The deployment of large, black-box foundation models for medical image classification is often hindered by the high cost of acquiring large, task-specific labeled datasets for fine-tuning. While active learning (AL) presents a promising solution, many state-of-the-art AL methods are computationally expensive or require full access to internal model parameters. We present VALIANT (Visual Adaptation and Learning Integration for Active learNing Tasks), a new active learning framework designed to efficiently adapt black-box foundation models by overcoming these limitations. VALIANT introduces a lightweight Visual Prompt Decoder (VIPD), trained via unsupervised Zero-Order Optimization (ZOO), to generate task-specific visual prompts without internal model access. Our core contribution is a perturbation-based ranking strategy that leverages this VIPD to formulate a computationally efficient, gradient-aware informativeness metric. This metric, which we term prompt instability, identifies the most impactful samples for the labeling budget. VALIANT further enhances this process by incorporating anatomical information from unsupervised segmentation maps to generate more discriminative visual prompts. Extensive evaluations on multiple medical datasets demonstrate VALIANT’s superior performance and significant reduction in labeling costs compared to a range of existing active learning techniques, positioning it as a scalable and practical solution for medical image analysis.
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Optimization · Zero-order and Black-box Optimization
This paper deals with stochastic optimization problems involving Markovian noise with a zero-order oracle. We present and analyze a novel derivative-free method for solving such problems in strongly convex smooth and non-smooth settings with both one-point and two-point feedback oracles. Using a randomized batching scheme, we show that when mixing time $\tau$ of the underlying noise sequence is less than the dimension of the problem $d$, the convergence estimates of our method do not depend on $\tau$. This observation provides an efficient way to interact with Markovian stochasticity: instead of invoking the expensive first-order oracle, one should use the zero-order oracle. Finally, we complement our upper bounds with the corresponding lower bounds. This confirms the optimality of our results.
Optimization · Zero-order and Black-box Optimization
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 its performance, showing that it can outperform MeZO while requiring up to 70% fewer forward passes. Trajectory visualizations affirm AdaMeZO's ability to adapt to diverse loss landscapes.
Optimization · Zero-order and Black-box Optimization
Existing Meta-Black-Box Optimization (MetaBBO) methods focus on how to search when controlling optimizers, but largely overlook where to search. We propose MetaSG-SAEA, a bi-level MetaBBO framework for expensive constrained multi-objective optimization problems (ECMOPs), in which a meta-policy provides search guidance to the low-level Surrogate-Assisted Evolutionary Algorithm (SAEA). To achieve this, we introduce Max–Min Constraint-Calibrated Inequality (MM-CCI), a compact, problem-agnostic region abstraction that maps heterogeneous constraint evaluations to an ordered scalar level; we further provide a theoretical analysis of its fundamental properties. Building on this region abstraction, we adopt diffusion-based population initialization to translate the meta-policy’s region-level guidance into solution-level priors for the SAEA. To make MetaSG-SAEA scalable, we construct an attention-based state representation across varying problem dimensions, population sizes, and numbers of objectives and constraints. Experimental results demonstrate that MetaSG-SAEA outperforms state-of-the-art baselines across diverse benchmarks and exhibits the ability to generalize across problem distributions.
Optimization · Zero-order and Black-box Optimization
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.
Optimization · Zero-order and Black-box Optimization
Hyperparameter Optimization (HPO) can lift the burden of tuning hyperparameters (HPs) of neural networks. HPO algorithms from the Population Based Training (PBT) family are efficient thanks to dynamically adjusting HPs every few steps of the weight optimization. Recent results indicate that the number of steps between HP updates is an important meta-HP of all PBT variants that can substantially affect their performance. Yet, no method or intuition is available for efficiently setting its value. We introduce Iterated Population Based Training (IPBT), a novel PBT variant that automatically adjusts this HP via restarts that reuse weight information in a task-agnostic way and leverage time-varying Bayesian optimization to reinitialize HPs. Evaluation on 8 image classification and reinforcement learning tasks shows that, on average, our algorithm matches or outperforms 5 previous PBT variants and other HPO algorithms (random search, ASHA, SMAC3), without requiring a budget increase or any changes to its HPs.
Optimization · Zero-order and Black-box Optimization
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 and CNN architectures (up to 20k 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.
Optimization · Zero-order and Black-box Optimization
We study the problem of finding stationary points of non-convex functions when access to the objective is provided only through a comparison oracle that, given two points, outputs which has the larger function value. For a twice differentiable $f\colon\mathbb R^n\to\mathbb R$ with Lipschitz gradient and Hessian, we develop an algorithm that outputs an $\epsilon$-stationary point using $\widetilde O(n^2/\epsilon^{1.5})$ queries. Our approach uses a subroutine that estimates the normalized Hessian to accuracy $\delta$ using $\widetilde O(n^2\log(1/\delta))$ queries. We further study this problem with a quantum comparison oracle model where queries can be made in superpositions, and develop the first quantum algorithm that finds an $\epsilon$-stationary point, which takes $\widetilde O(n/\epsilon^{1.5})$ queries.
Optimization · Zero-order and Black-box Optimization
Bayesian optimization (BO) has traditionally solved black-box problems where function evaluation is expensive and, therefore, observations are few. Recently, however, there has been growing interest in applying BO to problems where function evaluation is cheaper and observations are more plentiful. In this regime, scaling to many observations $N$ is impeded by Gaussian-process (GP) surrogates: GP hyperparameter fitting scales as $\mathcal{O}(N^3)$ (reduced to roughly $\mathcal{O}(N^2)$ in modern implementations), and it is repeated at every BO iteration. Many methods improve scaling at acquisition time, but hyperparameter fitting still scales poorly, making it the bottleneck. We propose Epistemic Nearest Neighbors (ENN), a lightweight alternative to GPs that estimates function values and uncertainty (epistemic and aleatoric) from $K$-nearest-neighbor observations. ENN scales as $\mathcal{O}(N)$ for both fitting and acquisition. Our BO method, TuRBO-ENN, replaces the GP surrogate in TuRBO with ENN and its Thompson-sampling acquisition with $\mathrm{UCB} = \mu(x) + \sigma(x)$. For the special case of noise-free problems, we can omit fitting altogether by replacing $\mathrm{UCB}$ with a non-dominated sort over $\mu(x)$ and $\sigma(x)$. We show empirically that TuRBO-ENN reduces proposal time (i.e., fitting time + acquisition time) by one to two orders of magnitude compared to TuRBO at up to 50,000 observations.
Optimization · Zero-order and Black-box Optimization
Fine-tuning large language models (LLMs) with backpropagation achieves high performance but incurs substantial memory overhead, limiting scalability on resource-constrained hardware. Zeroth-order (ZO) optimization provides a memory-efficient alternative by relying solely on forward passes, yet it typically suffers from slow or unstable convergence due to high-variance gradient estimates. Sparse ZO updates partially address this issue by perturbing only a subset of parameters, but their effectiveness hinges on selecting informative parameters, which is challenging in ZO optimization because each query yields only scalar feedback. We propose Adaptive Curvature-Guided Sparse Zeroth-Order Optimization (CurvZO), which tracks curvature signals online from scalar ZO feedback and leverages these signals to construct a parameter-wise sampling distribution for selecting coordinates at each update, reducing the variance of the sparse ZO gradient estimator. Moreover, CurvZO dynamically adapts the perturbation budget to the evolving curvature signal distribution, yielding sparse ZO updates that remain both focused and sufficiently exploratory. Extensive experiments on OPT and Llama across diverse NLP tasks show that CurvZO consistently improves fine-tuning performance and reduces training time over ZO baselines. It improves accuracy by up to 4.4 points and achieves up to a $2\times$ speedup, while preserving memory efficiency.
Optimization · Zero-order and Black-box Optimization
Zeroth-order optimization is widely used when gradients are unavailable, but the standard two-point estimator suffers from $\mathcal{O}(r^2)$ truncation bias at smoothing radius $r$. Existing bias-reduction schemes typically increase the leading directional variance under a fixed number of function evaluations per gradient estimate, while variance-reduction schemes generally do not improve the bias order. We propose Romberg-ZOGE, which forms a Romberg-extrapolated linear combination of two-point differences evaluated at radii $\{r/2^k\}_{k=0}^R$ while reusing the same perturbation direction across all radii. With appropriately chosen weights, Romberg-ZOGE cancels the first $R$ even-order truncation terms and achieves $\mathcal{O}(r^{2R+2})$ bias under $(2R{+}2)$-order smoothness, while preserving the leading directional variance constant of the two-point estimator up to higher-order residual terms. We further characterize the stochastic-oracle setting by deriving an explicit noise-amplification factor and corresponding bias and variance bounds. Experiments on synthetic benchmarks, simulator-based wireless optimization, and black-box prompt tuning of OPT-1.3B demonstrate faster and more stable zeroth-order SGD when the number of function evaluations per gradient estimate is fixed.
Optimization · Zero-order and Black-box Optimization
We study gradient testing and gradient estimation of smooth functions using only a comparison oracle that, given two points, indicates which one has the larger function value. For any smooth $f\colon\mathbb R^n\to\mathbb R$, $\mathbf{x}\in\mathbb R^n$, and $\varepsilon>0$, we design a gradient testing algorithm that determines whether the normalized gradient $\nabla f(\mathbf{x})/||\nabla f(\mathbf{x})||$ is $\varepsilon$-close or $2\varepsilon$-far from a given unit vector $\mathbf{v}$ using $O(n)$ queries, as well as a gradient estimation algorithm that outputs an $\varepsilon$-estimate of $\nabla f(\mathbf{x})/||\nabla f(\mathbf{x})||$ using $O(n\log(1/\varepsilon))$ queries. We prove lower bounds establishing the optimality of both algorithms. Furthermore, we study these problems in the quantum comparison oracle model where queries can be made in superpositions, and develop quantum algorithms for gradient testing and gradient estimation using $O(1)$ and $O(\log (n/\varepsilon))$ queries, respectively.
Optimization · Zero-order and Black-box Optimization
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.
Optimization · Zero-order and Black-box Optimization
In this paper, we present an open-source pure-Python library called PyPop7 for black-box optimization (BBO). As population-based methods (e.g., evolutionary algorithms, swarm intelligence, and pattern search) become increasingly popular for BBO, the design goal of PyPop7 is to provide a unified API and elegant implementations for them, particularly in challenging high-dimensional scenarios. Since these population-based methods easily suffer from the notorious curse of dimensionality owing to random sampling as one of core operations for most of them, recently various improvements and enhancements have been proposed to alleviate this issue more or less mainly via exploiting possible problem structures: such as, decomposition of search distribution or space, low-memory approximation, low-rank metric learning, variance reduction, ensemble of random subspaces, model self-adaptation, and fitness smoothing. These novel sampling strategies could better exploit different problem structures in high-dimensional search space and therefore they often result in faster rates of convergence and/or better qualities of solution for large-scale BBO. Now PyPop7 has covered many of these important advances on a set of well-established BBO algorithm families and also provided an open-access interface to adding the latest or missed black-box optimizers for further functionality extensions. Its well-designed source code (under GPL-3.0 license) and full-fledged online documents (under CC-BY 4.0 license) have been freely available at https://github.com/Evolutionary-Intelligence/pypop and https://pypop.readthedocs.io, respectively.
Optimization · Zero-order and Black-box Optimization
Evolutionary multi-tasking accelerates black-box optimization via knowledge transfer but falters in scenarios involving many low-similarity tasks. We identify this scalability barrier as the *Multi-Task Curse*, driven by evaluation budget dispersion and negative transfer. To overcome this, we propose MES-RET (*M*any-task *E*volution *S*trategy with *R*eward-weighted *E*valuation and *T*ransfer), which combats budget dispersion via a reward-weighted evaluation scheme that guarantees superior expected improvement, while simultaneously mitigating negative transfer through a robust reward-weighted aggregation of mean and covariance statistics, ensuring a safe fallback to independent evolution. Furthermore, to handle neural dimensional mismatches in many-task policy search, we introduce a semantic parameter alignment strategy that bridges heterogeneous state-action spaces. Extensive experiments on synthetic benchmarks, real-world engineering problems, and reinforcement learning tasks demonstrate that MES-RET consistently outperforms state-of-the-art methods, notably enabling skill transfer across morphologically distinct policies.
Optimization · Zero-order and Black-box Optimization
Bayesian Optimization is widely used for expensive black-box optimization, yet its success often depends on choosing a kernel that matches the objective’s unknown structure. In this work, we propose ALAS, a flexible Gaussian Process kernel family built from symmetric $\alpha$-stable spectral components. By learning the stability parameter $\alpha$, ALAS adapts its effective smoothness from data, capturing both smooth trends and sharp irregularities. We present two parameterizations: ALAS, a single stationary component with joint spectral modulation, and ALAS-Sep, a separable variant that learns dimension-wise tail behavior to improve robustness on approximately decomposable objectives. Experiments on standard benchmarks and real-world surrogates demonstrate strong and robust performance across diverse settings.
Optimization · Zero-order and Black-box Optimization
Forward-mode automatic differentiation (FmAD) and zero-order (ZO) optimization are increasingly proposed as memory-efficient, backpropagation-free alternatives for large language model (LLM) fine-tuning, yet their benefits are typically evaluated only against standard backpropagation (BP), omitting memory-efficient variants such as activation checkpointing. We present a unified theoretical and empirical comparison of BP, checkpointed BP, FmAD, and ZO for LLM and vision-language model training, showing that while FmAD and ZO reduce activation memory, they trade memory for higher computational cost and longer wall-clock time to convergence, resulting in lower accuracy and slower training, especially under constrained perturbation budgets. Across models, BP with checkpointing outperforms FmAD and ZO variants, including variance-reduced methods, achieving up to 31.1% higher accuracy, 34.8% faster convergence, and 3.8$\times$ fewer computations at comparable memory usage, while also revealing instability-related failure modes in FmAD and ZO. Overall, our results correct a one-sided benchmarking narrative by showing that memory-efficient methods entail fundamentally different trade-offs, and that ignoring these distinctions has led to misleading conclusions about LLM optimization in prior work.
Optimization · Zero-order and Black-box Optimization
Evolution Strategies (ES) is a class of powerful black-box optimisation methods that are highly parallelisable and can handle non-differentiable and noisy objectives. However, naïve ES becomes prohibitively expensive at scale on GPUs due to the low arithmetic intensity of batched matrix multiplications with unstructured random perturbations. We introduce Evolution Guided GeneRal Optimisation via Low-rank Learning (EGGROLL), which improves arithmetic intensity by structuring individual perturbations as rank-$r$ matrices, resulting in a hundredfold increase in training speed for billion-parameter models at large population sizes, achieving up to 91\% of the throughput of pure batch inference. We provide a rigorous theoretical analysis of ES for high-dimensional parameter objectives, investigating conditions needed for ES updates to converge in high dimensions, revealing a linearising effect, and proving consistency between EGGROLL and ES as parameter dimension increases. Our experiments show that EGGROLL: (1) enables the stable pretraining of nonlinear recurrent language models that operate purely in integer datatypes, (2) is competitive with GRPO for post-training LLMs on reasoning tasks, and (3) does not compromise performance compared to ES in tabula rasa RL settings, despite being faster.
Optimization · Zero-order and Black-box Optimization
Fine-tuning Large Language Models (LLMs) with Low-Rank Adaptation (LoRA) offers a resource-efficient way to personalize or specialize. However, LoRA is highly sensitive to hyperparameter choices, and performing an exhaustive hyperparameter search remains computationally intensive. To address these challenges, we propose a framework that integrates the domain knowledge of pre-trained LLMs into the Bayesian Optimization (BO) process to efficiently search for LoRA hyperparameters. To leverage pre-trained LLMs' knowledge, our approach repurposes them as a discrete-to-continuous mapping module to link hyperparameters and their domain knowledge to a continuous vector space, where BO is conducted. We design and control the mapping via language prompting, providing a domain-aware textual prompt that describes the relationships among hyperparameters and their respective roles. This allows us to explicitly inject domain knowledge about LoRA into the LLM in natural language. We also introduce an additional learnable token to capture residual information that is difficult to describe linguistically in the prompt. This aids BO to sample more high-performing hyperparameters. In addition, by leveraging the strong correlation observed between the performance obtained from full and subset training datasets in LoRA training regimes, we introduce proxy training and evaluation using a data subset. This significantly improves the efficiency of our method. We demonstrate that our hyperparameter, discovered with only about 30 iterations, achieves more than 20% performance improvement over standard hyperparameters found from about 45,000 combinations. Code will be released.
Optimization · Zero-order and Black-box Optimization
Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically bifurcate into inverse methods, which struggle with the ill-posed nature of mapping scores to designs, and forward methods, which often lack the distributional expressivity to quantify uncertainty effectively. In this work, we propose \textbf{SPADE} (\textbf{S}upport-\textbf{P}roximity \textbf{A}ugmented \textbf{D}iffusion \textbf{E}stimation), a novel framework that reimagines forward surrogate modeling through the lens of conditional generative modeling. SPADE models the forward likelihood $p(y|\boldsymbol{x})$ using a diffusion model, but with two critical enhancements to tailor it for optimization: (1) a \emph{Calibrated Diffusion Estimation} module that enforces global consistency in statistical moments and pairwise rankings, and (2) a \emph{Support-Proximity Regularization} mechanism that implicitly internalizes the data manifold constraint $p(\boldsymbol{x})$ via kNN-based density estimation. Theoretically, we prove that our regularization is first-order equivalent to maximizing a Bayesian posterior with a valid design prior. Empirically, SPADE achieves state-of-the-art performance across Design-Bench tasks and an LLM data mixture optimization benchmark. Our code is available through the anonymous repo \href{https://anonymous.4open.science/r/diffsurr-icml2026-C4FD/}{here}.