Daily Papers

Consistent image generation requires faithfully preserving identities, styles, and logical coherence across multiple images, which is essential for applications such as storytelling and character design. Supervised training approaches struggle with this task due to the lack of large-scale datasets capturing visual consistency and the complexity of modeling human perceptual preferences. In this paper, we argue that reinforcement learning (RL) offers a promising alternative by enabling models to learn complex and subjective visual criteria in a data-free manner. To achieve this, we introduce PaCo-RL, a comprehensive framework that combines a specialized consistency reward model with an efficient RL algorithm. The first component, PaCo-Reward, is a pairwise consistency evaluator trained on a large-scale dataset constructed via automated sub-figure pairing. It evaluates consistency through a generative, autoregressive scoring mechanism enhanced by task-aware instructions and CoT reasons. The second component, PaCo-GRPO, leverages a novel resolution-decoupled optimization strategy to substantially reduce RL cost, alongside a log-tamed multi-reward aggregation mechanism that ensures balanced and stable reward optimization. Extensive experiments across the two representative subtasks show that PaCo-Reward significantly improves alignment with human perceptions of visual consistency, and PaCo-GRPO achieves state-of-the-art consistency performance with improved training efficiency and stability. Together, these results highlight the promise of PaCo-RL as a practical and scalable solution for consistent image generation. The project page is available at https://x-gengroup.github.io/HomePage_PaCo-RL/.

As language models become increasingly capable, users expect them to provide not only accurate responses but also behaviors aligned with diverse human preferences across a variety of scenarios. To achieve this, Reinforcement learning (RL) pipelines have begun incorporating multiple rewards, each capturing a distinct preference, to guide models toward these desired behaviors. However, recent work has defaulted to apply Group Relative Policy Optimization (GRPO) under multi-reward setting without examining its suitability. In this paper, we demonstrate that directly applying GRPO to normalize distinct rollout reward combinations causes them to collapse into identical advantage values, reducing the resolution of the training signal and resulting in suboptimal convergence and, in some cases, early training failure. We then introduce Group reward-Decoupled Normalization Policy Optimization (GDPO), a new policy optimization method to resolve these issues by decoupling the normalization of individual rewards, more faithfully preserving their relative differences and enabling more accurate multi-reward optimization, along with substantially improved training stability. We compare GDPO with GRPO across three tasks: tool calling, math reasoning, and coding reasoning, evaluating both correctness metrics (accuracy, bug ratio) and constraint adherence metrics (format, length). Across all settings, GDPO consistently outperforms GRPO, demonstrating its effectiveness and generalizability for multi-reward reinforcement learning optimization.

We present Deep Compression Autoencoder (DC-AE), a new family of autoencoder models for accelerating high-resolution diffusion models. Existing autoencoder models have demonstrated impressive results at a moderate spatial compression ratio (e.g., 8x), but fail to maintain satisfactory reconstruction accuracy for high spatial compression ratios (e.g., 64x). We address this challenge by introducing two key techniques: (1) Residual Autoencoding, where we design our models to learn residuals based on the space-to-channel transformed features to alleviate the optimization difficulty of high spatial-compression autoencoders; (2) Decoupled High-Resolution Adaptation, an efficient decoupled three-phases training strategy for mitigating the generalization penalty of high spatial-compression autoencoders. With these designs, we improve the autoencoder's spatial compression ratio up to 128 while maintaining the reconstruction quality. Applying our DC-AE to latent diffusion models, we achieve significant speedup without accuracy drop. For example, on ImageNet 512x512, our DC-AE provides 19.1x inference speedup and 17.9x training speedup on H100 GPU for UViT-H while achieving a better FID, compared with the widely used SD-VAE-f8 autoencoder. Our code is available at https://github.com/mit-han-lab/efficientvit.

Recently, reinforcement learning (RL) has been employed for improving generative image super-resolution (ISR) performance. However, the current efforts are focused on multi-step generative ISR, while one-step generative ISR remains underexplored due to its limited stochasticity. In addition, RL methods such as Direct Preference Optimization (DPO) require the generation of positive and negative sample pairs offline, leading to a limited number of samples, while Group Relative Policy Optimization (GRPO) only calculates the likelihood of the entire image, ignoring local details that are crucial for ISR. In this paper, we propose Group Direct Preference Optimization (GDPO), a novel approach to integrate RL into one-step generative ISR model training. First, we introduce a noise-aware one-step diffusion model that can generate diverse ISR outputs. To prevent performance degradation caused by noise injection, we introduce an unequal-timestep strategy to decouple the timestep of noise addition from that of diffusion. We then present the GDPO strategy, which integrates the principle of GRPO into DPO, to calculate the group-relative advantage of each online generated sample for model optimization. Meanwhile, an attribute-aware reward function is designed to dynamically evaluate the score of each sample based on its statistics of smooth and texture areas. Experiments demonstrate the effectiveness of GDPO in enhancing the performance of one-step generative ISR models. Code: https://github.com/Joyies/GDPO.

We present a new dataset condensation framework termed Squeeze, Recover and Relabel (SRe^2L) that decouples the bilevel optimization of model and synthetic data during training, to handle varying scales of datasets, model architectures and image resolutions for efficient dataset condensation. The proposed method demonstrates flexibility across diverse dataset scales and exhibits multiple advantages in terms of arbitrary resolutions of synthesized images, low training cost and memory consumption with high-resolution synthesis, and the ability to scale up to arbitrary evaluation network architectures. Extensive experiments are conducted on Tiny-ImageNet and full ImageNet-1K datasets. Under 50 IPC, our approach achieves the highest 42.5% and 60.8% validation accuracy on Tiny-ImageNet and ImageNet-1K, outperforming all previous state-of-the-art methods by margins of 14.5% and 32.9%, respectively. Our approach also surpasses MTT in terms of speed by approximately 52times (ConvNet-4) and 16times (ResNet-18) faster with less memory consumption of 11.6times and 6.4times during data synthesis. Our code and condensed datasets of 50, 200 IPC with 4K recovery budget are available at https://github.com/VILA-Lab/SRe2L.

We identity a by-far-unrecognized problem of Adam-style optimizers which results from unnecessary coupling between momentum and adaptivity. The coupling leads to instability and divergence when the momentum and adaptivity parameters are mismatched. In this work, we propose a method, Laprop, which decouples momentum and adaptivity in the Adam-style methods. We show that the decoupling leads to greater flexibility in the hyperparameters and allows for a straightforward interpolation between the signed gradient methods and the adaptive gradient methods. We experimentally show that Laprop has consistently improved speed and stability over Adam on a variety of tasks. We also bound the regret of Laprop on a convex problem and show that our bound differs from that of Adam by a key factor, which demonstrates its advantage.

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

This paper introduces bucket calculus, a novel mathematical framework that fundamentally transforms the computational complexity landscape of parallel machine scheduling optimization. We address the strongly NP-hard problem P2|r_j|C_{max} through an innovative adaptive temporal discretization methodology that achieves exponential complexity reduction from O(T^n) to O(B^n) where B ll T, while maintaining near-optimal solution quality. Our bucket-indexed mixed-integer linear programming (MILP) formulation exploits dimensional complexity heterogeneity through precision-aware discretization, reducing decision variables by 94.4\% and achieving a theoretical speedup factor 2.75 times 10^{37} for 20-job instances. Theoretical contributions include partial discretization theory, fractional bucket calculus operators, and quantum-inspired mechanisms for temporal constraint modeling. Empirical validation on instances with 20--400 jobs demonstrates 97.6\% resource utilization, near-perfect load balancing (σ/μ= 0.006), and sustained performance across problem scales with optimality gaps below 5.1\%. This work represents a paradigm shift from fine-grained temporal discretization to multi-resolution precision allocation, bridging the fundamental gap between exact optimization and computational tractability for industrial-scale NP-hard scheduling problems.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

We study the problem of optimizing a function under a budgeted number of evaluations. We only assume that the function is locally smooth around one of its global optima. The difficulty of optimization is measured in terms of 1) the amount of noise b of the function evaluation and 2) the local smoothness, d, of the function. A smaller d results in smaller optimization error. We come with a new, simple, and parameter-free approach. First, for all values of b and d, this approach recovers at least the state-of-the-art regret guarantees. Second, our approach additionally obtains these results while being agnostic to the values of both b and d. This leads to the first algorithm that naturally adapts to an unknown range of noise b and leads to significant improvements in a moderate and low-noise regime. Third, our approach also obtains a remarkable improvement over the state-of-the-art SOO algorithm when the noise is very low which includes the case of optimization under deterministic feedback (b=0). There, under our minimal local smoothness assumption, this improvement is of exponential magnitude and holds for a class of functions that covers the vast majority of functions that practitioners optimize (d=0). We show that our algorithmic improvement is borne out in experiments as we empirically show faster convergence on common benchmarks.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs). However, their applicability is limited by hardware constraints, including shallow circuit depth, limited qubit counts, and noise. To mitigate these issues, we propose a hybrid classical--quantum framework based on graph shrinking to reduce the number of variables and constraints in QUBO formulations of COPs, while preserving problem structure. Our approach introduces three key ideas: (i) constraint-aware shrinking that prevents merges that will likely violate problem-specific feasibility constraints, (ii) a verification-and-repair pipeline to correct infeasible solutions post-optimization, and (iii) adaptive strategies for recalculating correlations and controlling the graph shrinking process. We apply our approach to three standard benchmark problems: Multidimensional Knapsack (MDKP), Maximum Independent Set (MIS), and the Quadratic Assignment Problem (QAP). Empirical results show that our approach improves solution feasibility, reduces repair complexity, and enhances quantum optimization quality on hardware-limited instances. These findings demonstrate a scalable pathway for applying near-term quantum algorithms to classically challenging constrained optimization problems.

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.

Offline preference optimization allows fine-tuning large models directly from offline data, and has proved effective in recent alignment practices. We propose generalized preference optimization (GPO), a family of offline losses parameterized by a general class of convex functions. GPO enables a unified view over preference optimization, encompassing existing algorithms such as DPO, IPO and SLiC as special cases, while naturally introducing new variants. The GPO framework also sheds light on how offline algorithms enforce regularization, through the design of the convex function that defines the loss. Our analysis and experiments reveal the connections and subtle differences between the offline regularization and the KL divergence regularization intended by the canonical RLHF formulation. In a controlled setting akin to Gao et al 2023, we also show that different GPO variants achieve similar trade-offs between regularization and performance, though the optimal values of hyper-parameter might differ as predicted by theory. In all, our results present new algorithmic toolkits and empirical insights to alignment practitioners.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of O(T) where T is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.

Optimizing GPU kernels is critical for efficient modern machine learning systems yet remains challenging due to the complex interplay of design factors and rapid hardware evolution. Existing automated approaches typically treat Large Language Models (LLMs) merely as stochastic code generators within heuristic-guided evolutionary loops. These methods often struggle with complex kernels requiring coordinated, multi-step structural transformations, as they lack explicit planning capabilities and frequently discard promising strategies due to inefficient or incorrect intermediate implementations. To address this, we propose Search via Co-Evolving World Model and build K-Search based on this method. By replacing static search heuristics with a co-evolving world model, our framework leverages LLMs' prior domain knowledge to guide the search, actively exploring the optimization space. This approach explicitly decouples high-level algorithmic planning from low-level program instantiation, enabling the system to navigate non-monotonic optimization paths while remaining resilient to temporary implementation defects. We evaluate K-Search on diverse, complex kernels from FlashInfer, including GQA, MLA, and MoE kernels. Our results show that K-Search significantly outperforms state-of-the-art evolutionary search methods, achieving an average 2.10x improvement and up to a 14.3x gain on complex MoE kernels. On the GPUMode TriMul task, K-Search achieves state-of-the-art performance on H100, reaching 1030us and surpassing both prior evolution and human-designed solutions.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe inefficiency, as many search directions exert negligible influence on the final generation. We show that this inefficiency is closely related to a spectral bias in generative dynamics: model sensitivity to initial perturbations diminishes rapidly as frequency increases. Building on this insight, we propose Spectral Evolution Search (SES), a plug-and-play framework for initial noise optimization that executes gradient-free evolutionary search within a low-frequency subspace. Theoretically, we derive the Spectral Scaling Prediction from perturbation propagation dynamics, which explains the systematic differences in the impact of perturbations across frequencies. Extensive experiments demonstrate that SES significantly advances the Pareto frontier of generation quality versus computational cost, consistently outperforming strong baselines under equivalent budgets.

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

We study the SAM (Sharpness-Aware Minimization) optimizer which has recently attracted a lot of interest due to its increased performance over more classical variants of stochastic gradient descent. Our main contribution is the derivation of continuous-time models (in the form of SDEs) for SAM and two of its variants, both for the full-batch and mini-batch settings. We demonstrate that these SDEs are rigorous approximations of the real discrete-time algorithms (in a weak sense, scaling linearly with the learning rate). Using these models, we then offer an explanation of why SAM prefers flat minima over sharp ones~--~by showing that it minimizes an implicitly regularized loss with a Hessian-dependent noise structure. Finally, we prove that SAM is attracted to saddle points under some realistic conditions. Our theoretical results are supported by detailed experiments.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

Matrix-based optimizers have attracted growing interest for improving LLM training efficiency, with significant progress centered on orthogonalization/whitening based methods. While yielding substantial performance gains, a fundamental question arises: can we develop new paradigms beyond orthogonalization, pushing the efficiency frontier further? We present Adaptively Rotated Optimization (ARO, a new matrix optimization framework that treats gradient rotation as a first class design principle. ARO accelerates LLM training by performing normed steepest descent in a rotated coordinate system, where the rotation is determined by a novel norm-informed policy. This perspective yields update rules that go beyond existing orthogonalization and whitening optimizers, improving sample efficiency in practice. To make comparisons reliable, we propose a rigorously controlled benchmarking protocol that reduces confounding and bias. Under this protocol, ARO consistently outperforms AdamW (by 1.3 sim1.35times) and orthogonalization methods (by 1.1sim1.15times) in LLM pretraining at up to 8B activated parameters, and up to 8times overtrain budget, without evidence of diminishing returns. Finally, we discuss how ARO can be reformulated as a symmetry-aware optimizer grounded in rotational symmetries of residual streams, motivating advanced designs that enable computationally efficient exploitation of cross-layer/cross module couplings.

We propose a new variant of the Adam optimizer [Kingma and Ba, 2014] called MICROADAM that specifically minimizes memory overheads, while maintaining theoretical convergence guarantees. We achieve this by compressing the gradient information before it is fed into the optimizer state, thereby reducing its memory footprint significantly. We control the resulting compression error via a novel instance of the classical error feedback mechanism from distributed optimization [Seide et al., 2014, Alistarh et al., 2018, Karimireddy et al., 2019] in which the error correction information is itself compressed to allow for practical memory gains. We prove that the resulting approach maintains theoretical convergence guarantees competitive to those of AMSGrad, while providing good practical performance. Specifically, we show that MICROADAM can be implemented efficiently on GPUs: on both million-scale (BERT) and billion-scale (LLaMA) models, MicroAdam provides practical convergence competitive to that of the uncompressed Adam baseline, with lower memory usage and similar running time. Our code is available at https://github.com/IST-DASLab/MicroAdam.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

We propose a method that achieves near-optimal rates for smooth stochastic convex optimization and requires essentially no prior knowledge of problem parameters. This improves on prior work which requires knowing at least the initial distance to optimality d0. Our method, U-DoG, combines UniXGrad (Kavis et al., 2019) and DoG (Ivgi et al., 2023) with novel iterate stabilization techniques. It requires only loose bounds on d0 and the noise magnitude, provides high probability guarantees under sub-Gaussian noise, and is also near-optimal in the non-smooth case. Our experiments show consistent, strong performance on convex problems and mixed results on neural network training.

We introduce Riemannian Lyapunov Optimizers (RLOs), a family of optimization algorithms that unifies classic optimizers within one geometric framework. Unlike heuristic improvements to existing optimizers, RLOs are systematically derived from a novel control-theoretic framework that reinterprets optimization as an extended state discrete-time controlled dynamical system on a Riemannian parameter manifold. Central to this framework is the identification of a Normally Attracting Invariant Manifold (NAIM), which organizes training dynamics into two distinct stages: rapid alignment of the speed state to a target graph, followed by controlled evolution within it. We formalize this by constructing a strict Lyapunov function that certifies convergence to a target manifold. This perspective yields a constructive ``optimizer generator" that not only recovers classic algorithms but enables the principled design of RLOs. We validate our theory via geometric diagnostics and demonstrate that grounding optimizer design in control theory yields state-of-the-art performance in large-scale benchmarks. Overall, RLOs bridge control theory and modern machine learning optimization, providing a unified language and a systematic toolkit for designing stable, effective optimizers.

The Sharpness Aware Minimization (SAM) optimization algorithm has been shown to control large eigenvalues of the loss Hessian and provide generalization benefits in a variety of settings. The original motivation for SAM was a modified loss function which penalized sharp minima; subsequent analyses have also focused on the behavior near minima. However, our work reveals that SAM provides a strong regularization of the eigenvalues throughout the learning trajectory. We show that in a simplified setting, SAM dynamically induces a stabilization related to the edge of stability (EOS) phenomenon observed in large learning rate gradient descent. Our theory predicts the largest eigenvalue as a function of the learning rate and SAM radius parameters. Finally, we show that practical models can also exhibit this EOS stabilization, and that understanding SAM must account for these dynamics far away from any minima.

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their ability to capture uncertainty but they make strong assumptions about the observation noise, which might not be warranted in practice. In this work, we propose to leverage conformalized quantile regression which makes minimal assumptions about the observation noise and, as a result, models the target function in a more realistic and robust fashion which translates to quicker HPO convergence on empirical benchmarks. To apply our method in a multi-fidelity setting, we propose a simple, yet effective, technique that aggregates observed results across different resource levels and outperforms conventional methods across many empirical tasks.

We compare the (1,lambda)-EA and the (1 + lambda)-EA on the recently introduced benchmark DisOM, which is the OneMax function with randomly planted local optima. Previous work showed that if all local optima have the same relative height, then the plus strategy never loses more than a factor O(nlog n) compared to the comma strategy. Here we show that even small random fluctuations in the heights of the local optima have a devastating effect for the plus strategy and lead to super-polynomial runtimes. On the other hand, due to their ability to escape local optima, comma strategies are unaffected by the height of the local optima and remain efficient. Our results hold for a broad class of possible distortions and show that the plus strategy, but not the comma strategy, is generally deceived by sparse unstructured fluctuations of a smooth landscape.

A range of recent optimizers have emerged that approximate the same "matrix-whitening" transformation in various ways. In this work, we systematically deconstruct such optimizers, aiming to disentangle the key components that explain performance. Across tuned hyperparameters across the board, all flavors of matrix-whitening methods reliably outperform elementwise counterparts, such as Adam. Matrix-whitening is often related to spectral descent -- however, experiments reveal that performance gains are *not explained solely by accurate spectral normalization* -- particularly, SOAP displays the largest per-step gain, even though Muon more accurately descends along the steepest spectral descent direction. Instead, we argue that matrix-whitening serves two purposes, and the variance adaptation component of matrix-whitening is the overlooked ingredient explaining this performance gap. Experiments show that variance-adapted versions of optimizers consistently outperform their sign-descent counterparts, including an adaptive version of Muon. We further ablate variance adaptation strategies, finding that while lookahead style approximations are not as effective, low-rank variance estimators can effectively reduce memory costs without a performance loss.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for f. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of f without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of f comprises high-dimensional factors.

We introduce Mirage, the first multi-level superoptimizer for tensor programs. A key idea in Mirage is μGraphs, a uniform representation of tensor programs at the kernel, thread block, and thread levels of the GPU compute hierarchy. μGraphs enable Mirage to discover novel optimizations that combine algebraic transformations, schedule transformations, and generation of new custom kernels. To navigate the large search space, Mirage introduces a pruning technique based on abstraction that significantly reduces the search space and provides a certain optimality guarantee. To ensure that the optimized μGraph is equivalent to the input program, Mirage introduces a probabilistic equivalence verification procedure with strong theoretical guarantees. Our evaluation shows that Mirage outperforms existing approaches by up to 3.3times even for DNNs that are widely used and heavily optimized. Mirage is publicly available at https://github.com/mirage-project/mirage.

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

Large Language Models (LLMs) have demonstrated impressive progress in optimization modeling, fostering a rapid expansion of new methodologies and evaluation benchmarks. However, the boundaries of their capabilities in automated formulation and problem solving remain poorly understood, particularly when extending to complex, real-world tasks. To bridge this gap, we propose OPT-ENGINE, an extensible benchmark framework designed to evaluate LLMs on optimization modeling with controllable and scalable difficulty levels. OPT-ENGINE spans 10 canonical tasks across operations research, with five Linear Programming and five Mixed-Integer Programming. Utilizing OPT-ENGINE, we conduct an extensive study of LLMs' reasoning capabilities, addressing two critical questions: 1.) Do LLMs' performance remain robust when generalizing to out-of-distribution optimization tasks that scale in complexity beyond current benchmark levels? and 2.) At what stage, from problem interpretation to solution generation, do current LLMs encounter the most significant bottlenecks? Our empirical results yield two key insights: first, tool-integrated reasoning with external solvers exhibits significantly higher robustness as task complexity escalates, while pure-text reasoning reaches a ceiling; second, the automated formulation of constraints constitutes the primary performance bottleneck. These findings provide actionable guidance for developing next-generation LLMs for advanced optimization. Our code is publicly available at blue{https://github.com/Cardinal-Operations/OPTEngine}.

Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training that then guides important design decisions during the search. However, a significant drawback of these methods is their heavy reliance on offline training, which requires collecting training datasets and computationally costly training epochs yet offering only limited generalization to unseen (larger) instances. In this paper, we propose Balans, an adaptive meta-solver for MIPs with online learning capability that does not require any supervision or apriori training. At its core, Balans is based on adaptive large-neighborhood search, operating on top of an MIP solver by successive applications of destroy and repair neighborhood operators. During the search, the selection among different neighborhood definitions is guided on the fly for the instance at hand via multi-armed bandit algorithms. Our extensive experiments on hard optimization instances show that Balans offers significant performance gains over the default MIP solver, is better than committing to any single best neighborhood, and improves over the state-of-the-art large-neighborhood search for MIPs. Finally, we release Balans as a highly configurable, MIP solver agnostic, open-source software.

The Base-New Trade-off (BNT) problem universally exists during the optimization of CLIP-based prompt tuning, where continuous fine-tuning on base (target) classes leads to a simultaneous decrease of generalization ability on new (unseen) classes. Existing approaches attempt to regulate the prompt tuning process to balance BNT by appending constraints. However, imposed on the same target prompt, these constraints fail to fully avert the mutual exclusivity between the optimization directions for base and new. As a novel solution to this challenge, we propose the plug-and-play Dual-Prompt Collaboration (DPC) framework, the first that decoupling the optimization processes of base and new tasks at the prompt level. Specifically, we clone a learnable parallel prompt based on the backbone prompt, and introduce a variable Weighting-Decoupling framework to independently control the optimization directions of dual prompts specific to base or new tasks, thus avoiding the conflict in generalization. Meanwhile, we propose a Dynamic Hard Negative Optimizer, utilizing dual prompts to construct a more challenging optimization task on base classes for enhancement. For interpretability, we prove the feature channel invariance of the prompt vector during the optimization process, providing theoretical support for the Weighting-Decoupling of DPC. Extensive experiments on multiple backbones demonstrate that DPC can significantly improve base performance without introducing any external knowledge beyond the base classes, while maintaining generalization to new classes. Code is available at: https://github.com/JREion/DPC.

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function f(x) while enforcing a bound constraint |x|_infty leq 1/lambda. Lion achieves this through the incorporation of decoupled weight decay, where lambda represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-kappa algorithms, where the sign(cdot) operator in Lion is replaced by the subgradient of a convex function kappa, leading to the solution of a general composite optimization problem of min_x f(x) + kappa^*(x). Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose SurCo that learns linear text{Sur}rogate costs which can be used in existing text{Co}mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three SurCo variants: SurCo-zero for individual nonlinear problems, SurCo-prior for problem distributions, and SurCo-hybrid to combine both distribution and problem-specific information. We give theoretical intuition motivating SurCo, and evaluate it empirically. Experiments show that SurCo finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

L_2 regularization and weight decay regularization are equivalent for standard stochastic gradient descent (when rescaled by the learning rate), but as we demonstrate this is not the case for adaptive gradient algorithms, such as Adam. While common implementations of these algorithms employ L_2 regularization (often calling it "weight decay" in what may be misleading due to the inequivalence we expose), we propose a simple modification to recover the original formulation of weight decay regularization by decoupling the weight decay from the optimization steps taken w.r.t. the loss function. We provide empirical evidence that our proposed modification (i) decouples the optimal choice of weight decay factor from the setting of the learning rate for both standard SGD and Adam and (ii) substantially improves Adam's generalization performance, allowing it to compete with SGD with momentum on image classification datasets (on which it was previously typically outperformed by the latter). Our proposed decoupled weight decay has already been adopted by many researchers, and the community has implemented it in TensorFlow and PyTorch; the complete source code for our experiments is available at https://github.com/loshchil/AdamW-and-SGDW

We study the use of amortized optimization to predict optimal transport (OT) maps from the input measures, which we call Meta OT. This helps repeatedly solve similar OT problems between different measures by leveraging the knowledge and information present from past problems to rapidly predict and solve new problems. Otherwise, standard methods ignore the knowledge of the past solutions and suboptimally re-solve each problem from scratch. We instantiate Meta OT models in discrete and continuous settings between grayscale images, spherical data, classification labels, and color palettes and use them to improve the computational time of standard OT solvers. Our source code is available at http://github.com/facebookresearch/meta-ot

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Large Language Models (LLMs) prompted to generate chain-of-thought (CoT) exhibit impressive reasoning capabilities. Recent attempts at prompt decomposition toward solving complex, multi-step reasoning problems depend on the ability of the LLM to simultaneously decompose and solve the problem. A significant disadvantage is that foundational LLMs are typically not available for fine-tuning, making adaptation computationally prohibitive. We believe (and demonstrate) that problem decomposition and solution generation are distinct capabilites, better addressed in separate modules, than by one monolithic LLM. We introduce DaSLaM, which uses a decomposition generator to decompose complex problems into subproblems that require fewer reasoning steps. These subproblems are answered by a solver. We use a relatively small (13B parameters) LM as the decomposition generator, which we train using policy gradient optimization to interact with a solver LM (regarded as black-box) and guide it through subproblems, thereby rendering our method solver-agnostic. Evaluation on multiple different reasoning datasets reveal that with our method, a 175 billion parameter LM (text-davinci-003) can produce competitive or even better performance, compared to its orders-of-magnitude larger successor, GPT-4. Additionally, we show that DaSLaM is not limited by the solver's capabilities as a function of scale; e.g., solver LMs with diverse sizes give significant performance improvement with our solver-agnostic decomposition technique. Exhaustive ablation studies evince the superiority of our modular finetuning technique over exorbitantly large decomposer LLMs, based on prompting alone.

We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an epsilon-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

Fine-tuning large pretrained language models on a limited training corpus usually suffers from poor generalization. Prior works show that the recently-proposed sharpness-aware minimization (SAM) optimization method can improve the model generalization. However, SAM adds a perturbation to each model parameter equally (but not all parameters contribute equally to the optimization of training), which we argue is sub-optimal and will lead to excessive computation. In this paper, we propose a novel optimization procedure, namely FSAM, which introduces a Fisher mask to improve the efficiency and performance of SAM. In short, instead of adding perturbation to all parameters, FSAM uses the Fisher information to identity the important parameters and formulates a Fisher mask to obtain the sparse perturbation, i.e., making the optimizer focus on these important parameters. Experiments on various tasks in GLUE and SuperGLUE benchmarks show that FSAM consistently outperforms the vanilla SAM by 0.67~1.98 average score among four different pretrained models. We also empirically show that FSAM works well in other complex scenarios, e.g., fine-tuning on generation tasks or limited training data. Encouragingly, when training data is limited, FSAM improves the SAM by a large margin, i.e., up to 15.1.

Machine learning (ML) has demonstrated considerable potential in supporting model design and optimization for combinatorial optimization (CO) problems. However, much of the progress to date has been evaluated on small-scale, synthetic datasets, raising concerns about the practical effectiveness of ML-based solvers in real-world, large-scale CO scenarios. Additionally, many existing CO benchmarks lack sufficient training data, limiting their utility for evaluating data-driven approaches. To address these limitations, we introduce FrontierCO, a comprehensive benchmark that covers eight canonical CO problem types and evaluates 16 representative ML-based solvers--including graph neural networks and large language model (LLM) agents. FrontierCO features challenging instances drawn from industrial applications and frontier CO research, offering both realistic problem difficulty and abundant training data. Our empirical results provide critical insights into the strengths and limitations of current ML methods, helping to guide more robust and practically relevant advances at the intersection of machine learning and combinatorial optimization. Our data is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

Recent works show that reducing the number of layers in a convolutional neural network can enhance efficiency while maintaining the performance of the network. Existing depth compression methods remove redundant non-linear activation functions and merge the consecutive convolution layers into a single layer. However, these methods suffer from a critical drawback; the kernel size of the merged layers becomes larger, significantly undermining the latency reduction gained from reducing the depth of the network. We show that this problem can be addressed by jointly pruning convolution layers and activation functions. To this end, we propose LayerMerge, a novel depth compression method that selects which activation layers and convolution layers to remove, to achieve a desired inference speed-up while minimizing performance loss. Since the corresponding selection problem involves an exponential search space, we formulate a novel surrogate optimization problem and efficiently solve it via dynamic programming. Empirical results demonstrate that our method consistently outperforms existing depth compression and layer pruning methods on various network architectures, both on image classification and generation tasks. We release the code at https://github.com/snu-mllab/LayerMerge.

Traditional optimization methods rely on the use of single-precision floating point arithmetic, which can be costly in terms of memory size and computing power. However, mixed precision optimization techniques leverage the use of both single and half-precision floating point arithmetic to reduce memory requirements while maintaining model accuracy. We provide here an algorithm to further reduce memory usage during the training of a model by getting rid of the floating point copy of the parameters, virtually keeping only half-precision numbers. We also explore the benefits of getting rid of the gradient's value by executing the optimizer step during the back-propagation. In practice, we achieve up to 25% lower peak memory use and 15% faster training while maintaining the same level of accuracy.

Second-order optimizers, maintaining a matrix termed a preconditioner, are superior to first-order optimizers in both theory and practice. The states forming the preconditioner and its inverse root restrict the maximum size of models trained by second-order optimizers. To address this, compressing 32-bit optimizer states to lower bitwidths has shown promise in reducing memory usage. However, current approaches only pertain to first-order optimizers. In this paper, we propose the first 4-bit second-order optimizers, exemplified by 4-bit Shampoo, maintaining performance similar to that of 32-bit ones. We show that quantizing the eigenvector matrix of the preconditioner in 4-bit Shampoo is remarkably better than quantizing the preconditioner itself both theoretically and experimentally. By rectifying the orthogonality of the quantized eigenvector matrix, we enhance the approximation of the preconditioner's eigenvector matrix, which also benefits the computation of its inverse 4-th root. Besides, we find that linear square quantization slightly outperforms dynamic tree quantization when quantizing second-order optimizer states. Evaluation on various networks for image classification demonstrates that our 4-bit Shampoo achieves comparable test accuracy to its 32-bit counterpart while being more memory-efficient. The source code will be made available.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

Zeroth-order optimization addresses problems where gradient information is inaccessible or impractical to compute. While most existing methods rely on first-order approximations, incorporating second-order (curvature) information can, in principle, significantly accelerate convergence. However, the high cost of function evaluations required to estimate Hessian matrices often limits practical applicability. We present the subspace-based approximate Hessian (ZO-SAH) method, a zeroth-order optimization algorithm that mitigates these costs by focusing on randomly selected two-dimensional subspaces. Within each subspace, ZO-SAH estimates the Hessian by fitting a quadratic polynomial to the objective function and extracting its second-order coefficients. To further reduce function-query costs, ZO-SAH employs a periodic subspace-switching strategy that reuses function evaluations across optimization steps. Experiments on eight benchmark datasets, including logistic regression and deep neural network training tasks, demonstrate that ZO-SAH achieves significantly faster convergence than existing zeroth-order methods.

Training stability is a persistent challenge in the pre-training of large language models (LLMs), particularly for architectures such as Post-Norm Transformers, which are prone to gradient explosion and dissipation. In this paper, we propose Scale-Distribution Decoupling (SDD), a novel approach that stabilizes training by explicitly decoupling the scale and distribution of the weight matrix in fully-connected layers. SDD applies a normalization mechanism to regulate activations and a learnable scaling vector to maintain well-conditioned gradients, effectively preventing gradient explosion and dissipation. This separation improves optimization efficiency, particularly in deep networks, by ensuring stable gradient propagation. Experimental results demonstrate that our method stabilizes training across various LLM architectures and outperforms existing techniques in different normalization configurations. Furthermore, the proposed method is lightweight and compatible with existing frameworks, making it a practical solution for stabilizing LLM training. Code is available at https://github.com/kaihemo/SDD.

Training learned image compression (LIC) models entails navigating a challenging optimization landscape defined by the fundamental trade-off between rate and distortion. Standard first-order optimizers, such as SGD and Adam, struggle with gradient conflicts arising from competing objectives, leading to slow convergence and suboptimal rate-distortion performance. In this work, we demonstrate that a simple utilization of a second-order quasi-Newton optimizer, SOAP, dramatically improves both training efficiency and final performance across diverse LICs. Our theoretical and empirical analyses reveal that Newton preconditioning inherently resolves the intra-step and inter-step update conflicts intrinsic to the R-D objective, facilitating faster, more stable convergence. Beyond acceleration, we uncover a critical deployability benefit: second-order trained models exhibit significantly fewer activation and latent outliers. This substantially enhances robustness to post-training quantization. Together, these results establish second-order optimization, achievable as a seamless drop-in replacement of the imported optimizer, as a powerful, practical tool for advancing the efficiency and real-world readiness of LICs.

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second order statistics of the data, are far less prevalent despite strong theoretical properties, due to their prohibitive computation, memory and communication costs. In an attempt to bridge this gap between theoretical and practical optimization, we present a scalable implementation of a second-order preconditioned method (concretely, a variant of full-matrix Adagrad), that along with several critical algorithmic and numerical improvements, provides significant convergence and wall-clock time improvements compared to conventional first-order methods on state-of-the-art deep models. Our novel design effectively utilizes the prevalent heterogeneous hardware architecture for training deep models, consisting of a multicore CPU coupled with multiple accelerator units. We demonstrate superior performance compared to state-of-the-art on very large learning tasks such as machine translation with Transformers, language modeling with BERT, click-through rate prediction on Criteo, and image classification on ImageNet with ResNet-50.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

We show that low-rank adaptation of large-scale models suffers from a low stable rank that is well below the linear algebraic rank of the subspace, degrading fine-tuning performance. To mitigate the underutilization of the allocated subspace, we propose PoLAR, a parameterization inspired by the polar decomposition that factorizes the low-rank update into two direction matrices constrained to Stiefel manifolds and an unconstrained scale matrix. Our theory shows that PoLAR yields an exponentially faster convergence rate on a canonical low-rank adaptation problem. Pairing the parameterization with Riemannian optimization leads to consistent gains on three different benchmarks testing general language understanding, commonsense reasoning, and mathematical problem solving with base model sizes ranging from 350M to 27B.

Simulation optimization (SO) is frequently challenged by noisy evaluations, high computational costs, and complex, multimodal search landscapes. This paper introduces Tabu-Enhanced Simulation Optimization (TESO), a novel metaheuristic framework integrating adaptive search with memory-based strategies. TESO leverages a short-term Tabu List to prevent cycling and encourage diversification, and a long-term Elite Memory to guide intensification by perturbing high-performing solutions. An aspiration criterion allows overriding tabu restrictions for exceptional candidates. This combination facilitates a dynamic balance between exploration and exploitation in stochastic environments. We demonstrate TESO's effectiveness and reliability using an queue optimization problem, showing improved performance compared to benchmarks and validating the contribution of its memory components. Source code and data are available at: https://github.com/bulentsoykan/TESO.

We present DuPO, a dual learning-based preference optimization framework that generates annotation-free feedback via a generalized duality. DuPO addresses two key limitations: Reinforcement Learning with Verifiable Rewards (RLVR)'s reliance on costly labels and applicability restricted to verifiable tasks, and traditional dual learning's restriction to strictly dual task pairs (e.g., translation and back-translation). Specifically, DuPO decomposes a primal task's input into known and unknown components, then constructs its dual task to reconstruct the unknown part using the primal output and known information (e.g., reversing math solutions to recover hidden variables), broadening applicability to non-invertible tasks. The quality of this reconstruction serves as a self-supervised reward to optimize the primal task, synergizing with LLMs' ability to instantiate both tasks via a single model. Empirically, DuPO achieves substantial gains across diverse tasks: it enhances the average translation quality by 2.13 COMET over 756 directions, boosts the mathematical reasoning accuracy by an average of 6.4 points on three challenge benchmarks, and enhances performance by 9.3 points as an inference-time reranker (trading computation for accuracy). These results position DuPO as a scalable, general, and annotation-free paradigm for LLM optimization.

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Robust optimization provides a mathematical framework for modeling and solving decision-making problems under worst-case uncertainty. This work addresses two-stage robust optimization (2RO) problems (also called adjustable robust optimization), wherein first-stage and second-stage decisions are made before and after uncertainty is realized, respectively. This results in a nested min-max-min optimization problem which is extremely challenging computationally, especially when the decisions are discrete. We propose Neur2RO, an efficient machine learning-driven instantiation of column-and-constraint generation (CCG), a classical iterative algorithm for 2RO. Specifically, we learn to estimate the value function of the second-stage problem via a novel neural network architecture that is easy to optimize over by design. Embedding our neural network into CCG yields high-quality solutions quickly as evidenced by experiments on two 2RO benchmarks, knapsack and capital budgeting. For knapsack, Neur2RO finds solutions that are within roughly 2% of the best-known values in a few seconds compared to the three hours of the state-of-the-art exact branch-and-price algorithm; for larger and more complex instances, Neur2RO finds even better solutions. For capital budgeting, Neur2RO outperforms three variants of the k-adaptability algorithm, particularly on the largest instances, with a 10 to 100-fold reduction in solution time. Our code and data are available at https://github.com/khalil-research/Neur2RO.

Learned optimization has emerged as a promising alternative to hand-crafted optimizers, with the potential to discover stronger learned update rules that enable faster, hyperparameter-free training of neural networks. A critical element for practically useful learned optimizers, that can be used off-the-shelf after meta-training, is strong meta-generalization: the ability to apply the optimizers to new tasks. Recent state-of-the-art work in learned optimizers, VeLO (Metz et al., 2022), requires a large number of highly diverse meta-training tasks along with massive computational resources, 4000 TPU months, to achieve meta-generalization. This makes further improvements to such learned optimizers impractical. In this work, we identify several key elements in learned optimizer architectures and meta-training procedures that can lead to strong meta-generalization. We also propose evaluation metrics to reliably assess quantitative performance of an optimizer at scale on a set of evaluation tasks. Our proposed approach, Celo, makes a significant leap in improving the meta-generalization performance of learned optimizers and also outperforms tuned state-of-the-art optimizers on a diverse set of out-of-distribution tasks, despite being meta-trained for just 24 GPU hours.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

Training large neural networks typically requires sharing gradients between accelerators through specialized high-speed interconnects. Drawing from the signal processing principles of frequency decomposition and energy compaction, we demonstrate that synchronizing full optimizer states and model parameters during training is unnecessary. By decoupling momentum updates and allowing controlled divergence in optimizer states across accelerators, we achieve improved convergence compared to state-of-the-art optimizers. We introduce {De}coupled {Mo}mentum (DeMo), a fused optimizer and data parallel algorithm that reduces inter-accelerator communication requirements by several orders of magnitude. This enables training of large neural networks even with limited network bandwidth and heterogeneous hardware. Our method is topology-agnostic and architecture-independent and supports scalable clock-synchronous distributed training with negligible compute and memory overhead. Empirical results show that models trained with DeMo match or exceed the performance of equivalent models trained with AdamW, while eliminating the need for high-speed interconnects when pre-training large scale foundation models. An open source reference PyTorch implementation is published on GitHub at https://github.com/bloc97/DeMo

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

Exploiting partial first-order information in a cyclic way is arguably the most natural strategy to obtain scalable first-order methods. However, despite their wide use in practice, cyclic schemes are far less understood from a theoretical perspective than their randomized counterparts. Motivated by a recent success in analyzing an extrapolated cyclic scheme for generalized variational inequalities, we propose an Accelerated Cyclic Coordinate Dual Averaging with Extrapolation (A-CODER) method for composite convex optimization, where the objective function can be expressed as the sum of a smooth convex function accessible via a gradient oracle and a convex, possibly nonsmooth, function accessible via a proximal oracle. We show that A-CODER attains the optimal convergence rate with improved dependence on the number of blocks compared to prior work. Furthermore, for the setting where the smooth component of the objective function is expressible in a finite sum form, we introduce a variance-reduced variant of A-CODER, VR-A-CODER, with state-of-the-art complexity guarantees. Finally, we demonstrate the effectiveness of our algorithms through numerical experiments.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Many important optimization problems, such as the minimum spanning tree and minimum-cost flow, can be solved optimally by a greedy method. In this work, we study a learning variant of these problems, where the model of the problem is unknown and has to be learned by interacting repeatedly with the environment in the bandit setting. We formalize our learning problem quite generally, as learning how to maximize an unknown modular function on a known polymatroid. We propose a computationally efficient algorithm for solving our problem and bound its expected cumulative regret. Our gap-dependent upper bound is tight up to a constant and our gap-free upper bound is tight up to polylogarithmic factors. Finally, we evaluate our method on three problems and demonstrate that it is practical.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

The objective of domain generalization (DG) is to enhance the transferability of the model learned from a source domain to unobserved domains. To prevent overfitting to a specific domain, Sharpness-Aware Minimization (SAM) reduces source domain's loss sharpness. Although SAM variants have delivered significant improvements in DG, we highlight that there's still potential for improvement in generalizing to unknown domains through the exploration on data space. This paper introduces an objective rooted in both parameter and data perturbed regions for domain generalization, coined Unknown Domain Inconsistency Minimization (UDIM). UDIM reduces the loss landscape inconsistency between source domain and unknown domains. As unknown domains are inaccessible, these domains are empirically crafted by perturbing instances from the source domain dataset. In particular, by aligning the loss landscape acquired in the source domain to the loss landscape of perturbed domains, we expect to achieve generalization grounded on these flat minima for the unknown domains. Theoretically, we validate that merging SAM optimization with the UDIM objective establishes an upper bound for the true objective of the DG task. In an empirical aspect, UDIM consistently outperforms SAM variants across multiple DG benchmark datasets. Notably, UDIM shows statistically significant improvements in scenarios with more restrictive domain information, underscoring UDIM's generalization capability in unseen domains. Our code is available at https://github.com/SJShin-AI/UDIM.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

While large language models (LLMs) have emerged as a significant advancement in artificial intelligence, the hardware and computational costs for training LLMs are also significantly burdensome. Among the state-of-the-art optimizers, AdamW relies on diagonal curvature estimates and ignores structural properties, while Muon applies global spectral normalization at the expense of losing curvature information. In this study, we restriked manifold optimization methods for training LLMs, which may address both optimizers' limitations, while conventional manifold optimization methods have been largely overlooked due to the poor performance in large-scale model optimization. By innovatively projecting the momentum onto the tangent space of model parameters and constraining it on a rotational Oblique manifold, we propose a novel, powerful, and efficient optimizer **Mano** that is the first to bridge the performance gap between manifold optimization and modern optimizers. Extensive experiments on the LLaMA and Qwen3 models demonstrate that Mano consistently and significantly outperforms AdamW and Muon even with less memory consumption and computational complexity, respectively, suggesting an expanded Pareto frontier in terms of space and time efficiency.

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

Geometry-aware optimization algorithms, such as Muon, have achieved remarkable success in training deep neural networks (DNNs). These methods leverage the underlying geometry of DNNs by selecting appropriate norms for different layers and updating parameters via norm-constrained linear minimization oracles (LMOs). However, even within a group of layers associated with the same norm, the local curvature can be heterogeneous across layers and vary dynamically over the course of training. For example, recent work shows that sharpness varies substantially across transformer layers and throughout training, yet standard geometry-aware optimizers impose fixed learning rates to layers within the same group, which may be inefficient for DNN training. In this paper, we introduce a noise-adaptive layerwise learning rate scheme on top of geometry-aware optimization algorithms and substantially accelerate DNN training compared to methods that use fixed learning rates within each group. Our method estimates gradient variance in the dual norm induced by the chosen LMO on the fly, and uses it to assign time-varying noise-adaptive layerwise learning rates within each group. We provide a theoretical analysis showing that our algorithm achieves a sharp convergence rate. Empirical results on transformer architectures such as LLaMA and GPT demonstrate that our approach achieves faster convergence than state-of-the-art optimizers.

Standard mixed-precision training of neural networks requires many bytes of accelerator memory for each model parameter. These bytes reflect not just the parameter itself, but also its gradient and one or more optimizer state variables. With each of these values typically requiring 4 bytes, training even a 7 billion parameter model can be impractical for researchers with less than 100GB of accelerator memory. We introduce FlashOptim, a suite of optimizations that reduces per-parameter memory by over 50% while preserving model quality and API compatibility. Our approach introduces two key techniques. First, we improve master weight splitting by finding and exploiting a tight bound on its quantization error. Second, we design companding functions that greatly reduce the error in 8-bit optimizer state quantization. Together with 16-bit gradients, these techniques reduce AdamW memory from 16 bytes to 7 bytes per parameter, or 5 bytes with gradient release. They also cut model checkpoint sizes by more than half. Experiments with FlashOptim applied to SGD, AdamW, and Lion show no measurable quality degradation on any task from a collection of standard vision and language benchmarks, including Llama-3.1-8B finetuning.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems-a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agent frameworks against established human-designed algorithms, revealing key strengths and limitations of current approaches and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

The commitment to single-precision floating-point arithmetic is widespread in the deep learning community. To evaluate whether this commitment is justified, the influence of computing precision (single and double precision) on the optimization performance of the Conjugate Gradient (CG) method (a second-order optimization algorithm) and RMSprop (a first-order algorithm) has been investigated. Tests of neural networks with one to five fully connected hidden layers and moderate or strong nonlinearity with up to 4 million network parameters have been optimized for Mean Square Error (MSE). The training tasks have been set up so that their MSE minimum was known to be zero. Computing experiments have disclosed that single-precision can keep up (with superlinear convergence) with double-precision as long as line search finds an improvement. First-order methods such as RMSprop do not benefit from double precision. However, for moderately nonlinear tasks, CG is clearly superior. For strongly nonlinear tasks, both algorithm classes find only solutions fairly poor in terms of mean square error as related to the output variance. CG with double floating-point precision is superior whenever the solutions have the potential to be useful for the application goal.

Generative foundation models are increasingly scaled in both width and depth, posing significant challenges for stable feature learning and reliable hyperparameter (HP) transfer across model sizes. While maximal update parameterization (μP) has provided a principled solution to both problems for width scaling, existing extensions to the joint width-depth scaling regime remain fragmented, architecture- and optimizer-specific, and often rely on technically involved theories. In this work, we develop a simple and unified spectral framework for μP under joint width-depth scaling. Considering residual networks of varying block depths, we first introduce a spectral μP condition that precisely characterizes how the norms of weights and their per-step updates should scale with width and depth, unifying previously disparate μP formulations as special cases. Building on this condition, we then derive a general recipe for implementing μP across a broad class of optimizers by mapping the spectral constraints to concrete HP parameterizations. This approach not only recovers existing μP formulations (e.g., for SGD and AdamW) but also naturally extends to a wider range of optimizers. Finally, experiments on GPT-2 style language models demonstrate that the proposed spectral μP condition preserves stable feature learning and enables robust HP transfer under width-depth scaling.

We study the conditions under which the convex relaxation of a mixed-integer linear programming formulation for ordered optimization problems, where sorting is part of the decision process, yields integral optimal solutions. Thereby solving the problem exactly in polynomial time. Our analysis identifies structural properties of the input data that influence the integrality of the relaxation. We show that incorporating ordered components introduces additional layers of combinatorial complexity that invalidate the exactness observed in classical (non-ordered) settings. In particular, for certain ordered problems such as the min--max case, the linear relaxation never recovers the integral solution. These results clarify the intrinsic hardness introduced by sorting and reveal that the strength of the relaxation depends critically on the ``proximity'' of the ordered problem to its classical counterpart: problems closer to the non-ordered case tend to admit tighter relaxations, while those further away exhibit substantially weaker behavior. Computational experiments on benchmark instances confirm the predictive value of the integrality conditions and demonstrate the practical implications of exact relaxations for ordered location problems.

We propose an adaptive step size with an energy approach for a suitable class of preconditioned gradient descent methods. We focus on settings where the preconditioning is applied to address the constraints in optimization problems, such as the Hessian-Riemannian and natural gradient descent methods. More specifically, we incorporate these preconditioned gradient descent algorithms in the recently introduced Adaptive Energy Gradient Descent (AEGD) framework. In particular, we discuss theoretical results on the unconditional energy-stability and convergence rates across three classes of objective functions. Furthermore, our numerical results demonstrate excellent performance of the proposed method on several test bed optimization problems.

We consider a family of convex quadratic programs in which the coefficients of the linear objective term and the righthand side of the constraints are affine functions of a parameter. It is well known that the solution of such a parametrized quadratic program is a piecewise affine function of the parameter. The number of (polyhedral) regions in the solution map can grow exponentially in problem size, but when the number of regions is moderate, a so-called explicit solver is practical. Such a solver computes the coefficients of the affine functions and the linear inequalities defining the polyhedral regions offline; to solve a problem instance online it simply evaluates this explicit solution map. Potential advantages of an explicit solver over a more general purpose iterative solver can include transparency, interpretability, reliability, and speed. In this paper we describe how code generation can be used to automatically generate an explicit solver from a high level description of a parametrized quadratic program. Our method has been implemented in the open-source software CVXPYgen, which is part of CVXPY, a domain specific language for general convex optimization.

The increasing computational and memory demands in deep learning present significant challenges, especially in resource-constrained environments. We introduce a zero-order quantized optimization (ZOQO) method designed for training models with quantized parameters and operations. Our approach leverages zero-order approximations of the gradient sign and adapts the learning process to maintain the parameters' quantization without the need for full-precision gradient calculations. We demonstrate the effectiveness of ZOQO through experiments in fine-tuning of large language models and black-box adversarial attacks. Despite the limitations of zero-order and quantized operations training, our method achieves competitive performance compared to full-precision methods, highlighting its potential for low-resource environments.

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension d, if the Hessian is given as a sum of m rank-one matrices, using O(dm^2) precomputation, O(dm) cost for computing the IHVP, and query cost O(m) for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost O(dm + m^2) for computing the IHVP and O(dm + m^3) for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].

Is the standard weight decay in AdamW truly optimal? Although AdamW decouples weight decay from adaptive gradient scaling, a fundamental conflict remains: the Radial Tug-of-War. In deep learning, gradients tend to increase parameter norms to expand effective capacity while steering directions to learn features, whereas weight decay indiscriminately suppresses norm growth. This push--pull interaction induces radial oscillations, injecting noise into Adam's second-moment estimates and potentially degrading delicate tangential feature learning. We argue that magnitude and direction play distinct roles and should be decoupled in optimizer dynamics. We propose Orthogonal Dynamics Decoupling and instantiate it as AdamO: an SGD-style update handles the one-dimensional norm control, while Adam's adaptive preconditioning is confined to the tangential subspace. AdamO further incorporates curvature-adaptive radial step sizing and architecture-aware rules and projections for scale-invariant layers and low-dimensional parameters. Experiments on vision and language tasks show that AdamO improves generalization and stability over AdamW without introducing additional complex constraints.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

Solving Mixed-Integer Programming (MIP) problems often requires substantial computational resources due to their combinatorial nature. Parallelization has emerged as a critical strategy to accelerate solution times and enhance scalability to tackle large, complex instances. This paper investigates the parallelization capabilities of Balans, a recently proposed multi-armed bandits-based adaptive large neighborhood search for MIPs. While Balans's modular architecture inherently supports parallel exploration of diverse parameter configurations, this potential has not been thoroughly examined. To address this gap, we introduce ParBalans, an extension that leverages both solver-level and algorithmic-level parallelism to improve performance on challenging MIP instances. Our experimental results demonstrate that ParBalans exhibits competitive performance compared to the state-of-the-art commercial solver Gurobi, particularly on hard optimization benchmarks.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Stochastic dual dynamic programming (SDDP) is a state-of-the-art method for solving multi-stage stochastic optimization, widely used for modeling real-world process optimization tasks. Unfortunately, SDDP has a worst-case complexity that scales exponentially in the number of decision variables, which severely limits applicability to only low dimensional problems. To overcome this limitation, we extend SDDP by introducing a trainable neural model that learns to map problem instances to a piece-wise linear value function within intrinsic low-dimension space, which is architected specifically to interact with a base SDDP solver, so that can accelerate optimization performance on new instances. The proposed Neural Stochastic Dual Dynamic Programming (nu-SDDP) continually self-improves by solving successive problems. An empirical investigation demonstrates that nu-SDDP can significantly reduce problem solving cost without sacrificing solution quality over competitors such as SDDP and reinforcement learning algorithms, across a range of synthetic and real-world process optimization problems.

Learned optimizers have been an active research topic over the past decade, with increasing progress toward practical, general-purpose optimizers that can serve as drop-in replacements for widely used methods like Adam. However, recent advances -- such as VeLO, which was meta-trained for 4000 TPU-months -- remain largely inaccessible to the broader community, in part due to their reliance on JAX and the absence of user-friendly packages for applying the optimizers after meta-training. To address this gap, we introduce PyLO, a PyTorch-based library that brings learned optimizers to the broader machine learning community through familiar, widely adopted workflows. Unlike prior work focused on synthetic or convex tasks, our emphasis is on applying learned optimization to real-world large-scale pre-training tasks. Our release includes a CUDA-accelerated version of the small_fc_lopt learned optimizer architecture from (Metz et al., 2022a), delivering substantial speedups -- from 39.36 to 205.59 samples/sec throughput for training ViT B/16 with batch size 32. PyLO also allows us to easily combine learned optimizers with existing optimization tools such as learning rate schedules and weight decay. When doing so, we find that learned optimizers can substantially benefit. Our code is available at https://github.com/Belilovsky-Lab/pylo

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce ParetoFlow, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor (classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a multi-objective predictor guidance module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a neighboring evolution module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks.

The Muon optimizer has rapidly emerged as a powerful, geometry-aware alternative to AdamW, demonstrating strong performance in large-scale training of neural networks. However, a critical theory-practice disconnect exists: Muon's efficiency relies on fast, approximate orthogonalization, yet all prior theoretical work analyzes an idealized, computationally intractable version assuming exact SVD-based updates. This work moves beyond the ideal by providing the first analysis of the inexact orthogonalized update at Muon's core. We develop our analysis within the general framework of Linear Minimization Oracle (LMO)-based optimization, introducing a realistic additive error model to capture the inexactness of practical approximation schemes. Our analysis yields explicit bounds that quantify performance degradation as a function of the LMO inexactness/error. We reveal a fundamental coupling between this inexactness and the optimal step size and momentum: lower oracle precision requires a smaller step size but larger momentum parameter. These findings elevate the approximation procedure (e.g., the number of Newton-Schulz steps) from an implementation detail to a critical parameter that must be co-tuned with the learning schedule. NanoGPT experiments directly confirm the predicted coupling, with optimal learning rates clearly shifting as approximation precision changes.

Learning to optimize has emerged as a powerful framework for various optimization and machine learning tasks. Current such "meta-optimizers" often learn in the space of continuous optimization algorithms that are point-based and uncertainty-unaware. To overcome the limitations, we propose a meta-optimizer that learns in the algorithmic space of both point-based and population-based optimization algorithms. The meta-optimizer targets at a meta-loss function consisting of both cumulative regret and entropy. Specifically, we learn and interpret the update formula through a population of LSTMs embedded with sample- and feature-level attentions. Meanwhile, we estimate the posterior directly over the global optimum and use an uncertainty measure to help guide the learning process. Empirical results over non-convex test functions and the protein-docking application demonstrate that this new meta-optimizer outperforms existing competitors.

Bilevel optimization has shown its utility across various machine learning settings, yet most algorithms in practice require second-order information, making it challenging to scale them up. Only recently, a paradigm of first-order algorithms has emerged in the theoretical literature, capable of effectively addressing bilevel optimization problems. Nevertheless, the practical efficiency of this paradigm remains unverified, particularly in the context of large language models (LLMs). This paper introduces the first scalable instantiation of this paradigm called ScaleBiO, focusing on bilevel optimization for large-scale LLM data reweighting. By combining with a recently proposed memory-efficient training technique called LISA, our novel algorithm allows the paradigm to scale to sim30B-sized LLMs on 8timesH100 GPUs, marking the first successful application of bilevel optimization under practical scenarios for large-sized LLMs. Empirically, extensive experiments on data reweighting verify the effectiveness of ScaleBiO for different-scaled models, including Llama-3-8B, Gemma-2-9B, Qwen-2-7B, and Qwen-2.5-32B, where bilevel optimization succeeds in instruction-following and math reasoning tasks, outperforming several popular baselines, including uniform sampling, influence-aware data filtering, and reference-model-based sampling methods. Theoretically, ScaleBiO ensures the optimality of the learned data weights, along with a convergence guarantee matching the conventional first-order bilevel optimization paradigm on smooth and strongly convex objectives.

Minimax problems are notoriously challenging to optimize. However, we demonstrate that the two-timescale extragradient can be a viable solution. By utilizing dynamical systems theory, we show that it converges to points that satisfy the second-order necessary condition of local minimax points, under a mild condition. This work surpasses all previous results as we eliminate a crucial assumption that the Hessian, with respect to the maximization variable, is nondegenerate.

In the post-Dennard era, optimizing embedded systems requires navigating complex trade-offs between energy efficiency and latency. Traditional heuristic tuning is often inefficient in such high-dimensional, non-smooth landscapes. In this work, we propose a Bayesian Optimization framework using Gaussian Processes to automate the search for optimal scheduling configurations on heterogeneous multi-core architectures. We explicitly address the multi-objective nature of the problem by approximating the Pareto Frontier between energy and time. Furthermore, by incorporating Sensitivity Analysis (fANOVA) and comparing different covariance kernels (e.g., Matérn vs. RBF), we provide physical interpretability to the black-box model, revealing the dominant hardware parameters driving system performance.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.