Zeroth-Order Optimization

We introduce AdamX, a first-order optimizer that incorporates cosine similarity as an adaptive mechanism for controlling update magnitudes. The proposed method is scalable, model-agnostic, and straightforward to integrate into existing training pipelines. We further introduce a variance rectification scheme that promotes smoother optimization during the early stages of training. Overall, we provide empirical evidence that AdamX achieves competitive convergence rates across a range of benchmark datasets and architectures. Performance is evaluated in terms of the number of epochs required to reach predefined performance thresholds under a fixed hyperparameter budget. Code and Experiments available at: https://github.com/FranciscoCaldas/adamX.

We study zeroth-order optimization of non-convex functions with the aid of directional hints, which are cheap but potentially inaccurate approximations of the true gradient direction, given by linear subspaces at each iteration. To leverage these hints adaptively while maintaining robustness to their quality, we introduce Control-Variate Zeroth-Order Descent (CV-ZOD), a new framework that refines the classical zeroth-order gradient estimator with a control variate that can be set based on the directional hints. We first show that the oracle algorithm that optimally sets the reference vector and step size at each iteration achieves a convergence rate that interpolates between the first-order $O(1/T)$ rate and the zeroth-order $O(d/T)$ rate, depending on the quality of the hints along the trajectory. We then develop a practical variant of CV-ZOD that achieves the same oracle guarantee up to logarithmic factors, without any prior knowledge of the hint quality. We validate the method empirically on simulation-based scientific optimization tasks, demonstrating sustained progress on non-convex landscapes where zeroth-order descent is slower and existing guided methods stall as guidance deteriorates.

Local learning methods offer an alternative to end-to-end backpropagation, but their unstructured local objectives can produce weak feature learning in deep networks. We study whether the order of hidden-state optimization can address this limitation. We propose a boundary-first inference schedule that partitions a model into chunks, first coordinates hidden states at chunk boundaries, and then refines representations within each chunk. We instantiate this schedule in predictive coding networks (PCNs), a local-learning framework in which hidden activities and prediction errors are explicitly exposed during inference. On CIFAR-10, the resulting boundary-first predictive-coding instantiation improves accuracy over standard predictive coding by $9.77\%$ under a standard parametrization and by $5.51\%$ under a $μ$-parametrization. Diagnostic analyses further show more non-trivial early-layer updates, lower initial-to-final CKA, and more diverse layerwise gradients, consistent with stronger feature learning. These results support boundary-first, chunk-based inference as a practical design principle for predictive-coding training and motivate its study in broader local-learning systems.

Test-time adaptation (TTA) aims to enhance the cross-domain performance of pre-trained models by adapting to unlabeled test data. While most existing TTA methods rely on backpropagation (BP) for finetuning, BP-free methods such as zeroth-order (ZO) methods are more desired in practical on-device scenarios. ZO methods rely only on forward computation, which can largely reduce the complexity and memory overhead of on-device deployment. However, ZO methods suffer from much higher variance compared with first-order methods in estimating the gradient. To address this, we propose an improved ZO method to substantially boost the performance of ZO optimization based TTA. First, we provide an observation to reveal the persistent low-rank Hessian structure of the loss during the adaptation process. Based on this insight, we then propose a loss-landscape curvature-aware zeroth-order (CAZO) method, which leverages a sliding-average estimation of the diagonal Hessian to construct a covariance matrix for anisotropic perturbation sampling. CAZO operates by freezing pretrained weights and optimizing minimal adapter parameters via forward-only passes based gradient estimation, which can substantially reduce the memory overhead compared to BP-based methods. Extensive experiments demonstrate that CAZO significantly outperforms existing TTA methods, achieving state-of-the-art performance while maintaining an excellent balance between accuracy and memory efficiency. Code is available at https://github.com/Hollyming/CAZO.

Recent work has shown that, for smooth convex optimization, plain gradient descent can be accelerated from its textbook convergence rate of $O(T^{-1})$ (where $T$ denotes the number of iterations) to $O\big(T^{-\log_2(1+\sqrt{2})}\big)$ using carefully designed stepsize schedules alone, without resorting to momentum or other algorithmic modifications. Despite this progress, however, little was known about lower bounds for such methods beyond the classical $Ω(T^{-2})$ benchmark for general first-order methods. In this work, we present a new lower bound of $Ω(T^{-1.9319})$ for the last-iterate convergence rate of gradient descent with predetermined nonnegative stepsize schedules. This result provides rigorous evidence that stepsize schedules alone cannot accelerate plain GD to the optimal $O(T^{-2})$ convergence rate. The proof was developed by GPT-5.6 Sol Pro under the authors' guidance.

Self-evolving methods improve the capabilities of LLM agents by sampling trajectories from the underlying LLMs and learning from these trajectories. However, these methods struggle to learn beyond the inherent capability boundary of the agents, since the agents cannot sample correct trajectories on difficult examples for further improvements. In this paper, we propose a zeroth-order self-evolution framework that enables agents to learn beyond their capability boundary by perturbing LLM parameters to adapt to difficult examples without any trajectory annotations. Specifically, we perturb LoRA parameters of LLMs, run the agent, compute the losses under the perturbed and original parameters, and use the loss difference to estimate gradients and further update the LoRA parameters. We sample trajectories using the updated LLMs for supervised fine-tuning to break through the capability boundary of the agents, forming a closed self-evolution loop. We introduce a parallel perturbation inference mechanism and an adaptive lookup mechanism to reduce time consumption in zeroth-order optimization, with an answer perplexity loss that provides smooth and stable zeroth-order loss values. Experiments on multiple deep research benchmarks show that our method obtains substantially more successful trajectories and consistently outperforms strong baselines, especially on difficult examples. The code and released artifacts are available at https://github.com/hidk1911/ZOForLLMAgents.

Differentially private zeroth-order optimization (DP-ZO) enables memory-efficient private fine-tuning of large language models using only forward evaluations. Existing aggregation-based DP-ZO methods reconstruct model updates at a fixed scale, ignoring that the strength of useful signals varies throughout training. Consequently, noise-dominated updates may receive excessive weight and degrade model utility. To address this issue, we propose SAGE, a noise-aware shrinkage method that adaptively attenuates privatized estimates according to their estimated signal quality. SAGE subtracts the known Gaussian noise variance from the observed second moment to estimate the underlying signal energy, stabilizes this estimate through temporal tracking, and compares its current signal-to-noise level with a warm-up reference to derive a bounded shrinkage factor. As pure post-processing, SAGE requires neither additional privacy budget nor model queries and introduces only constant additional state. Our theoretical analysis shows that shrinkage reduces the quadratic update-risk term faster than the linear descent term, preserving useful descent while limiting the influence of noise-dominated updates. Experiments on RoBERTa-large, OPT-1.3B, and OPT-6.7B demonstrate that SAGE outperforms existing baselines in most settings under the same privacy budgets while preserving the forward-only memory efficiency of DP-ZO.

Large language models (LLMs) are increasingly used to solve complex problems by searching over program space, offering a general paradigm for scientific problems that can be naturally represented and solved as programs. Despite recent progress, identifying effective optimization directions for a candidate program remains challenging. By analogy with automatic differentiation, existing methods typically guide the search using a textual ``gradient'': a first-order update direction expressed as textual edits. Such gradients are inferred either from previously evaluated programs or from LLM-generated feedback on the implicit program-score mapping. However, these estimates become increasingly unreliable as the program--score mapping grows more complex, limiting their practical utility. We argue that explicit gradients are not essential for effective program optimization. Leveraging their prior knowledge, LLMs can propose plausible atomic edits directly from the current program, thereby enabling a zeroth-order optimization strategy. However, zeroth-order search suffers from a \textit{weakest-link effect}: when a bundle of edits is accepted or rejected as a whole, a single harmful edit can negate the benefits of all remaining edits. To address this issue, we introduce HERO, a program optimizer that prompts an LLM to generate diverse, non-overlapping atomic edits and then systematically selects and composes them into coherent program improvements using evaluator scores. We evaluate HERO across algorithmic problems, strategy games, the design of LLM-based agentic systems, and robotic path planning. Across these domains, HERO consistently discovers higher-scoring programs and converges substantially faster than prior LLM-based optimizers, while consuming fewer tokens.

Physics-Informed Neural Networks (PINNs) solve differential equations by minimizing the residual of a nonlinear operator over a neural parameterization of the solution. However, monolithic PINNs often suffer from ill-conditioning, spectral bias, and optimization instability. We introduce a variational boosting framework in which solutions are constructed additively in function space. Each stage trains a weak learner whose converged correction satisfies a local orthogonality condition, equivalent to a projected functional gradient descent step onto the tangent space of the network's function manifold. Because each correction network is deliberately small, the restricted minimization admits full Newton or conjugate gradient updates, which are typically infeasible in large PINNs. The resulting method separates global nonlinear refinement into a sequence of well-conditioned subproblems while preserving the full variational structure of the operator. This framework provides a geometric interpretation of multi-stage PINNs as projected functional gradient descent and enables stable second-order optimization for nonlinear differential equations.

Zeroth-Order (ZO) optimization enables On-Device Learning (ODL) on NPU-equipped microcontrollers by estimating gradients through forward passes alone, bypassing the need for backpropagation primitives and reducing memory requirements. The number of gradient samples q critically affects training: insufficient samples produce noisy gradients that plateau early, while excessive samples consume more computational resources. However, finding an optimal q typically requires costly hyperparameter searches. This work introduces QScheduler, an adaptive algorithm that adjusts q based on training progress, and provides the first proof-of-concept of INT8 quantized on-device training on the STM32N6's Neural-ART NPU. Experiments on EuroSAT and STL-10 show that QScheduler matches well-tuned fixed-q configurations for both ResNet18 and MobileNetV2, without requiring prior q hyperparameter optimization.

Under a fixed privacy budget, the utility of differentially private (DP) training is ultimately determined by its optimization efficiency. Standard first-order DP optimizers such as DP-SGD rely solely on local gradients and ignore the underlying loss curvature. This geometric blindness causes severe zigzagging in ill-conditioned landscapes, squandering precious privacy budgets on inefficient iterations. Practitioners are thus trapped in a bind: either stop training prematurely or inject massive per-step noise, both of which critically compromise final model utility. Natural Gradient Descent (NGD) resolves this by preconditioning gradients with curvature, aligning updates with the loss geometry and extracting more efficient signal from every noisy step, offering a principled pathway to break the privacy-utility bottleneck. Despite its theoretical appeal, directly integrating NGD with DP introduces fundamental challenges: curvature estimation itself consumes prohibitive privacy budgets, isotropic DP operations conflict with the anisotropic scaling of NGD, and the inverse curvature catastrophically amplify parameter updates in flat directions, causing training instability. We propose DP-NGD, a practical framework that systematically addresses these obstacles by decoupling curvature estimation from private data, reconciling isotropic DP constraints with anisotropic second-order optimization via a whitened-space mechanism, and dynamically clamping the curvature to stabilize training. Extensive experiments on standard benchmarks demonstrate that DP-NGD achieves state-of-the-art accuracy, breaking through the utility ceilings of first-order baselines while delivering up to a $10\times$ convergence speedup under the same privacy budget.

Test-time adaptation (TTA) mitigates domain shifts by using incoming test data to update a model on the fly. The majority of TTA methods require resource-intensive backpropagation (BP) for model updates, particularly demanding large memory sizes, which makes it infeasible to deploy them on resource-limited devices (e.g., edge devices). To address this issue, we integrate two different techniques, zeroth-order optimization (ZOO) and model merging, under the recently established cross-device collaborative TTA (CDC-TTA) framework, where the system is composed of a mixture of resource-abundant and resource-limited devices, and the model information (e.g., model weights obtained on each device) is shared across the devices. Our method is executable on resource-limited devices by introducing ZOO, which requires only forward processing and bypasses the resource-intensive BP optimization. Concurrently, to mitigate the high-dimensional optimization difficulty caused by the side effect of ZOO, we incorporate model merging of the shared multiple models and set the merge coefficients as the optimization objective, which successfully reduces the optimization dimension. In addition, to enhance the synergistic combination of ZOO and model merging, we propose a unique preprocessing strategy that trims intra-model non-influential weights and reduces the inter-model information redundancy. We empirically confirmed the effectiveness of our method using common corruption and style-transferred image benchmarks.

Zeroth-order (ZO) optimization enables fine-tuning large language models when backpropagation is unavailable or memory-prohibitive, but existing methods often perturb full model weights or randomly constructed low-dimensional subspaces, yielding high-variance estimates and limited performance. We propose ZO-Act, an activation-informed ZO fine-tuning method that restricts perturbations to a fixed low-rank subspace derived from input activations. For each linear layer, ZO-Act computes a small activation basis once at initialization and optimizes only lightweight coefficient matrices using forward-only loss evaluations. This reduces the effective perturbation dimension, exposes explicit trainable variables compatible with momentum-based optimizers such as Adam, and naturally supports quantized LLM fine-tuning by keeping low-bit weights frozen. We analyze ZO-Act as zeroth-order optimization over a restricted coefficient space and show that perturbing the low-dimensional coefficients reduces both the variance-dependent convergence term and the finite-difference error of the ZO estimator, at the cost of a controlled subspace approximation bias that is mitigated by the low-rank structure of LLM activations and gradients. Experiments on Llama-3-8B, OPT-13B, and INT4 Llama-3-8B show consistent gains over strong ZO fine-tuning baselines across language understanding, question answering, and commonsense reasoning.

Algorithmic developments in Strategic Classification have been mostly limited to linear classifiers in settings where the best response has a closed-form solution or can be easily approximated. While some work has explored the role of non-linear classifiers in strategic settings, progress in this direction is impeded by the computational intractability of the strategic behaviour. Addressing this, we present a novel method for approximating the best response by exploiting Lagrangian duality. By reformulating the strategic response as a constrained optimisation problem, we can construct a Lagrangian that is amenable to first order optimisation methods. This approach reproduces closed-form strategic behaviour in linear settings and can be straight-forwardly applied to non-linear settings. We show how the Implicit Function Theorem can be used in conjunction with our proposed response formulation during classifier learning to compute the total gradient of the loss. This connects the classifier parameters directly to the consequent strategic behaviour, yielding a novel training algorithm that can exploit this relationship. Experimental evaluation shows that the resulting models achieve improved strategic accuracy on common machine learning datasets.

Traditional meta-heuristics often rely on fixed population sizes, manually chosen search scales, and externally attached parameter-control modules. This paper presents the \textit{Metabolic Multi-Agent Optimizer} (MMAO), a cross-domain optimization framework in which adaptation is derived endogenously from a private-public metabolic resource loop. Each agent carries internal energy, a continuous role state, motion or structural memory, and local search history, while the population shares a communal resource pool. Fitness improvements are converted into normalized metabolic gains through a robust progress scale and a recent success statistic; the same closed loop then regulates sensing intensity, search amplitude, role drift, branching, pruning, respawning, and elite reinvestment. In the continuous setting, MMAO uses energy-regulated symmetric zero-order probing and role-interpolated motion. In the discrete setting, the same control law is instantiated through structural sensing, local route improvement, guided perturbation, and energy-weighted edge reuse. The paper combines an implementation-faithful formulation with a reproducible experimental study on a CEC2017 subset (10D/30D, 20 seeds) and five TSPLIB instances (100 discrete runs in total). The current evidence supports MMAO primarily as a parameter-light, self-calibrating optimization framework whose main validated originality lies in metabolically endogenous resource allocation across heterogeneous search behaviors, rather than as a universally superior optimizer.

High-dimensional partial differential equations (PDEs) with unknown coefficients arise widely in scientific machine learning, including continuous-time reinforcement learning, yet solving them efficiently in a data-driven way remains challenging. Existing deep learning solvers often rely on repeated automatic differentiation to evaluate differential operators, which can cause instability and amplify derivative errors in high dimensions, while probabilistic methods based on stochastic representations require explicit knowledge of the data-generating dynamics and therefore do not apply to black-box environments. We introduce two types of simulators as data-generating mechanisms, and take a ``representing-then-learning" approach that learns the solutions and their derivatives under settings where the underlying PDE operators are accessible only through simulations and pointwise evaluations. Our representation of derivatives relies on the zeroth-order derivative (ZOD) estimators derived from perturbed Monte Carlo trajectories. This fully model-free approach generates targets for the gradient and Hessian networks using only function evaluations. We provide a statistical learning analysis of the proposed approach, including a bias--variance tradeoff for ZODs. Assuming a standard contraction property of the underlying operator, we establish a non-asymptotic error bound that decomposes the total error into discretization error, approximation error, statistical error, and ZOD bias. Crucially, we derive the sample complexity of the learned representations in (weighted) Sobolev space, characterizing the error up to second-order derivatives. Numerical experiments illustrate the competitive performance of the method in moderate and high dimensions.

Recent work on first-order optimizers for empirical risk minimization (ERM) has suggested that smoothness of ERM loss functions in the training data, rather than in the optimization parameters, can be leveraged to improve the oracle complexity of gradient descent (GD) methods. In this paper, we propose an inexact gradient method, piecewise polynomial interpolation-based gradient descent (PPI-GD), which approximates the full gradient in each iteration by querying the first-order oracle at equidistant points in the data domain to construct polynomial interpolants of the resulting gradient samples over appropriately sized patches of the data domain. We analyze the oracle complexity of PPI-GD for strongly convex and non-convex loss functions when the data space dimension is bounded by a polylogarithmic function of the number of training samples, and find it to outperform several GD variants in key regimes when the loss function is sufficiently smooth. Furthermore, our analysis extends several techniques from the error analysis of bicubic spline interpolants to the setting of $d$-variate tensor product polynomial interpolants which may be of independent interest in interpolation analysis.

Fine-tuning large language models (LLMs) has become a central application of modern optimization, enabling pretrained models to adapt to diverse downstream tasks and domain-specific data. A major obstacle in large-scale fine-tuning is the memory overhead of backpropagation, which requires storing activations, gradients, and optimizer states. Zeroth-order (ZO) optimization offers a memory-efficient alternative, but its performance is highly sensitive to the stepsize and smoothing parameter, often requiring costly task-specific tuning. Parameter-free (PF) optimization addresses this issue by adapting algorithmic parameters without prior knowledge of problem-dependent constants. Moreover, large-scale fine-tuning can benefit from geometry-aware updates that account for the heterogeneous structure of parameter blocks, which can be modeled through methods that exploit linear minimization oracle (LMO). In this work, we study PF adaptation for LMO-based ZO optimization and introduce $\texttt{AdaNAGED}$, a method that unifies gradient-free training, adaptive tuning, and non-Euclidean update geometry. We establish convergence guarantees and validate the method on large-scale LLM fine-tuning task with $\texttt{OPT}-1.3\mathrm{B}$ model.

Recent research has developed practical, parallelizable first-order methods for large scale linear programming, but performance is highly dependent on hyperparameter selection. We derive generalization guarantees for hyperparameter tuning within (cu)PDLP, a state-of-the-art first-order LP solver designed for modern hardware. First, we pin down the behavior of PDHG, the primal-dual hybrid gradient algorithm that underlies PDLP, as a function of its step size and primal weight, leading to linear sample complexity guarantees for learning those parameters. We then conduct a structural analysis of PDLP, which augments PDHG with several specialized techniques like preconditioning, adaptive step sizes, averaging, adaptive restarts, and smoothed primal weight updates. Our analysis captures the behavior of the solution trajectory as a function of the hyperparameters and leverages recent advances in data-driven algorithm design to obtain polynomial sample complexity guarantees for learning those hyperparameters. Finally, we conduct proof-of-concept experiments that demonstrate the need for data-driven PDLP parameter tuning. Our results showcase the versatility of the data-driven algorithm design toolkit for principled hyperparameter tuning within solver-grade implementations of complex modern optimization algorithms.

The training of neural networks often entails objective functions that are not globally $L$-smooth. For these functions, it is both theoretically and practically difficult to reply to the question: what is the largest possible step size that ensures the convergence of gradient descent (GD)? We address this longstanding open question in deep learning by providing a unifying definition of "large" step sizes that requires only local Lipschitz (or even Hölder) continuity of the gradient. We design first-order adaptive methods that provably yield large step sizes and show that they operate at the edge of stability (EoS) right from the start of the training. In particular, the loss decreases nonmonotonically and the product between the step size and sharpness, i.e., the largest eigenvalue of the Hessian, stays above the EoS threshold of 2 throughout training. Using our method, we are also able to minimize the sharpness all the way down to its global minimum. Contrary to expectation, we find that encountering globally-flat regions too early in the training may both slow down convergence and jeopardize the generalization ability of the network. Exploiting a self-stabilization argument, we allow GD to enter slightly sharper valleys and turn unsuccessful training runs into very successful ones.

Zeroth-order (ZO) optimization enables memory-efficient fine-tuning of large language models (LLMs) using only forward passes, but it remains unclear how useful adaptation is distributed across layers. In this work, we reveal a surprising phenomenon: ZO fine-tuning is sharply dominated by a single decoding layer. Across multiple LLM families and downstream tasks, fine-tuning this dominant layer alone consistently matches or even exceeds full-model ZO fine-tuning. We further show that the dominant layer is task-agnostic but model-specific, and can be identified before training through a simple inference-only analysis of activation outliers. Specifically, the dominant layer consistently aligns with the first activation-outlier layer in the pre-trained model. To explain this phenomenon, we analyze how perturbation effects propagate under ZO optimization. We find that the dominant layer combines two key properties: high perturbation sensitivity and early placement in the residual stream, allowing perturbation-induced effects to propagate and accumulate through remaining subsequent decoding layers. As a result, this layer produces disproportionately strong and stable optimization signals under forward-only updates. Extensive experiments on LLaMA2-7B and Qwen3-8B across nine benchmarks show that dominant-layer ZO fine-tuning improves average performance over full-model MeZO and LoRA-based ZO fine-tuning while achieving up to 4.52$\times$ training speedup.

Zeroth-order (ZO) optimization is a memory-efficient alternative to backpropagation for fine-tuning large language models, but its deployment is limited by the high variance of gradient estimation. We propose GRZO, a Group-Relative Zeroth-Order optimizer that draws one pseudo-independent perturbation per mini-batch example and aggregates the per-example losses through group-relative normalization, raising the effective gradient-direction count from one to the batch size at no additional forward cost while preserving inference-level memory. We prove that GRZO is directionally unbiased with variance shrinking proportionally to the batch size, yielding a tighter nonconvex convergence bound than MeZO. Across RoBERTa-large, Llama3-8B, and OPT-13B over multiple tasks, GRZO improves average accuracy on Llama3-8B by $+3.0$ over MeZO at $23\%$ lower peak GPU memory; as a drop-in replacement for the MeZO core, it lifts sparse, low-rank, and quantized ZO variants by $+6.0$ on average.

A new class of asynchronous adaptive first-order optimization methods is introduced, comprising asynchronous variants of several popular algorithms. Versions of these methods using momentum and/or inexact normalization are also considered. The convergence of methods in the class on non-convex functions is analyzed in a fully stochastic setting, and is shown to be (up to logarithmic factors) of order O(1/sqrt{t}) under reasonable assumptions. Numerical experiments suggest that such asynchronous adaptive algorithms are very relevant in heterogeneous large-scale machine learning systems.

Communication costs are a major bottleneck in distributed learning and first-order optimization. A common approach to alleviate this issue is to compress the gradient information exchanged between agents. However, such compression typically degrades the convergence guarantees of gradient-based methods. Error feedback mechanisms provide a simple and computationally cheap remedy for this issue, but numerous variants have been proposed, and their relative performance remains poorly understood. This paper provides tight convergence analyses for two of the main error-feedback algorithms from the literature, the classic Error Feedback method (EF) and Error Feedback 21 (EF21), by identifying optimal step-size choices and constructing optimal Lyapunov functions tailored to each method. The results hold independently of the number of agents and recover the known best guarantees possible in the single-agent regime.

Zeroth-order (black-box) optimization is applied when gradients are unavailable and objective evaluations rely on expensive simulations. In many such applications, the oracle fidelity is tunable: higher-accuracy queries reduce noise but incur higher computational costs. To capture this trade-off, we study an accuracy-aware wall-clock model where each query with fidelity $δ$ has a cost $c(δ)$, and we minimize the total time $T_{\mathrm{total}} = \sum_{k=1}^{N} c(δ_k)$, subject to a target accuracy constraint. We show how the choice of oracle type, noise model, and optimization scheme induces explicit wall-clock-optimal choices for the algorithmic parameters. For instance, we demonstrate that accelerated methods can be wall-clock inferior to non-accelerated schemes. Furthermore, we characterize the conditions under which a constant fidelity strategy is optimal in the Big-O sense. Our framework provides a unified methodology to translate convergence guarantees into practical fidelity and batching recommendations.

Accurate Zeroth-Order (ZO) Hessian estimation is a cornerstone of derivative-free methods, essential for tasks such as bilevel optimization, Bayesian inference, and uncertainty quantification. However, obtaining a complete suite of low-variance estimators for the Hessian and its inverse in high-dimensional settings remains a significant challenge. To address this, we propose a unified framework that reinterprets ZO Hessian approximation through the lens of single-step Policy Optimization (PO). This perspective establishes a theoretical equivalence between general ZO Hessian estimators and the Hessian of a smoothed PO objective, unifying distinct classical randomized estimators as specific instances of baseline selection. Building on this foundation, we introduce ZoVH, a comprehensive suite of variance-reduced estimators for the full Hessian matrix, its regularized inverse, and the bias-corrected inverse Hessian-gradient product. ZoVH leverages two key techniques: (1) a unique optimal baseline derived to provably minimize variance, and (2) a query reuse strategy that incorporates historical function queries to enhance sample efficiency without inflating costs. Our rigorous theoretical analysis confirms the unbiasedness of the Hessian estimator, validates the variance optimality of our baseline, provides error bounds for the entire ZoVH suite, and establishes convergence guarantees for the resulting curvature-aware ZO algorithm. Extensive empirical results validate our theoretical findings, demonstrating that ZoVH achieves superior estimation accuracy and convergence performance in real-world applications. Code is available at https://github.com/Qjbtiger/ZoVH

Recent work has analyzed the convergence of first-order methods under non-uniform smoothness assumptions that better model the loss landscape in machine learning tasks. We generalize this assumption to objectives whose curvature is an affine function of the objective value. This property is satisfied by a broad class of problems, including logistic regression, generalized linear models with a logistic link function, softmax policy gradient in reinforcement learning, and a class of neural networks. Under this assumption and gradient domination conditions, we establish a general convergence rate for the steepest descent method, and deterministic, diagonal variants of RMSProp and Adam. Our results imply that for logistic regression on separable data and the softmax policy gradient objective, sign GD converges linearly and is provably faster than GD. Furthermore, we show that for a class of two-layer neural networks on separable data, RMSProp and Adam can converge at a linear rate with a constant step-size and momentum parameter. Finally, we present a lower bound demonstrating that, under our assumption, RMSProp and Adam are provably faster than AdaGrad, AMSGrad, gradient descent, and heavy-ball momentum.

Test-time finetuning (TTFT) is a rapidly evolving paradigm that adapts a language model to each prompt by retrieving related sequences, updating the model on them, and then evaluating the prompt. However, TTFT is only practical if it is fast: selection and finetuning both happen per query, making each a direct bottleneck. Existing methods trade speed for quality: fast retrieval is often redundant, while stronger diversity-aware selection adds prohibitive per-query cost. We introduce HullFT, a geometric approach to TTFT that addresses both bottlenecks. Given a query, HullFT first represents the query embedding as a sparse convex combination of few training sequences, using efficient projection-free Frank-Wolfe optimization. This yields a support set that is inherently relevant and diverse. We then convert the fractional convex weights into an exact integer multiset for finetuning through a geometric integerization procedure. The resulting multiplicities naturally create repeated examples, which we exploit with Gradient Reuse to amortize forward-backward computation across repeated finetuning steps. Our experiments show that HullFT improves the quality-efficiency tradeoff over current state-of-the-art TTFT methods, achieving lower bits-per-byte at substantially lower total runtime.

Safety alignment for large language models (LLMs) aims to reduce harmful or unsafe behavior while preserving general utility. However, recent findings reveal that alignment effects can be fragile: lightweight post-alignment manipulations, such as parameter noise, activation noise, or quantization, can easily weaken the intended safety behavior. Prior efforts to improve robustness have primarily focused on data curation, modified alignment objectives, and safety-critical parameter identification, leaving the role of the optimizer itself largely unexplored. In this paper, we are the first to study the robustness of safety alignment from the perspective of the base optimizer. This optimizer-centric view naturally points to zeroth-order optimization, which provides a robustness-oriented signal by evaluating safety alignment under perturbations. Based on this insight, we propose a hybrid framework that first performs standard first-order safety alignment and then applies zeroth-order refinement to improve robustness. Both theoretically and empirically, we show that only a few zeroth-order refinement steps can enhance robustness while preserving safety alignment. We further improve the efficiency of zeroth-order refinement by exploiting its inherent perturbation-based evaluations to estimate layer-wise robustness sensitivity, enabling the refinement process to concentrate updates on robustness-critical layers with modest training overhead.

Zeroth-order (ZO) optimization removes backpropagation, but conventional implementations still create candidate states by mutating model weights and materialize updates through the full parameter state. We introduce Inference-Native ZO, which exposes ZO's query semantics and lowers candidate-state evaluation and mutable learning state to abstractions an inference runtime can execute directly. We formulate ZO as programmable gradient acquisition through candidate-state queries. Direction construction, candidate selection, observation, estimation, and update semantics form a query process whose model-facing primitive is candidate evaluation. We formalize the logical queries required by that process as a ProbePlan, leaving physical state realization and scheduling to the backend. Factorized side states, persistent-subspace reuse, lazy updates, and optional LoRA banks reduce state-management cost. The same formulation covers token-scoring/prefill queries and autoregressive generation while inheriting adapter dispatch, quantization, batching, parallelism, and scheduling from the runtime. A multivariate central-limit argument connects factorized perturbations to dense Gaussian ZO as rank grows. On OPT-13B, required inference queries account for 98.2% of an inference-native step at batch 64; in repeated batch-16 measurements, the complete step is 1.019x a matched-query control. State-transition DRAM traffic falls from 146.7 GB under dense mutation to 26 MB with persistent banked state. Packed PyTorch matches vLLM within 2.1% across the tested regimes, attributing the ragged-batch gain to padding elimination and variable-length packing. Foreground inference and ZO probes also execute in the same physical Qwen3-8B batches with zero observed output or objective deviation.

We propose to improve in-context learning (ICL) by optimizing the continuous embeddings of a fixed few-shot prompt at test time. The key observation is that the log-probabilities a model assigns to its demonstrated outputs$\unicode{x2013}$available from a single forward pass without generating any tokens$\unicode{x2013}$provide a meaningful signal for how well the model has inferred the task from its demonstrations. We formalize this signal as a bounded, self-supervised confidence proxy and maximize it via zeroth-order optimization over the prompt embeddings, yielding a test-time calibration procedure. The approach requires no finetuning, no token generation, no predefined label set, and no external data, making it equally applicable to both classification and free-form generation tasks. Across a comprehensive suite of ICL tasks, the proposed calibration consistently matches or improves upon the base model and outperforms classification-specific baselines on most tasks. The statistically significant correlation between proxy improvement and downstream accuracy gain confirms that the proposed proxy encodes a reliable optimization signal for in-context learning.

Zeroth-order (ZO) optimization enables large-language-model fine-tuning without storing backpropagation activations, while LoRA supplies compact trainable adapters. Combining them creates a rank paradox: increasing LoRA rank improves adapter capacity, but standard two-point ZO either perturbs a rank-dependent number of coordinates or, under atomwise updates, can make the finite-difference signal unobservable. This paper shows that the bottleneck is a measurement-topology problem rather than a need for an external subspace. LoRA already decomposes into matched rank-$1$ atoms, each a complete factor-coordinate block of dimension $d_\text{out}+d_\text{in}$. Querying one atom per step keeps the stored adapter rank $r$ while removing $r$ from the single-query perturbation dimension. The naive atomwise query is still miscalibrated: if it inherits canonical LoRA scaling $α/r$, the active finite-difference signal shrinks as $1/r$ and the active finite-difference signal-to-noise ratio (FD-SNR) as $1/r^2$, producing directional collapse under a fixed residual evaluation-noise floor. AR1-ZO pairs alternating rank-$1$ atom queries with topology-aware scaling $γ=αr$, restoring rank-invariant active signal without auxiliary bases, activation hooks, curvature estimates, or extra forward queries. Theory proves atom minimality, rank-independent active query dimension, directional collapse and restoration, and the remaining rank dependence as an amortized coverage cost. Experiments on OPT and Qwen3 models validate the signal mechanism and show that AR1-ZO makes high-rank LoRA effective among matched-budget ZO methods under the standard two-forward-pass query budget.

Constrained machine learning enables fairness-aware training, physics-informed neural networks, and integration of symbolic domain knowledge into statistical models. Despite its practical importance, no general method exists for the non-convex, non-smooth, stochastic setting that arises naturally in deep learning. We propose the Stochastic Penalty-Barrier Method (SPBM), which extends classical penalty and barrier methods to this setting via exponential dual averaging, a stabilized penalty schedule, and the Moreau envelope to handle non-smoothness. Experiments across multiple settings show that SPBM matches or outperforms existing constrained optimization baselines while incurring only linear runtime overhead compared to unconstrained Adam for up to 10,000 constraints.

Hard-thresholding is an important type of algorithm in machine learning that is used to solve $\ell_0$ constrained optimization problems. However, the true gradient of the objective function can be difficult to access in certain scenarios, which normally can be approximated by zeroth-order (ZO) methods. The SZOHT algorithm is the only algorithm tackling $\ell_0$ sparsity constraints with ZO gradients so far. Unfortunately, SZOHT has a notable limitation on the number of random directions % in ZO gradients due to the inherent conflict between the deviation of ZO gradients and the expansivity of the hard-thresholding operator. This paper approaches this problem by considering the role of variance and provides a new insight into variance reduction: mitigating the unique conflicts between ZO gradients and hard-thresholding. Under this perspective, we propose a generalized variance reduced ZO hard-thresholding algorithm as well as the generalized convergence analysis under standard assumptions. The theoretical results demonstrate the new algorithm eliminates the restrictions on the number of random directions, leading to improved convergence rates and broader applicability compared with SZOHT. Finally, we illustrate the utility of our method on a ridge regression problem as well as black-box adversarial attacks.

Second-order methods offer an attractive path toward more sample-efficient LLM training, but their practical use is often blocked by the systems cost of maintaining and updating large matrix-based optimizer states. We introduce \textbf{Asteria}, a runtime system designed to remove this bottleneck by separating second-order optimization logic from the critical GPU training path. Rather than keeping all preconditioner state on the accelerator, Asteria dynamically distributes optimizer state across GPU memory, CPU memory, and optional NVMe storage according to architectural constraints and runtime pressure. It further uses training hooks to prepare shadow states in advance, allowing expensive inverse-root computations to proceed asynchronously on the host while GPU computation continues. For distributed training, Asteria employs a bounded-staleness protocol that limits synchronization frequency while preserving optimizer effectiveness through topology-aware coordination. We evaluate Asteria on both memory-constrained and distributed training settings. On a DGX Spark platform with a single GB10 GPU and 128GB unified memory, Asteria supports second-order training for a 1B-parameter language model. On multi-node GH200 systems, it lowers visible optimizer overhead, reduces recurring latency spikes, accelerates convergence in wall-clock time, and maintains the optimization advantages of SOAP and KL-Shampoo in a 7B-parameter language model. Our results suggest that second-order LLM training can be made practical not by simplifying the optimizer alone, but by rethinking how optimizer state, background computation, and distributed synchronization are managed at the runtime level.

Autoregressive next-token training offers a unified formulation for image generation and text understanding, but it also creates strong modality competition that destabilizes optimization and limits large-batch scaling. We show that first-order optimizers such as AdamW are vulnerable to cross-modality gradient heterogeneity, while second-order preconditioning, particularly SOAP, provides a more stable basis for multimodal alignment. Building on this insight, we propose \emph{ML-FOP-SOAP}, a second-order optimization framework with Multi-Level Variance Correction. Our Fisher-Orthogonal Projection suppresses variance-induced modality conflicts, reducing the trade-off between visual generation and textual understanding. To make this practical under large gradient accumulation, we introduce a hierarchical folding strategy that captures fine-grained variance with low micro-step overhead. Experiments on Janus and Emu3 show consistent gains across both modalities and stable training at batch size 8192. Compared with AdamW, our method improves sample efficiency by up to $1.4\times$ and accelerates wall-clock training by up to $1.5\times$, offering a robust optimizer for scaling multimodal foundation models.

We study a networked multi-agent reinforcement learning (NMARL) problem with human feedback in an infinite-horizon setting, where agents interact over an underlying network with localized state dependencies and aim to collaboratively maximize the average discounted return. Existing approaches with preference feedback are primarily developed for single-agent settings and rely on centralized training, which limits their scalability and applicability to large-scale networked multi-agent systems. To address this, we introduce a novel human feedback mechanism based on spatiotemporally truncated trajectories, defined as $H$-horizon trajectory pairs aggregated over each agent's $κ$-hop neighborhood. Building on this, we develop a distributed zeroth-order policy gradient algorithm, where each agent estimates its local policy gradient using human preference feedback generated from both the current joint policy and a perturbed joint policy drawn from zero-mean Gaussian distribution. Specifically, the algorithm is fully distributed, as the feedback received by each agent depends solely on the state-action information within its $κ$-hop neighborhood and does not require explicit reward signals or centralized control. We further rigorously establish that the proposed algorithm converges to an $ε$-stationary point with polynomial sample complexity. Finally, simulation results in a stochastic GridWorld environment and a predator-prey environment further demonstrate that the effectiveness and scalability of the proposed algorithm in achieving collaborative optimization based solely on human preference feedback.

Zeroth-order (ZO) optimization, learning from finite differences of function evaluations without backpropagation, has recently regained attention in deep learning due to its memory efficiency and applicability to gray- or black-box pipelines. Yet, ZO methods are often dismissed as fundamentally unscalable because of estimator variance and unfavorable query complexity. We argue that this conclusion might be misguided: ZO optimization is underexplored, not underpowered. We show that many perceived limitations stem from myopic development practices, most notably full-space, element-wise, estimator-centric designs. We articulate six positions spanning the algorithmic, systems, and evaluation stack. First, we revisit the feasibility boundaries of estimator-centric ZO methods through variance control, variance-query tradeoffs, and directional-derivative lenses. Then, we identify three underexplored opportunities: (i) subspace and spectral views of ZO that enable interpretable variance reduction with graceful query scaling, (ii) the forward-only nature of ZO as a systems advantage for communication-efficient, pipeline-friendly, and resource-constrained training, and (iii) the need to de-obfuscate ZO evaluations from task complexity. We strongly advocate rethinking ZO optimization around its unique strengths and acting accordingly, opening a viable path toward large-scale, system-aware, and resource-efficient learning with ZO optimization.

Stochastic compositional optimization minimizes objectives of the form $\min_{\bm{x} \in \mathcal{X}} F(\bm{f}(\bm{x}), \bm{x})$, where $\bm{f}$ is accessible only through noisy stochastic queries. Existing methods for this problem assume that the outer function $F$ is continuously differentiable, which excludes many practically important applications such as robust max-of-losses, Conditional Value-at-Risk, and norm regularizers. We propose the Hybrid Momentum Stochastic Frank--Wolfe algorithm, which drops the smoothness assumption on $F$. By combining a momentum-based Jacobian tracker with a Taylor-corrected function tracker, the algorithm feeds an entire stochastic linearization -- rather than a single gradient -- into a generalized linear minimization oracle. We establish an $\mathcal{O}(K^{-1/4})$ convergence rate in the generalized Frank--Wolfe gap for non-convex objectives with $L_F$-Lipschitz outer functions, matching the optimal complexity for projection-free single-sample stochastic methods under expected smoothness. The analysis extends to heavy-tailed noise oracles with bounded $r$-th moments for $r \in (1, 2]$ and recovers the deterministic rates of Vladarean et al (2023) as the noise vanishes.

Zeroth-Order (ZO) optimization is pivotal for scenarios where backpropagation is unavailable, such as memory-constrained on-device learning and black-box optimization. However, existing methods face a stark trade-off: they are either sample-inefficient (e.g., standard finite differences) or suffer from high variance due to randomized estimation (e.g., random subspace methods). In this work, we propose Coherent Coordinate Descent (CoCD), a deterministic, sample-efficient, and budget-aware ZO optimizer. Theoretically, we formalize the notion of gradient coherence and demonstrate that CoCD is equivalent to Block Cyclic Coordinate Descent (BCCD) with ``warm starts,'' effectively converting historical (stale) gradients from a liability into a computational asset. This mechanism enables $O(1)$ query complexity per step while maintaining global descent directions. Furthermore, we derive error bounds revealing a counter-intuitive insight: larger finite-difference step sizes can induce an implicit smoothing effect on the optimization landscape by reducing the effective smoothness constant, thereby improving convergence stability. Experiments on MLP, CNN, and ResNet architectures (up to 270k parameters) demonstrate that CoCD significantly outperforms BCCD in terms of sample efficiency and convergence loss/accuracy, and exhibits superior stability over randomized ZO methods. Our results suggest that deterministic, structure-aware updates offer a superior alternative to randomization for lightweight ZO optimization.

Existing reward alignment methods for diffusion and flow models rely on multi-step stochastic trajectories, making them difficult to extend to deterministic generators. A natural alternative is noise-space optimization, but existing approaches require backpropagation through the generator and reward pipeline, limiting applicability to differentiable settings. To address this, here we present ZeNO (Zeroth-order Noise Optimization), a gradient-free framework that formulates noise optimization as a path-integral control problem, estimable from zeroth-order reward evaluations alone. When instantiated with an Ornstein--Uhlenbeck reference process, the update connects to Langevin dynamics implicitly targeting a reward-tilted distribution. ZeNO enables effective inference-time scaling and demonstrates strong performance across diverse generators and reward functions, including a protein structure generation task where backpropagation is infeasible.

Low-bit forward evaluation is an attractive route to memory-efficient zeroth-order (ZO) adaptation: the optimizer needs only scalar losses, and the model can be queried near deployment precision. The obstacle is that a quantized ZO query is not a continuous finite difference followed by harmless storage rounding. The query chooses endpoints, the low-precision engine rounds them, and the loss difference is measured along the rounded chord. For nonuniform companding quantizers, this makes the codebook insufficient to predict ZO behavior: a fixed weight-space radius can collapse in dense cells, over-span sparse cells, or assign a rounded chord to an unrounded update direction. We identify the missing object as query geometry and model scalar nonuniform quantization as $Q = φ^{-1} \circ U \circ φ$. CAQ-ZO (Compander-Aligned Queries for Zeroth-Order Optimization) forms one-grid-step Rademacher stencils $z \pm Δr$ in $z = φ(x)$, maps endpoints back through $φ^{-1}$, and updates in $z$. Our theory proves the grid-span mismatch, decomposes endpoint-rounding estimator residuals, and gives stationarity bounds in which generic off-grid queries retain a $Δ^2/μ^2$ residual channel while CAQ-ZO makes the query-time residual exactly zero. Synthetic experiments isolate this channel, and matched NF4 Qwen/Llama fine-tuning shows that CAQ-ZO improves the trained NF4 baseline under the same quantizer and evaluation budget.

Continual learning requires new-task adaptation without damaging previously acquired capabilities. Recent forward-pass and zeroth-order (ZO) results show that low-query adaptation may retain better than first-order (FO) descent, but the usual view of ZO as noisy FO estimation does not explain why. We give a local randomized gradient-shaping analysis: finite differences expose a raw shape that is mean-aligned with FO, while the norm-matched comparator fixes the expected squared adaptation norm. Under this controlled comparison, forgetting depends on how the adaptation shape exposes retention curvature. For norm-matched ZO, the expected shaped retention curvature obeys an exact identity that preserves the isotropic retention floor while contracting only the anisotropic component. Projecting this identity onto the incoming gradient yields the observable FO--ZO quadratic forgetting gap: ZO improves mean forgetting precisely when the FO direction has above-average retention curvature, by a query-dependent fraction of that curvature excess. A practical finite-query accounting separates the mean mechanism from one-batch sampling and smoothing perturbations. As an algorithmic transfer, RISE applies the calibrated ZO shape to exact FO gradients inside parameter blocks. Its target is a stability--plasticity tradeoff: randomized shaping may reduce the retention exposure paid by FO, exact gradients remove finite-smoothing bias from finite-difference ZO, and blockwise sampling supplies many local shaping directions after one gradient computation. The blockwise analysis separates mean-step damage from centered random exposure, showing how block-diagonal curvature, cross-block coupling, and local shaping diagnostics specify where this exact-gradient transfer is most likely to be visible.

We propose FAR-SIGN (Fully Asynchronous Robust optimization via SIGNed directional projections) for adversary-resilient learning in parameter-server--worker systems. FAR-SIGN achieves robustness through sign-based updates along carefully designed directions and mitigates the resulting bias via a two-timescale mechanism. It admits both first-order and zeroth-order implementations and enables fully asynchronous execution without requiring a private reference dataset at the server. We establish almost-sure convergence of FAR-SIGN to the set of stationary points for smooth, nonconvex objectives. Moreover, we prove the near-optimal rate of $O(n^{-1/4+ε})$ in the first-order setting and the standard $O(n^{-1/6+ε})$ in the zeroth-order setting, where $n$ is the iteration count and $ε>0$ can be chosen arbitrarily small. Experiments on MNIST show that FAR-SIGN outperforms robust aggregation-based methods in both accuracy and wall-clock time.

Zeroth-order (ZO) optimization has become increasingly popular and important in fine-tuning large language models (LLMs), especially on edge devices due to its ability to adjust the model to local data without the need for memory-intensive back-propagation. Recent works try to reduce ZO variance through low-dimensional subspace search, but subspace restriction alone leaves key optimization geometry under-exploited, motivating additional acceleration. In this work, we focus on the hidden layer training problem in which spectral optimizers like Muon outperform AdamW due to its ability to exploit weak spectral directions by orthogonalization. However, we have discovered that unlike in the first-order setting, full orthogonalization works poorly in the ZO setting since the gradient estimates are highly noisy and unreliable. To address this issue, we propose applying partial spectral orthogonalization to accelerate ZO optimization. To do so, we replace the iconic Newton-Schulz procedure in Muon with the faster, more concentrated power-iteration method so that it only amplifies dominant spectral directions. Furthermore, to improve the efficiency and generalization of the algorithm, we adopted a streaming variant of power-iteration that requires low variance in gradients, which was achieved through constraining our search inside a subspace obtained through the projection of momentum, echoing recent advances. Experiments on LLM fine-tuning show that our method can achieve from 1.5x to 4x the convergence speed of ZO-Muon, the current SOTA algorithm, across SuperGlue datasets in the OPT-13B model. Across different models, we also reach competitive final accuracies with less time in most cases compared with strong ZO baselines such as MeZO, LOZO and ZO-Muon. Code is available at https://github.com/MOFA-LAB/ZO-MOPI.git.

We consider a first order stochastic optimization framework where, at each iteration, $K$ independent identically distributed (i.i.d.) data point samples are drawn, based on which stochastic gradients can be queried. We allow gradient noise to be heavy-tailed, with possibly infinite variances. For the considered heavy-tailed setting, many algorithmic variants have recently been proposed based on gradient clipping or other nonlinear operators (e.g., normalization) applied over noisy gradients. In this paper, we take an alternative approach and propose a novel stochastic first order method dubbed Robust Stochastic Gradient Descent with medoid mini-batch gradient sampling, R-SGD-Mini for short. The core idea of R-SGD-Mini is to split the $K$-sized data batch into $M$ distinct data chunks, form for each chunk the stochastic gradient, and update the solution estimate with respect to the stochastic gradient direction of the chunk that is medoid of gradients of all data-chunks. Under a general class of symmetric heavy-tailed gradient noises and a standard non-convex setting, we establish explicit bounds on the expected time-averaged squared gradient norm. More precisely, we show that the latter quantity converges at rate $\mathcal{O}(T^{-1})$ to a small neighborhood of zero; we explicitly characterize this neighborhood in terms of noise and algorithm's parameters. Moreover, if the time horizon is known in advance, we establish the rate of $\mathcal{O}(T^{-\frac{1}{2}}).$ Furthermore, when clipping is incorporated, we obtain convergence guaranties in the high-probability sense and recover the same rate. Experimental results indicate that R-SGD-Mini and its clipped variant consistently perform favorably compared to SGD, clipped SGD and Median-of-Means based methods.

We present an accelerated relax-and-round algorithm for concave coverage problems, which generalize the classic maximum coverage problem. Building on the relax-and-round framework of Barman et al. [STACS 2021], we propose two significant improvements. First, we replace the linear programming (LP) relaxation step with a projected accelerated gradient method applied to a smooth surrogate objective to achieve a $\widetilde{O}(mn \varepsilon^{-1})$ running time. Second, we use a specialized rounding scheme for the hypersimplex that combines the Carathéodory decomposition algorithm in Karalias et al. [NeurIPS 2025] with randomized swap rounding of Chekuri et al. [FOCS 2010]. We prove tight approximation ratios for new reward functions, including a $0.827$-approximation for the logarithmic reward $\varphi(x) = \log(1 + x)$. Finally, we conduct maximum multi-coverage experiments on synthetic and real-world graphs, demonstrating that our algorithm outperforms approaches that use state-of-the-art LP solvers.

Most first-order optimizers treat matrix-valued parameters as vectors, ignoring the intrinsic geometry of hidden-layer weights in neural networks. Muon addresses this mismatch by updating along the polar factor of a momentum matrix, but its theoretical understanding has lagged behind practice. In particular, practical implementations incorporate Nesterov momentum, compute the polar factor only approximately, and operate with stochastic gradients that may be heavy-tailed. We close this gap by developing a convergence theory for Muon with Nesterov momentum and inexact polar decomposition in non-convex matrix optimization under heavy-tailed noise. Our analysis builds on a unified framework for inexact polar decomposition that captures practical iterative approximations such as Newton-Schulz and quantifies how their errors propagate through the optimization dynamics. Under this framework, we establish an optimal iteration and sample complexity of $O \left(\varepsilon^{\frac{-(3α-2)}{(α-1)}} \right)$ for finding an $\varepsilon$-stationary point, where $α\in(1,2]$ denotes the heavy-tail index. For the inexact-polar setting with $σ_1=0$, we also provide guarantees that do not require prior knowledge of $α$. We analyze a randomized low-rank polar decomposition that is substantially more efficient than full-space methods while remaining compatible with our theory. Numerical experiments further demonstrate the effectiveness of the proposed inexact and randomized variants.

We introduce PACZero, a family of PAC-private zeroth-order mechanisms for fine-tuning large language models that delivers usable utility at $I(S^*; Y_{1:T})=0$. This privacy regime bounds the membership-inference attack (MIA) posterior success rate at the prior, an MIA-resistance level the DP framework matches only at $\varepsilon=0$ and infinite noise. All DP-ZO comparisons below are matched at the MIA posterior level. The key insight is that PAC Privacy charges mutual information only when the release depends on which candidate subset is the secret. Sign-quantizing subset-aggregated zeroth-order gradients creates frequent unanimity, steps at which every candidate subset agrees on the update direction; at these steps the released sign costs zero conditional mutual information. We propose two variants that span the privacy-utility trade-off: PACZero-MI (budgeted MI via exact calibration on the binary release) and PACZero-ZPL ($I=0$ via a uniform coin flip on disagreement steps). We evaluate on SST-2 and SQuAD with OPT-1.3B and OPT-6.7B in both LoRA and full-parameter tracks. On SST-2 OPT-1.3B full fine-tuning at $I=0$, PACZero-ZPL reaches ${88.99\pm0.91}$, within $2.1$pp of the non-private MeZO baseline ($91.1$ FT). No prior method produces usable utility in the high-privacy regime $\varepsilon<1$, and PACZero-ZPL obtains competitive SST-2 accuracy and nontrivial SQuAD F1 across OPT-1.3B and OPT-6.7B at $I=0$.

Domain shift remains a key challenge in deploying machine learning models to the real world. Unsupervised domain adaptation (UDA) aims to address this by minimising domain discrepancy during training, but the discrepancy estimates suffer from high variance in stochastic settings, which can stifle the theoretical benefits of the method. This paper proposes Optimal Reordering of Data for Error-Reduced Estimation of Discrepancy (ORDERED), a novel unbiased stochastic variance reduction technique which reduces the discrepancy estimation error by optimising the order in which the training data are sampled. We consider two specific domain discrepancy losses (correlation alignment and the maximum mean discrepancy), formulate their stochastic estimation error as a function of the data sampling order, and propose a practical optimisation algorithm. Our simulations demonstrate reduced variance compared to related methods, and experiments on two domain shift image classification benchmarks show improved target domain accuracy.

We investigate the effectiveness of adaptive zeroth-order (ZO) optimization for memory-constrained fine-tuning of large language models (LLMs). Contrary to prior claims, we show that adaptive ZO methods such as ZO-Adam offer no convergence advantage over well-tuned ZO-SGD, while incurring significant memory overhead. Our analysis reveals that in high dimensions, ZO gradients lack coordinate-wise heterogeneity, rendering adaptive mechanisms memory inefficient. Leveraging this insight, we propose MEAZO, a memory-efficient adaptive ZO optimizer that tracks only a single scalar for global step size adaptation. We support our method with theoretical convergence guarantees under standard assumptions. Experiments across multiple LLM families and tasks demonstrate that MEAZO matches ZO-Adam's performance with the memory footprint of ZO-SGD. Additional experiments on synthetic quadratic problems and LLM fine-tuning further demonstrate MEAZO's enhanced robustness to step size choices, particularly in grouped or block-structured optimization settings.

Classical optimization theory establishes that zeroth-order (ZO) algorithms suffer from a dimension-dependent slowdown, with convergence rates typically scaling with the model dimension compared to first-order methods. However, in contrast to these theoretical expectations, a growing body of recent work demonstrates the successful application of ZO methods to fine-tuning Large Language Models (LLMs) with billions of parameters. To explain this paradox, we derive the one-step learning dynamics of ZO SGD, where the empirical Neural Tangent Kernel (eNTK) naturally emerges as the key term governing the learning behavior. Inspection of the eNTK produced by ZO SGD reveals that each element corresponds to the inner product of neural tangent vectors projected onto a random low-dimensional subspace. Thus, by invoking the Johnson-Lindenstrauss Lemma, our analysis shows that the fidelity of the ZO eNTK is governed primarily by the number of perturbations. Crucially, the approximation error depends on the model output size rather than the massive parameter dimension. This dimension-free property provides a theoretical justification for the scalability of ZO methods to LLMs finetuning tasks. We believe that this kernel-based framework offers a novel perspective for understanding ZO methods within the context of learning dynamics.

We introduce PF-AGD, the first parameter-free, deterministic, accelerated first-order method to achieve $O(ε^{-5/3}\log(1/ε))$ oracle complexity bound when minimizing sufficiently smooth, non-convex functions; this is the best-known bound for first-order methods on smooth non-convex objectives. Unlike existing methods possessing this rate that require a priori knowledge of smoothness constants, we use an adaptive backtracking scheme and a gradient-based restart mechanism to estimate local curvature. This yields a practical algorithm that matches best-known theoretical rates. Empirically, PF-AGD outperforms the practical variant of AGD-Until-Guilty (Carmon et al., 2017), as well as other parameter-free variants, and is a viable alternative to nonlinear conjugate gradient methods.

Fine-tuning LLMs is necessary for various dedicated downstream tasks, but classic backpropagation-based fine-tuning methods require substantial GPU memory. To this end, a recent work, MeZO, which relies solely on forward passes to fine-tune LLMs, significantly reduces GPU requirements at the cost of slower convergence due to its indifference to loss landscapes. Standard solutions, such as Adam, explore loss landscapes by estimating the first- and second-order moments and storing them in memory to guide the model's movement through dimensions with lower curvature and vice versa. However, directly applying Adam negates MeZO's advantage as it will triple the memory requirement. In light of this, we propose AdaMeZO, a zeroth-order optimizer that leverages Adam-style first- and second-moment estimates without maintaining them in memory. We present a theoretical analysis of AdaMeZO, corroborated by extensive experiments demonstrating AdaMeZO's performance, showing that AdaMeZO can outperform MeZO while requiring up to $70\%$ fewer forward passes. Trajectory visualizations affirm AdaMeZO's ability to adapt to diverse loss landscapes.

While it is generally understood that zeroth-order (ZO) algorithms have an extra dependency on their number of iterations for any choice of parameters, compared to their first-order (FO) counterparts, in this work, we show that under several conditions, in expectation, ZO methods do not suffer from extra dimension dependencies in their convergence rates with respect to their FO counterparts. We look at optimisation algorithms from the dynamical systems perspective and analyse the conditions under which one can formulate the average of a ZO algorithm as the average of its FO counterpart with bounded perturbations with values dependent on design parameters. Then, using input-to-state stability properties, we show ZO methods follow the same decay rate as their FO counterparts and converge to a neighbourhood of the fixed point of FO methods, where its radius depends on the bound of the norm of the perturbations, which can be made arbitrarily small. The theoretical findings are illustrated via numerical examples.

Reliable decision-making with streaming data requires principled uncertainty quantification of online methods. While first-order methods enable efficient iterate updates, their inference procedures still require updating proper (covariance) matrices, incurring $O(d^2)$ time and memory complexity, and are sensitive to ill-conditioning and noise heterogeneity of the problem. This costly inference task offers an opportunity for more robust second-order methods, which are, however, bottlenecked by solving Newton systems with $O(d^3)$ complexity. In this paper, we address this gap by studying an online Newton method with Hessian averaging, where the Newton direction at each step is approximately computed using a sketch-and-project solver with Nesterov's acceleration, matching $O(d^2)$ complexity of first-order methods. For the proposed method, we quantify its uncertainty arising from both random data and randomized computation. Under standard smoothness and moment conditions, we establish global almost-sure convergence, prove asymptotic normality of the last iterate with a limiting covariance characterized by a Lyapunov equation, and develop a fully online covariance estimator with non-asymptotic convergence guarantees. We also connect the resulting uncertainty quantification to that of exact and sketched Newton methods without Nesterov's acceleration. Extensive experiments on regression models demonstrate the superiority of the proposed method for online inference.

We argue that current definitions of machine unlearning are underspecified for second-order optimizers. We compare first-order and second-order learners for their ability to handle the data deletion task with varying degrees of eigendecomposition to mimic the loss model memory. While both first and second-order methods realign with the ideal counterfactul in terms of performance and gradient, the second-order optimizer shows significant volatility in the optimizer state. This indicates residual information, supposedly deleted, that isn't detectable by first-order analysis. Various eigendecay treatments show that stability and information loss is regained only under controlled state pertubation where geometric information (or memory) is erased.

Vision Mamba, as a state space model (SSM), employs a zero-order hold (ZOH) discretization, which assumes that input signals remain constant between sampling instants. This assumption degrades temporal fidelity in dynamic visual environments and constrains the attainable accuracy of modern SSM-based vision models. In this paper, we present a systematic and controlled comparison of six discretization schemes instantiated within the Vision Mamba framework: ZOH, first-order hold (FOH), bilinear/Tustin transform (BIL), polynomial interpolation (POL), higher-order hold (HOH), and the fourth-order Runge-Kutta method (RK4). We evaluate each method on standard visual benchmarks to quantify its influence in image classification, semantic segmentation, and object detection. Our results demonstrate that POL and HOH yield the largest gains in accuracy at the cost of higher training-time computation. In contrast, the BIL provides consistent improvements over ZOH with modest additional overhead, offering the most favorable trade-off between precision and efficiency. These findings elucidate the pivotal role of discretization in SSM-based vision architectures and furnish empirically grounded justification for adopting BIL as the default discretization baseline for state-of-the-art SSM models.

Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.

Zeroth-Order optimization presents a promising memory-efficient paradigm for fine-tuning Large Language Models by relying solely on forward passes. However, its practical adoption is severely constrained by slow wall-clock convergence and high estimation variance. In this work, we dissect the runtime characteristics of ZO algorithms and identify a critical system bottleneck where the generation of perturbations and parameter updates accounts for over 40% of the training latency. We argue that the standard uniform exploration strategy is fundamentally flawed as it fails to account for the heterogeneous sensitivity of layers in deep networks, resulting in computationally wasteful blind searches. To address this structural mismatch, we propose AdaLeZO, an Adaptive Layer-wise ZO optimization framework. By formulating the layer selection process as a non-stationary Multi-Armed Bandit problem, AdaLeZO dynamically allocates the limited perturbation budget to the most sensitive parameters. We further introduce an Inverse Probability Weighting mechanism based on sampling with replacement, which guarantees unbiased gradient estimation while effectively acting as a temporal denoiser to reduce variance. Extensive experiments on LLaMA and OPT models ranging from 6.7B to 30B parameters demonstrate that AdaLeZO achieves 1.7x to 3.0x wall-clock acceleration compared to state-of-the-art methods. Crucially, AdaLeZO functions as a universal plug-and-play module that seamlessly enhances the efficiency of existing ZO optimizers without incurring additional memory overhead.