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Donald Goldfarb

Publications and source records attributed to Donald Goldfarb.

At least 19 recordsLinked to original sources

Demystifying Manifold Constraints in LLM Pre-training

The empirical success of large language model (LLM) pre-training relies heavily on heuristic stabilization techniques, such as explicit normalization layers and weight decay. While recent constrained optimization approaches that explicitly restrict weights may improve numerical stability and performance, the mechanism and motivation for adding constraints still remain elusive. This paper systematically demystifies the role of explicit manifold constraints in LLM pre-training. By introducing the Msign-Aligned Constrained Riemannian Optimizer (MACRO)-a provably convergent, single-loop optimization framework-our study disentangles weight regularization heuristics from interacting mechanisms like RMS normalization and decoupled weight decay. Theoretical analyses and comprehensive empirical evaluations reveal that manifold constraints independently bound forward activation scales and enforce stable rotational equilibrium, thereby subsuming the roles of these heuristic mechanisms. Evaluations on large-scale LLM architectures demonstrate that MACRO achieves highly competitive performance while rigorously preserving the theoretical guarantees of exact Riemannian optimization.

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Non-Convex Self-Concordant Functions: Practical Algorithms and Complexity Analysis

We extend the standard notion of self-concordance to non-convex optimization and develop a family of second-order algorithms with global convergence guarantees. In particular, two function classes -- \textit{weakly self-concordant} functions and \textit{$F$-based self-concordant} functions -- generalize the self-concordant framework beyond convexity, without assuming the Lipschitz continuity of the gradient or Hessian. For these function classes, we propose a regularized Newton method and an adaptive regularization method that achieve an $\epsilon$-approximate first-order stationary point in $O(\epsilon^{-2})$ iterations. Equipped with an oracle capable of detecting negative curvature, the adaptive algorithm can further attain convergence to an approximate second-order stationary point. Our experimental results demonstrate that the proposed methods offer superior robustness and computational efficiency compared to cubic regularization and trust-region approaches, underscoring the broad potential of self-concordant regularization for large-scale and neural network optimization problems.

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ASGO: Adaptive Structured Gradient Optimization

Training deep neural networks is a structured optimization problem, because the parameters are naturally represented by matrices and tensors rather than by vectors. Under this structural representation, it has been widely observed that gradients are low-rank and Hessians are approximately block diagonal. These structured properties are crucial for designing efficient optimization algorithms, but are not utilized by many current popular optimizers like Adam. In this paper, we present a novel optimization algorithm ASGO that capitalizes on these properties by employing a preconditioner that is adaptively updated using structured gradients. By a fine-grained theoretical analysis, ASGO is proven to achieve superior convergence rates compared to existing structured gradient methods. Based on this convergence theory, we further demonstrate that ASGO can benefit from low-rank gradients and block diagonal Hessians. We also discuss practical modifications of ASGO and empirically verify ASGO's effectiveness on language model tasks. Code is available at https://github.com/infinity-stars/ASGO.

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Layer-wise Adaptive Step-Sizes for Stochastic First-Order Methods for Deep Learning

We propose a new per-layer adaptive step-size procedure for stochastic first-order optimization methods for minimizing empirical loss functions in deep learning, eliminating the need for the user to tune the learning rate (LR). The proposed approach exploits the layer-wise stochastic curvature information contained in the diagonal blocks of the Hessian in deep neural networks (DNNs) to compute adaptive step-sizes (i.e., LRs) for each layer. The method has memory requirements that are comparable to those of first-order methods, while its per-iteration time complexity is only increased by an amount that is roughly equivalent to an additional gradient computation. Numerical experiments show that SGD with momentum and AdamW combined with the proposed per-layer step-sizes are able to choose effective LR schedules and outperform fine-tuned LR versions of these methods as well as popular first-order and second-order algorithms for training DNNs on Autoencoder, Convolutional Neural Network (CNN) and Graph Convolutional Network (GCN) models. Finally, it is proved that an idealized version of SGD with the layer-wise step sizes converges linearly when using full-batch gradients.

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A Mini-Block Fisher Method for Deep Neural Networks

Deep neural networks (DNNs) are currently predominantly trained using first-order methods. Some of these methods (e.g., Adam, AdaGrad, and RMSprop, and their variants) incorporate a small amount of curvature information by using a diagonal matrix to precondition the stochastic gradient. Recently, effective second-order methods, such as KFAC, K-BFGS, Shampoo, and TNT, have been developed for training DNNs, by preconditioning the stochastic gradient by layer-wise block-diagonal matrices. Here we propose a "mini-block Fisher (MBF)" preconditioned gradient method, that lies in between these two classes of methods. Specifically, our method uses a block-diagonal approximation to the empirical Fisher matrix, where for each layer in the DNN, whether it is convolutional or feed-forward and fully connected, the associated diagonal block is itself block-diagonal and is composed of a large number of mini-blocks of modest size. Our novel approach utilizes the parallelism of GPUs to efficiently perform computations on the large number of matrices in each layer. Consequently, MBF's per-iteration computational cost is only slightly higher than it is for first-order methods. The performance of our proposed method is compared to that of several baseline methods, on both autoencoder and CNN problems, to validate its effectiveness both in terms of time efficiency and generalization power. Finally, it is proved that an idealized version of MBF converges linearly.

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Tensor Normal Training for Deep Learning Models

Despite the predominant use of first-order methods for training deep learning models, second-order methods, and in particular, natural gradient methods, remain of interest because of their potential for accelerating training through the use of curvature information. Several methods with non-diagonal preconditioning matrices, including KFAC, Shampoo, and K-BFGS, have been proposed and shown to be effective. Based on the so-called tensor normal (TN) distribution, we propose and analyze a brand new approximate natural gradient method, Tensor Normal Training (TNT), which like Shampoo, only requires knowledge of the shape of the training parameters. By approximating the probabilistically based Fisher matrix, as opposed to the empirical Fisher matrix, our method uses the block-wise covariance of the sampling based gradient as the pre-conditioning matrix. Moreover, the assumption that the sampling-based (tensor) gradient follows a TN distribution, ensures that its covariance has a Kronecker separable structure, which leads to a tractable approximation to the Fisher matrix. Consequently, TNT's memory requirements and per-iteration computational costs are only slightly higher than those for first-order methods. In our experiments, TNT exhibited superior optimization performance to state-of-the-art first-order methods, and comparable optimization performance to the state-of-the-art second-order methods KFAC and Shampoo. Moreover, TNT demonstrated its ability to generalize as well as first-order methods, while using fewer epochs.

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Kronecker-factored Quasi-Newton Methods for Deep Learning

Second-order methods have the capability of accelerating optimization by using much richer curvature information than first-order methods. However, most are impractical for deep learning, where the number of training parameters is huge. In Goldfarb et al. (2020), practical quasi-Newton methods were proposed that approximate the Hessian of a multilayer perceptron (MLP) model by a layer-wise block diagonal matrix where each layer's block is further approximated by a Kronecker product corresponding to the structure of the Hessian restricted to that layer. Here, we extend these methods to enable them to be applied to convolutional neural networks (CNNs), by analyzing the Kronecker-factored structure of the Hessian matrix of convolutional layers. Several improvements to the methods in Goldfarb et al. (2020) are also proposed that can be applied to both MLPs and CNNs. These new methods have memory requirements comparable to first-order methods and much less per-iteration time complexity than those in Goldfarb et al. (2020). Moreover, convergence results are proved for a variant under relatively mild conditions. Finally, we compared the performance of our new methods against several state-of-the-art (SOTA) methods on MLP autoencoder and CNN problems, and found that they outperformed the first-order SOTA methods and performed comparably to the second-order SOTA methods.

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Practical Quasi-Newton Methods for Training Deep Neural Networks

We consider the development of practical stochastic quasi-Newton, and in particular Kronecker-factored block-diagonal BFGS and L-BFGS methods, for training deep neural networks (DNNs). In DNN training, the number of variables and components of the gradient $n$ is often of the order of tens of millions and the Hessian has $n^2$ elements. Consequently, computing and storing a full $n \times n$ BFGS approximation or storing a modest number of (step, change in gradient) vector pairs for use in an L-BFGS implementation is out of the question. In our proposed methods, we approximate the Hessian by a block-diagonal matrix and use the structure of the gradient and Hessian to further approximate these blocks, each of which corresponds to a layer, as the Kronecker product of two much smaller matrices. This is analogous to the approach in KFAC, which computes a Kronecker-factored block-diagonal approximation to the Fisher matrix in a stochastic natural gradient method. Because the indefinite and highly variable nature of the Hessian in a DNN, we also propose a new damping approach to keep the upper as well as the lower bounds of the BFGS and L-BFGS approximations bounded. In tests on autoencoder feed-forward neural network models with either nine or thirteen layers applied to three datasets, our methods outperformed or performed comparably to KFAC and state-of-the-art first-order stochastic methods.

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Increasing Iterate Averaging for Solving Saddle-Point Problems

Many problems in machine learning and game theory can be formulated as saddle-point problems, for which various first-order methods have been developed and proven efficient in practice. Under the general convex-concave assumption, most first-order methods only guarantee an ergodic convergence rate, that is, the uniform averages of the iterates converge at a $O(1/T)$ rate in terms of the saddle-point residual. However, numerically, the iterates themselves can often converge much faster than the uniform averages. This observation motivates increasing averaging schemes that put more weight on later iterates, in contrast to the usual uniform averaging. We show that such increasing averaging schemes, applied to various first-order methods, are able to preserve the $O(1/T)$ convergence rate with no additional assumptions or computational overhead. Extensive numerical experiments on zero-sum game solving, market equilibrium computation and image denoising demonstrate the effectiveness of the proposed schemes. In particular, the increasing averages consistently outperform the uniform averages in all test problems by orders of magnitude. When solving matrix and extensive-form games, increasing averages consistently outperform the last iterates as well. For matrix games, a first-order method equipped with increasing averaging outperforms the highly competitive CFR$^+$ algorithm.

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A Dynamic Sampling Adaptive-SGD Method for Machine Learning

We propose a stochastic optimization method for minimizing loss functions, expressed as an expected value, that adaptively controls the batch size used in the computation of gradient approximations and the step size used to move along such directions, eliminating the need for the user to tune the learning rate. The proposed method exploits local curvature information and ensures that search directions are descent directions with high probability using an acute-angle test and can be used as a method that has a global linear rate of convergence on self-concordant functions with high probability. Numerical experiments show that this method is able to choose the best learning rates and compares favorably to fine-tuned SGD for training logistic regression and DNNs. We also propose an adaptive version of ADAM that eliminates the need to tune the base learning rate and compares favorably to fine-tuned ADAM on training DNNs. In our DNN experiments, we rarely encountered negative curvature at the current point along the step direction in DNNs.

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ADMM for Multiaffine Constrained Optimization

We expand the scope of the alternating direction method of multipliers (ADMM). Specifically, we show that ADMM, when employed to solve problems with multiaffine constraints that satisfy certain verifiable assumptions, converges to the set of constrained stationary points if the penalty parameter in the augmented Lagrangian is sufficiently large. When the Kurdyka-Łojasiewicz (K-Ł) property holds, this is strengthened to convergence to a single constrained stationary point. Our analysis applies under assumptions that we have endeavored to make as weak as possible. It applies to problems that involve nonconvex and/or nonsmooth objective terms, in addition to the multiaffine constraints that can involve multiple (three or more) blocks of variables. To illustrate the applicability of our results, we describe examples including nonnegative matrix factorization, sparse learning, risk parity portfolio selection, nonconvex formulations of convex problems, and neural network training. In each case, our ADMM approach encounters only subproblems that have closed-form solutions.

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Efficient Subsampled Gauss-Newton and Natural Gradient Methods for Training Neural Networks

We present practical Levenberg-Marquardt variants of Gauss-Newton and natural gradient methods for solving non-convex optimization problems that arise in training deep neural networks involving enormous numbers of variables and huge data sets. Our methods use subsampled Gauss-Newton or Fisher information matrices and either subsampled gradient estimates (fully stochastic) or full gradients (semi-stochastic), which, in the latter case, we prove convergent to a stationary point. By using the Sherman-Morrison-Woodbury formula with automatic differentiation (backpropagation) we show how our methods can be implemented to perform efficiently. Finally, numerical results are presented to demonstrate the effectiveness of our proposed methods.

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Leader Stochastic Gradient Descent for Distributed Training of Deep Learning Models: Extension

We consider distributed optimization under communication constraints for training deep learning models. We propose a new algorithm, whose parameter updates rely on two forces: a regular gradient step, and a corrective direction dictated by the currently best-performing worker (leader). Our method differs from the parameter-averaging scheme EASGD in a number of ways: (i) our objective formulation does not change the location of stationary points compared to the original optimization problem; (ii) we avoid convergence decelerations caused by pulling local workers descending to different local minima to each other (i.e. to the average of their parameters); (iii) our update by design breaks the curse of symmetry (the phenomenon of being trapped in poorly generalizing sub-optimal solutions in symmetric non-convex landscapes); and (iv) our approach is more communication efficient since it broadcasts only parameters of the leader rather than all workers. We provide theoretical analysis of the batch version of the proposed algorithm, which we call Leader Gradient Descent (LGD), and its stochastic variant (LSGD). Finally, we implement an asynchronous version of our algorithm and extend it to the multi-leader setting, where we form groups of workers, each represented by its own local leader (the best performer in a group), and update each worker with a corrective direction comprised of two attractive forces: one to the local, and one to the global leader (the best performer among all workers). The multi-leader setting is well-aligned with current hardware architecture, where local workers forming a group lie within a single computational node and different groups correspond to different nodes. For training convolutional neural networks, we empirically demonstrate that our approach compares favorably to state-of-the-art baselines. This work is a gentle extension of [2].

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Quasi-Newton Methods: Superlinear Convergence Without Line Searches for Self-Concordant Functions

We consider the use of a curvature-adaptive step size in gradient-based iterative methods, including quasi-Newton methods, for minimizing self-concordant functions, extending an approach first proposed for Newton's method by Nesterov. This step size has a simple expression that can be computed analytically; hence, line searches are not needed. We show that using this step size in the BFGS method (and quasi-Newton methods in the Broyden convex class other than the DFP method) results in superlinear convergence for strongly convex self-concordant functions. We present numerical experiments comparing gradient descent and BFGS methods using the curvature-adaptive step size to traditional methods on deterministic logistic regression problems, and to versions of stochastic gradient descent on stochastic optimization problems.

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Block BFGS Methods

We introduce a quasi-Newton method with block updates called Block BFGS. We show that this method, performed with inexact Armijo-Wolfe line searches, converges globally and superlinearly under the same convexity assumptions as BFGS. We also show that Block BFGS is globally convergent to a stationary point when applied to non-convex functions with bounded Hessian, and discuss other modifications for non-convex minimization. Numerical experiments comparing Block BFGS, BFGS and gradient descent are presented.

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Unbiased Simulation for Optimizing Stochastic Function Compositions

In this paper, we introduce an unbiased gradient simulation algorithms for solving convex optimization problem with stochastic function compositions. We show that the unbiased gradient generated from the algorithm has finite variance and finite expected computation cost. We then combined the unbiased gradient simulation with two variance reduced algorithms (namely SVRG and SCSG) and showed that the proposed optimization algorithms based on unbiased gradient simulations exhibit satisfactory convergence properties. Specifically, in the SVRG case, the algorithm with simulated gradient can be shown to converge linearly to optima in expectation and almost surely under strong convexity. Finally, for the numerical experiment,we applied the algorithms to two important cases of stochastic function compositions optimization: maximizing the Cox's partial likelihood model and training conditional random fields.

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Greedy Approaches to Symmetric Orthogonal Tensor Decomposition

Finding the symmetric and orthogonal decomposition (SOD) of a tensor is a recurring problem in signal processing, machine learning and statistics. In this paper, we review, establish and compare the perturbation bounds for two natural types of incremental rank-one approximation approaches. Numerical experiments and open questions are also presented and discussed.

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Using Negative Curvature in Solving Nonlinear Programs

Minimization methods that search along a curvilinear path composed of a non-ascent nega- tive curvature direction in addition to the direction of steepest descent, dating back to the late 1970s, have been an effective approach to finding a stationary point of a function at which its Hessian is positive semidefinite. For constrained nonlinear programs arising from recent appli- cations, the primary goal is to find a stationary point that satisfies the second-order necessary optimality conditions. Motivated by this, we generalize the approach of using negative curvature directions from unconstrained optimization to nonlinear ones. We focus on equality constrained problems and prove that our proposed negative curvature method is guaranteed to converge to a stationary point satisfying second-order necessary conditions. A possible way to extend our proposed negative curvature method to general nonlinear programs is also briefly discussed.

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