Quasi-Newton Methods

Quasi-Newton (QN) methods have long been among the most effective methods for large-scale unconstrained convex optimization. Two obstacles have limited their use in deep learning: non-convexity and enormous parameter sizes. We introduce SoftServe, a family of QN methods designed to overcome these obstacles without line searches or ad hoc curvature corrections. SoftServe derives positivedefinite curvature estimates from the variational objective of Berglund et al. (2025), even in the presence of negative curvature. We develop diagonal and Kroneckerfactored variants that preserve positive definiteness by construction and scale to massive neural networks. Finally, SoftServe relies on the stable coupled Newton-Schulz iteration for the required matrix operations, replacing costly matrix decompositions with GPU-friendly matrix multiplications. SoftServe excels on problems that are severely ill-conditioned, including tasks such as recurrent networks, deep autoencoders, physics-informed neural networks, and a 136M-parameter physics-informed diffusion model, often achieving lower losses than established baselines including Adam, Muon, and SOAP.

Differentiable optimization brings the structural guarantees of mathematical optimization to network pipelines, allowing them to be trained end-to-end. However, its application remains challenging for nonconvex constrained problems, as existing differentiable solvers often suffer from limited modeling expressiveness due to their reliance on specialized problem structures, while also incurring substantial computation time and memory overhead in both the forward and backward passes. To address these challenges, we propose lapanda, a matrix-free differentiable solver for nonconvex optimization with general constraints. It reformulates the problem to a sequence of augmented Lagrangian subproblems, each handled by a first-order inner solver through a proximal averaged quasi-Newton algorithm with adaptive linesearch, thus enabling efficient forward optimization. We establish local well-posedness of the solution map and convergence of the outer iterations, and further derive a sensitivity alignment between the original problem and the final subproblem in the backward pass, demonstrating that the subproblem sensitivity, which can be computed efficiently in a matrix-free manner, provides a principled approximation to the exact optimizer sensitivity. We evaluate lapanda on nonconvex constrained Rosenbrock benchmarks, imitation learning with several representative constrained optimal control problems, and embedded robotic obstacle-avoidance tasks. Compared with state-of-the-art differentiable solvers, lapanda delivers substantial reductions in computation time and memory footprint while maintaining reliable constraint satisfaction and learning performance.

Physics-informed neural networks (PINNs) often require high-accuracy quasi-Newton refinement to obtain reliable partial differential equation solutions, but their residual objectives can exhibit indefinite, nearly singular, and poorly scaled local curvature. Regularized quasi-Newton methods provide established mechanisms for stabilizing secant models, while self-concordant methods provide local-metric rules for curvature-dependent step selection. Building on these two lines of work, we propose SCORE, a self-concordance-inspired quasi-Newton method with decrement-coupled shifted secant geometry for PINN training. Its distinguishing mechanism is that a single quasi-Newton decrement computed from the learned inverse metric jointly determines a strong-Wolfe-tested candidate step and an adaptive shift used to define the next secant geometry. The shifted displacement represents the action of an averaged shifted metric along the accepted step, while requiring neither Hessian construction nor Hessian-vector products. Under a local spectral-equivalence condition, we show that the quasi-Newton decrement and candidate step remain comparable to their counterparts in a positive shifted metric, and recover the normalized self-concordant rule in the matched-metric case. Strong Wolfe acceptance, fallback line search, and standard curvature safeguards provide globalization without modifying the underlying PINN objective. Experiments on the viscous Burgers, Kuramoto--Sivashinsky, Korteweg--de Vries, and complex Ginzburg--Landau equations show that SCORE attains lower final errors than the tested BFGS and self-scaled Broyden baselines. The Burgers ablation further indicates that shifted curvature stabilization and decrement-based step selection make complementary contributions to high-accuracy refinement.

Adaptive optimizers carry hidden states that change how visible gradients become parameter motion. We develop optimization geometrodynamics as a variational theory of this hidden geometry. Infimal pushforward eliminates all hidden states realizing the same action and composes across optimizer hierarchies. Under smooth nondegeneracy, it yields hidden susceptibility and the Schur-complement curvature seen after relaxation. For affine pre-reduction perturbations, the induced interaction curvature is the negative-semidefinite operator $-G^*H^{-1}G$, whose mixed entries integrate to finite mechanism contrasts. Our main realization is the determinant-one affine-invariant SPD action map $P\mapsto PA$. We prove a global analytic bundle with closed totally geodesic fibers and a unique analytic nearest-controller section. A strongly convex fiber theorem and an explicit logarithmic action residual give a globally linearly convergent solver from every feasible initializer, together with nonasymptotic value, controller-distance, and residual bounds and observable posterior stopping certificates. A conditional inexact result propagates supplied rigorous residual-error and radius majorants. The dense spectral kernel is confined to an active subspace of dimension $r\le 2m$, yielding an explicit spectral-arithmetic operation bound and a strict dimensional reduction when $r<d$. For nested shape-normalized quadratic actions, canonical multi-secant projections satisfy an exact CAT(0) Pythagorean decrease and recover the determinant-one inverse Hessian shape at the sharp rank threshold $d-1$, provided the scalar gauge $c_H=(\det H)^{1/d}$ is known. These results turn the action bundle into an exact iterative computation with posterior certificates and a finite-identification theory.

The limited-memory BFGS (L-BFGS) algorithm is a cornerstone of large-scale optimization due to its linear memory and computational costs. However, in ill-conditioned or non-convex landscapes, the implicit inverse Hessian approximation can suffer from an exploding condition number, leading to numerical instability and degraded convergence. To address this, we propose Two-Sided L-BFGS, a safeguarded variant that dynamically constrains the condition number of the inverse Hessian operator via a two-sided geometric envelope. Moreover, we show that Two-Sided L-BFGS preserves accumulated curvature information and maintains standard $O(mn)$ memory and per-iteration time complexities. We prove that this geometric envelope yields a uniform bound on the condition number of every inverse Hessian approximation generated by the algorithm. By tracking the algebraic evolution of the extreme eigenvalues through $m$ consecutive quasi-Newton updates starting from a scaled identity matrix, the resulting bound is expressed explicitly as a function of the memory depth, problem dimension, and envelope hyperparameters. Moreover, we show that Two-Sided L-BFGS preserves asymptotic global convergence in non-convex regimes under standard smoothness and strong Wolfe line-search assumptions, matching the theoretical guarantees of L-BFGS variants utilizing the Li-Fukushima cautious update rule. Numerical experiments on high-dimensional optimization problems demonstrate that the proposed method maintains well-conditioned inverse Hessian approximations and improves robustness and convergence behavior on ill-conditioned benchmarks.

The efficiency of high-power laser systems is limited by wavefront distortions in the beam, particularly non-common path aberrations, which reduce the peak intensity at the focal plane. Compensating for these aberrations requires the calibration of the adaptive optics system. Conventional calibration methods rely on a time-consuming iterative optimization that is highly sensitive to initial conditions. While deep learning-based models offer high speed, they often demonstrate insufficient accuracy. In this work, we present a hybrid wavefront reconstruction method that combines a convolutional neural network to generate an initial estimate of the wavefront distortions, with the L-BFGS (Limited-memory Broyden-Fletcher-Goldfarb-Shanno) algorithm for its subsequent refinement. In numerical simulations, the method achieved an efficiency of $\sim 0.99$ in 80% of the cases for a root-mean-square (RMS) of wavefront distortions ranging from 0 to $1.3λ$. In a physical experiment, for initial wavefront distortions with RMS values from 0.15 to $0.6λ$, the method achieved an efficiency of $\sim 0.75$. As a result, focusing with a Strehl ratio of $0.96 \pm 0.02$ was attained within 2 to 4 iterations of the algorithm, confirming the applicability of the method for the fast and accurate calibration of adaptive optics systems under real experimental conditions.

We formulate machine unlearning for online L-BFGS as a counterfactual state-alignment problem. Given an actual event stream and a deletion-edited counterfactual stream, the target of unlearning is the optimizer state that would have arisen had the deleted samples never been processed. We introduce state-aware metrics that separately measure parameter error, memory-operator error, combined state error, and update-direction error. The memory metric compares the inverse-Hessian actions induced by the o-L-BFGS memory, rather than treating curvature pairs as of finite influence. Under convexity assumptions, we derive a recursive bound on counterfactual state deviation. We then evaluate a state-aware benchmark of deletion interventions, including memory-only and parameter-only corrections, against an counterfactual oracle model. These results show that unlearning for online L-BFGS is not merely a parameter-correction problem: it requires alignment with a realizable counterfactual optimizer state.

Optimal transport (OT) has emerged as a fundamental tool in modern machine learning, yet its computational cost remains a significant bottleneck for large-scale applications. While harnessing the massive parallelism of modern GPU hardware is critical for efficiency, the de facto standard Sinkhorn algorithm, despite its ease of parallelization, often suffers from slow convergence in challenging problems. More recently, the sparse-plus-low-rank quasi-Newton method offers a balance between convergence rate and per-iteration complexity; however, its efficiency on GPUs is severely hindered by the serial nature of sparse matrix symbolic analysis and irregular memory access patterns. To bridge this gap, we present cuRegOT, a high-performance GPU solver tailored for entropic-regularized OT. We introduce a suite of algorithmic and architectural optimizations, including an amortized symbolic analysis strategy to mitigate CPU bottlenecks, an asynchronous Sinkhorn iterates generation mechanism, and a fused kernel for bandwidth-efficient gradient evaluation. These strategies are backed by rigorous theoretical guarantees ensuring algorithmic convergence. Extensive numerical experiments demonstrate that cuRegOT achieves significant speedups over state-of-the-art GPU-based solvers across a variety of benchmark tasks.

In this paper, we introduce the Quasi-Quadratic Gradient (QQG), a novel search direction designed to accelerate the BFGS method within the quasi-Newton framework. By defining the QQG as the product of the inverse Hessian approximation and the current gradient, we explicitly leverage local second-order curvature to rectify the search path. Theoretical analysis and empirical results demonstrate that our approach significantly outperforms vanilla BFGS in convergence speed while maintaining computational efficiency.

End-to-end deep learning has achieved impressive results but often relies on large labeled datasets, exhibits limited generalization to unseen scenarios, and incurs substantial computational cost. Classical optimization methods, in contrast, are more data-efficient and lightweight but frequently suffer from slow convergence. Learned optimizers aim to bridge this gap, yet existing approaches have focused primarily on first-order methods, while learned second-order optimization has received much less attention. We introduce L-SR1, a learned second-order optimizer inspired by the classical Symmetric Rank-One (SR1) method. At its core, L-SR1 employs a Projection-Guided Secant Mechanism (PGSM) that generates positive semi-definite preconditioners and biases meta-training toward the quasi-Newton secant relation. Through controlled analytic benchmarks, we study stability, generalization across problem dimensions, and search direction quality, and further evaluate L-SR1 on Monocular Human Mesh Recovery (HMR), where it outperforms both classical and learned optimization-based baselines. With a compact model and no reliance on task-specific fine-tuning or annotated data, L-SR1 demonstrates strong generalization and can be integrated into a broad range of iterative optimization problems to accelerate convergence and reduce the required number of iterations.