of determinantal point processes to show that the posterior mean induced by sketch-and-project rapidly converges to the true posterior mean. In particular, this yields the first efficient, condition number-free algorithm for estimating the posterior mean along the top spectral basis functions, showing that our approach is principled for GP inference. $\texttt{ADASAP}$ outperforms state-of-the-art solvers based on conjugate gradient and coordinate descent across several benchmark datasets and a large-scale Bayesian optimization task. Moreover, $\texttt{ADASAP}$ scales to a dataset with $> 3 \cdot 10^8$ samples, a feat which has not been accomplished in the literature.

cs.LG

On the (linear) convergence of Generalized Newton Inexact ADMM

This paper presents GeNI-ADMM, a framework for large-scale composite convex optimization that facilitates theoretical analysis of both existing and new approximate ADMM schemes. GeNI-ADMM encompasses any ADMM algorithm that solves a first- or second-order approximation to the ADMM subproblem inexactly. GeNI-ADMM exhibits the usual $\mathcal{O} (1/t)$-convergence rate under standard hypotheses and converges linearly under additional hypotheses such as strong convexity. Further, the GeNI-ADMM framework provides explicit convergence rates for ADMM variants accelerated with randomized linear algebra, such as NysADMM and sketch-and-solve ADMM, resolving an important open question on the convergence of these methods. This analysis quantifies the benefit of improved approximations and can aid in the design of new ADMM variants with faster convergence.

math.OC

SAPPHIRE: Preconditioned Stochastic Variance Reduction for Faster Large-Scale Statistical Learning

Regularized empirical risk minimization (rERM) has become important in data-intensive fields such as genomics and advertising, with stochastic gradient methods typically used to solve the largest problems. However, ill-conditioned objectives and non-smooth regularizers undermine the performance of traditional stochastic gradient methods, leading to slow convergence and significant computational costs. To address these challenges, we propose the $\texttt{SAPPHIRE}$ ($\textbf{S}$ketching-based $\textbf{A}$pproximations for $\textbf{P}$roximal $\textbf{P}$reconditioning and $\textbf{H}$essian $\textbf{I}$nexactness with Variance-$\textbf{RE}$educed Gradients) algorithm, which integrates sketch-based preconditioning to tackle ill-conditioning and uses a scaled proximal mapping to minimize the non-smooth regularizer. This stochastic variance-reduced algorithm achieves condition-number-free linear convergence to the optimum, delivering an efficient and scalable solution for ill-conditioned composite large-scale convex machine learning problems. Extensive experiments on lasso and logistic regression demonstrate that $\texttt{SAPPHIRE}$ often converges $20$ times faster than other common choices such as $\texttt{Catalyst}$, $\texttt{SAGA}$, and $\texttt{SVRG}$. This advantage persists even when the objective is non-convex or the preconditioner is infrequently updated, highlighting its robust and practical effectiveness.

stat.ML

CRONOS: Enhancing Deep Learning with Scalable GPU Accelerated Convex Neural Networks

We introduce the CRONOS algorithm for convex optimization of two-layer neural networks. CRONOS is the first algorithm capable of scaling to high-dimensional datasets such as ImageNet, which are ubiquitous in modern deep learning. This significantly improves upon prior work, which has been restricted to downsampled versions of MNIST and CIFAR-10. Taking CRONOS as a primitive, we then develop a new algorithm called CRONOS-AM, which combines CRONOS with alternating minimization, to obtain an algorithm capable of training multi-layer networks with arbitrary architectures. Our theoretical analysis proves that CRONOS converges to the global minimum of the convex reformulation under mild assumptions. In addition, we validate the efficacy of CRONOS and CRONOS-AM through extensive large-scale numerical experiments with GPU acceleration in JAX. Our results show that CRONOS-AM can obtain comparable or better validation accuracy than predominant tuned deep learning optimizers on vision and language tasks with benchmark datasets such as ImageNet and IMDb. To the best of our knowledge, CRONOS is the first algorithm which utilizes the convex reformulation to enhance performance on large-scale learning tasks.

cs.LG

Challenges in Training PINNs: A Loss Landscape Perspective

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.

cs.LG

PROMISE: Preconditioned Stochastic Optimization Methods by Incorporating Scalable Curvature Estimates

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.

math.OC

SketchySGD: Reliable Stochastic Optimization via Randomized Curvature Estimates

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.

math.OC

Can we globally optimize cross-validation loss? Quasiconvexity in ridge regression

Models like LASSO and ridge regression are extensively used in practice due to their interpretability, ease of use, and strong theoretical guarantees. Cross-validation (CV) is widely used for hyperparameter tuning in these models, but do practical optimization methods minimize the true out-of-sample loss? A recent line of research promises to show that the optimum of the CV loss matches the optimum of the out-of-sample loss (possibly after simple corrections). It remains to show how tractable it is to minimize the CV loss. In the present paper, we show that, in the case of ridge regression, the CV loss may fail to be quasiconvex and thus may have multiple local optima. We can guarantee that the CV loss is quasiconvex in at least one case: when the spectrum of the covariate matrix is nearly flat and the noise in the observed responses is not too high. More generally, we show that quasiconvexity status is independent of many properties of the observed data (response norm, covariate-matrix right singular vectors and singular-value scaling) and has a complex dependence on the few that remain. We empirically confirm our theory using simulated experiments.

stat.ML

NysADMM: faster composite convex optimization via low-rank approximation

This paper develops a scalable new algorithm, called NysADMM, to minimize a smooth convex loss function with a convex regularizer. NysADMM accelerates the inexact Alternating Direction Method of Multipliers (ADMM) by constructing a preconditioner for the ADMM subproblem from a randomized low-rank Nyström approximation. NysADMM comes with strong theoretical guarantees: it solves the ADMM subproblem in a constant number of iterations when the rank of the Nyström approximation is the effective dimension of the subproblem regularized Gram matrix. In practice, ranks much smaller than the effective dimension can succeed, so NysADMM uses an adaptive strategy to choose the rank that enjoys analogous guarantees. Numerical experiments on real-world datasets demonstrate that NysADMM can solve important applications, such as the lasso, logistic regression, and support vector machines, in half the time (or less) required by standard solvers. The breadth of problems on which NysADMM beats standard solvers is a surprise: it suggests that ADMM is a dominant paradigm for numerical optimization across a wide range of statistical learning problems that are usually solved with bespoke methods.

math.OC

Randomized Nyström Preconditioning

This paper introduces the Nyström PCG algorithm for solving a symmetric positive-definite linear system. The algorithm applies the randomized Nyström method to form a low-rank approximation of the matrix, which leads to an efficient preconditioner that can be deployed with the conjugate gradient algorithm. Theoretical analysis shows that preconditioned system has constant condition number as soon as the rank of the approximation is comparable with the number of effective degrees of freedom in the matrix. The paper also develops adaptive methods that provably achieve similar performance without knowledge of the effective dimension. Numerical tests show that Nyström PCG can rapidly solve large linear systems that arise in data analysis problems, and it surpasses several competing methods from the literature.

math.NA