Daily Papers

Gaussian splatting, renowned for its exceptional rendering quality and efficiency, has emerged as a prominent technique in 3D scene representation. However, the substantial data volume of Gaussian splatting impedes its practical utility in real-world applications. Herein, we propose an efficient 3D scene representation, named Compressed Gaussian Splatting (CompGS), which harnesses compact Gaussian primitives for faithful 3D scene modeling with a remarkably reduced data size. To ensure the compactness of Gaussian primitives, we devise a hybrid primitive structure that captures predictive relationships between each other. Then, we exploit a small set of anchor primitives for prediction, allowing the majority of primitives to be encapsulated into highly compact residual forms. Moreover, we develop a rate-constrained optimization scheme to eliminate redundancies within such hybrid primitives, steering our CompGS towards an optimal trade-off between bitrate consumption and representation efficacy. Experimental results show that the proposed CompGS significantly outperforms existing methods, achieving superior compactness in 3D scene representation without compromising model accuracy and rendering quality. Our code will be released on GitHub for further research.

The rapid advancement of large-language models (LLMs) has driven extensive research into parameter compression after training has been completed, yet compression during the training phase remains largely unexplored. In this work, we introduce Rate-Constrained Training (BackSlash), a novel training-time compression approach based on rate-distortion optimization (RDO). BackSlash enables a flexible trade-off between model accuracy and complexity, significantly reducing parameter redundancy while preserving performance. Experiments in various architectures and tasks demonstrate that BackSlash can reduce memory usage by 60% - 90% without accuracy loss and provides significant compression gain compared to compression after training. Moreover, BackSlash proves to be highly versatile: it enhances generalization with small Lagrange multipliers, improves model robustness to pruning (maintaining accuracy even at 80% pruning rates), and enables network simplification for accelerated inference on edge devices.

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.

Behavior of deep neural networks can be inconsistent between different versions. Regressions during model update are a common cause of concern that often over-weigh the benefits in accuracy or efficiency gain. This work focuses on quantifying, reducing and analyzing regression errors in the NLP model updates. Using negative flip rate as regression measure, we show that regression has a prevalent presence across tasks in the GLUE benchmark. We formulate the regression-free model updates into a constrained optimization problem, and further reduce it into a relaxed form which can be approximately optimized through knowledge distillation training method. We empirically analyze how model ensemble reduces regression. Finally, we conduct CheckList behavioral testing to understand the distribution of regressions across linguistic phenomena, and the efficacy of ensemble and distillation methods.

Multimodal reasoning models (MRMs) trained with reinforcement learning with verifiable rewards (RLVR) show improved accuracy on visual reasoning benchmarks. However, we observe that accuracy gains often come at the cost of reasoning quality: generated Chain-of-Thought (CoT) traces are frequently inconsistent with the final answer and poorly grounded in the visual evidence. We systematically study this phenomenon across seven challenging real-world spatial reasoning benchmarks and find that it affects contemporary MRMs such as ViGoRL-Spatial, TreeVGR as well as our own models trained with standard Group Relative Policy Optimization (GRPO). We characterize CoT reasoning quality along two complementary axes: "logical consistency" (does the CoT entail the final answer?) and "visual grounding" (does each reasoning step accurately describe objects, attributes, and spatial relationships in the image?). To address this, we propose Faithful GRPO (FGRPO), a variant of GRPO that enforces consistency and grounding as constraints via Lagrangian dual ascent. FGRPO incorporates batch-level consistency and grounding constraints into the advantage computation within a group, adaptively adjusting the relative importance of constraints during optimization. We evaluate FGRPO on Qwen2.5-VL-7B and 3B backbones across seven spatial datasets. Our results show that FGRPO substantially improves reasoning quality, reducing the inconsistency rate from 24.5% to 1.7% and improving visual grounding scores by +13%. It also improves final answer accuracy over simple GRPO, demonstrating that faithful reasoning enables better answers.

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.

In recent years, bilevel optimization (BLO) has attracted significant attention for its broad applications in machine learning. However, most existing works on BLO remain confined to the single-task setting and rely on the lower-level strong convexity assumption, which significantly restricts their applicability to modern machine learning problems of growing complexity. In this paper, we make the first attempt to extend BLO to the multi-task setting under a relaxed lower-level general convexity (LLGC) assumption. To this end, we reformulate the multi-task bilevel learning (MTBL) problem with LLGC into an equality constrained multi-objective optimization (ECMO) problem. However, ECMO itself is a new problem that has not yet been studied in the literature. To address this gap, we first establish a new Karush-Kuhn-Tucker (KKT)-based Pareto stationarity as the convergence criterion for ECMO algorithm design. Based on this foundation, we propose a weighted Chebyshev (WC)-penalty algorithm that achieves a finite-time convergence rate of O(ST^{-1{2}) to KKT-based Pareto stationarity in both deterministic and stochastic settings, where S denotes the number of objectives, and T is the total iterations. Moreover, by varying the preference vector over the S-dimensional simplex, our WC-penalty method systematically explores the Pareto front. Finally, solutions to the ECMO problem translate directly into solutions for the original MTBL problem, thereby closing the loop between these two foundational optimization frameworks.

The rate-distortion-perception (RDP) trade-off extends classical rate--distortion theory by imposing a distributional constraint on reconstructions, providing a unified framework for neural image compression that jointly governs fidelity and perceptual realism. While prior work achieves near-optimal rate--perception trade-offs, practical frameworks explicitly realizing the full RDP surface remain scarce, primarily due to the difficulty of introducing common randomness at the decoder. We propose DCIC (Dual-Constrained Diffusion Image Compression), which integrates a learned codec with a diffusion-based decoder governed by joint distortion and idempotence constraints. The distortion constraint bounds reconstruction fidelity relative to the base codec output; the idempotence constraint -- requiring that re-encoding the restored image recovers the base codec reconstruction -- serves as a tractable surrogate for the distributional perception requirement. Together, they steer the reverse denoising process via iterative optimization with consistent noise injection, realizing common randomness without additional rate overhead. At fixed rate, dual attenuation factors (K_D, K_P) jointly navigate the Pareto frontier of the distortion-perception plane, enabling continuously adjustable fidelity-realism trade-offs from a single bitstream. DCIC_{RD} (K_P{=}0) and DCIC_{RP} (K_D{=}0) arise as boundary curves, with DCIC_{RDP} (K_D = K_P=1) realizing the optimal interior operating point. Experiments on CelebA-HQ, CLIC2020, and ImageNet-1K across CNN, Transformer, and hybrid architectures confirm that DCIC_{RDP} achieves superior BD-PSNR over all perceptual codecs, while DCIC_{RP} matches dedicated perception-oriented methods in BD-FID, validating the practical value of full RDP surface navigation.

The rapid growth of visual data under stringent storage and bandwidth constraints makes extremely low-bitrate image compression increasingly important. While Vector Quantization (VQ) offers strong structural fidelity, existing methods lack a principled mechanism for joint rate-distortion (RD) optimization due to the disconnect between representation learning and entropy modeling. We propose RDVQ, a unified framework that enables end-to-end RD optimization for VQ-based compression via a differentiable relaxation of the codebook distribution, allowing the entropy loss to directly shape the latent prior. We further develop an autoregressive entropy model that supports accurate entropy modeling and test-time rate control. Extensive experiments demonstrate that RDVQ achieves strong performance at extremely low bitrates with a lightweight architecture, attaining competitive or superior perceptual quality with significantly fewer parameters. Compared with RDEIC, RDVQ reduces bitrate by up to 75.71% on DISTS and 37.63% on LPIPS on DIV2K-val. Beyond empirical gains, RDVQ introduces an entropy-constrained formulation of VQ, highlighting the potential for a more unified view of image tokenization and compression. The code will be available at https://github.com/CVL-UESTC/RDVQ.

Automated radiology report generation from 3D computed tomography (CT) volumes is challenging due to extreme sequence lengths, severe class imbalance, and the tendency of large language models (LLMs) to ignore visual tokens in favor of linguistic priors. We present Ker-VLJEPA-3B, a four-phase curriculum learning framework for free-text report generation from thoracic CT volumes. A phased training curriculum progressively adapts a Llama 3.2 3B decoder to ground its output in visual features from a frozen, self-supervised encoder. Our visual backbone (LeJEPA ViT-Large) is trained via self-supervised joint-embedding prediction on unlabeled CTs, without text supervision. Unlike contrastive models (CLIP, BiomedCLIP), this language-free backbone yields modality-pure representations. Vision-language alignment is deferred to the curriculum's bridge and generation phases. This modality-agnostic design can integrate any self-supervised encoder into an LLM without paired text during foundation training. Methodological innovations include: (1) zone-constrained cross-attention compressing slice embeddings into 32 spatially-grounded visual tokens; (2) PCA whitening of anisotropic LLM embeddings; (3) a positive-findings-only strategy eliminating posterior collapse; (4) warm bridge initialization transferring projection weights; and (5) selective cross-attention freezing with elastic weight consolidation to prevent catastrophic forgetting. Evaluated on the CT-RATE benchmark (2,984 validation volumes, 18 classes), Ker-VLJEPA-3B achieves a macro F1 of 0.429, surpassing the state-of-the-art (U-VLM, macro F1 = 0.414) by 3.6%, and reaching 0.448 (+8.2%) with threshold optimization. Ablation studies confirm 56.6% of generation quality derives from patient-specific visual content. Code and weights are available.

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter varphi that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between varphi and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of varphi.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA consistently surpasses the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

This paper considers decentralized optimization of convex functions with mixed affine equality constraints involving both local and global variables. Constraints on global variables may vary across different nodes in the network, while local variables are subject to coupled and node-specific constraints. Such problem formulations arise in machine learning applications, including federated learning and multi-task learning, as well as in resource allocation and distributed control. We analyze this problem under smooth and non-smooth assumptions, considering both strongly convex and general convex objective functions. Our main contribution is an optimal algorithm for the smooth, strongly convex regime, whose convergence rate matches established lower complexity bounds. We further provide near-optimal methods for the remaining cases.

The annealing phase is a pivotal convergence stage in LLM pre-training that ultimately determines final model quality. However, effectively selecting training data during this phase remains a key challenge. Current strategies rely on empirical heuristics, such as domain filtering or context extension, which lack a principled grounding in optimization theory. In this work, we characterize the annealing phase through the lens of the loss landscape's spectral geometry. We argue that optimal convergence requires gradient updates to satisfy heterogeneous constraints across different eigen-directions. Building on this insight, we formulate data selection as a problem of satisfying these directional constraints. To this end, we propose DiReCT (Directionally-Restrained Constrained Training), a novel framework that reformulates sample selection in the annealing stage as a constrained optimization problem. By imposing explicit directional constraints on per-sample gradients based on the spectral properties of the Hessian, DiReCT identifies samples that align with the optimal curvature-aware descent path. Extensive experiments across various model scales demonstrate that DiReCT consistently achieves state-of-the-art performance. For future research, code is available at https://github.com/xuyj233/Direct.

In recent years, Reinforcement Learning (RL) has been applied to real-world problems with increasing success. Such applications often require to put constraints on the agent's behavior. Existing algorithms for constrained RL (CRL) rely on gradient descent-ascent, but this approach comes with a caveat. While these algorithms are guaranteed to converge on average, they do not guarantee last-iterate convergence, i.e., the current policy of the agent may never converge to the optimal solution. In practice, it is often observed that the policy alternates between satisfying the constraints and maximizing the reward, rarely accomplishing both objectives simultaneously. Here, we address this problem by introducing Reinforcement Learning with Optimistic Ascent-Descent (ReLOAD), a principled CRL method with guaranteed last-iterate convergence. We demonstrate its empirical effectiveness on a wide variety of CRL problems including discrete MDPs and continuous control. In the process we establish a benchmark of challenging CRL problems.

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, including mixed-precision quantization, non-uniform pruning, and expert selection. The objective, typically model loss, depends jointly on all assignments and does not decompose across groups, preventing combinatorial solvers from directly optimizing the true objective and forcing reliance on proxy formulations. Methods such as evolutionary search evaluate the actual loss but lack gradient information, while penalty-based approaches enforce the budget only approximately and often require extensive hyperparameter tuning. We present a new approach by showing that, under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually simple geometry. The normal vector admits a closed-form expression, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on these properties, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam step with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the actual loss under exact budget enforcement without introducing constraint-specific hyperparameters. Across both synthetic benchmarks and realistic LLM compression settings, RCO matches or exceeds state-of-the-art methods while often requiring substantially less wall-clock time. Source code is available at https://github.com/IST-DASLab/RCO.

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 a general method for improving the convergence rate of gradient-based optimizers that is easy to implement and works well in practice. We demonstrate the effectiveness of the method in a range of optimization problems by applying it to stochastic gradient descent, stochastic gradient descent with Nesterov momentum, and Adam, showing that it significantly reduces the need for the manual tuning of the initial learning rate for these commonly used algorithms. Our method works by dynamically updating the learning rate during optimization using the gradient with respect to the learning rate of the update rule itself. Computing this "hypergradient" needs little additional computation, requires only one extra copy of the original gradient to be stored in memory, and relies upon nothing more than what is provided by reverse-mode automatic differentiation.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.

Optimizing objective functions subject to constraints is fundamental in many real-world applications. However, these constraints are often not readily defined and must be inferred from expert agent behaviors, a problem known as Inverse Constraint Inference. Inverse Constrained Reinforcement Learning (ICRL) is a common solver for recovering feasible constraints in complex environments, relying on training samples collected from interactive environments. However, the efficacy and efficiency of current sampling strategies remain unclear. We propose a strategic exploration framework for sampling with guaranteed efficiency to bridge this gap. By defining the feasible cost set for ICRL problems, we analyze how estimation errors in transition dynamics and the expert policy influence the feasibility of inferred constraints. Based on this analysis, we introduce two exploratory algorithms to achieve efficient constraint inference via 1) dynamically reducing the bounded aggregate error of cost estimations or 2) strategically constraining the exploration policy around plausibly optimal ones. Both algorithms are theoretically grounded with tractable sample complexity, and their performance is validated empirically across various environments.

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.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Existing learning rate schedules that do not require specification of the optimization stopping step T are greatly out-performed by learning rate schedules that depend on T. We propose an approach that avoids the need for this stopping time by eschewing the use of schedules entirely, while exhibiting state-of-the-art performance compared to schedules across a wide family of problems ranging from convex problems to large-scale deep learning problems. Our Schedule-Free approach introduces no additional hyper-parameters over standard optimizers with momentum. Our method is a direct consequence of a new theory we develop that unifies scheduling and iterate averaging. An open source implementation of our method is available (https://github.com/facebookresearch/schedule_free).

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of O(s^{1.5}/N) for the learned multipliers, where s is the number of coupling constraints and N is the sample size. Second, we provide a minimax lower-bound of Ω(s/N), proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate Θ(s/N). Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of Θ(s/N) and establishing a theoretical advantage over direct multiplier prediction.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

Bilevel optimization enjoys a wide range of applications in hyper-parameter optimization, meta-learning and reinforcement learning. However, bilevel optimization problems are difficult to solve. Recent progress on scalable bilevel algorithms mainly focuses on bilevel optimization problems where the lower-level objective is either strongly convex or unconstrained. In this work, we tackle the bilevel problem through the lens of the penalty method. We show that under certain conditions, the penalty reformulation recovers the solutions of the original bilevel problem. Further, we propose the penalty-based bilevel gradient descent (PBGD) algorithm and establish its finite-time convergence for the constrained bilevel problem without lower-level strong convexity. Experiments showcase the efficiency of the proposed PBGD algorithm.

Learning rate schedules used in practice bear little resemblance to those recommended by theory. We close much of this theory/practice gap, and as a consequence are able to derive new problem-adaptive learning rate schedules. Our key technical contribution is a refined analysis of learning rate schedules for a wide class of optimization algorithms (including SGD). In contrast to most prior works that study the convergence of the average iterate, we study the last iterate, which is what most people use in practice. When considering only worst-case analysis, our theory predicts that the best choice is the linear decay schedule: a popular choice in practice that sets the stepsize proportionally to 1 - t/T, where t is the current iteration and T is the total number of steps. To go beyond this worst-case analysis, we use the observed gradient norms to derive schedules refined for any particular task. These refined schedules exhibit learning rate warm-up and rapid learning rate annealing near the end of training. Ours is the first systematic approach to automatically yield both of these properties. We perform the most comprehensive evaluation of learning rate schedules to date, evaluating across 10 diverse deep learning problems, a series of LLMs, and a suite of logistic regression problems. We validate that overall, the linear-decay schedule matches or outperforms all commonly used default schedules including cosine annealing, and that our schedule refinement method gives further improvements.

Recent advances in flow-based offline reinforcement learning (RL) have achieved strong performance by parameterizing policies via flow matching. However, they still face critical trade-offs among expressiveness, optimality, and efficiency. In particular, existing flow policies interpret the L_2 regularization as an upper bound of the 2-Wasserstein distance (W_2), which can be problematic in offline settings. This issue stems from a fundamental geometric mismatch: the behavioral policy manifold is inherently anisotropic, whereas the L_2 (or upper bound of W_2) regularization is isotropic and density-insensitive, leading to systematically misaligned optimization directions. To address this, we revisit offline RL from a geometric perspective and show that policy refinement can be formulated as a local transport map: an initial flow policy augmented by a residual displacement. By analyzing the induced density transformation, we derive a local quadratic approximation of the KL-constrained objective governed by the Fisher information matrix, enabling a tractable anisotropic optimization formulation. By leveraging the score function embedded in the flow velocity, we obtain a corresponding quadratic constraint for efficient optimization. Our results reveal that the optimality gap in prior methods arises from their isotropic approximation. In contrast, our framework achieves a controllable approximation error within a provable neighborhood of the optimal solution. Extensive experiments demonstrate state-of-the-art performance across diverse offline RL benchmarks. See project page: https://github.com/ARC0127/Fisher-Decorator.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

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.

This paper studies online nonstochastic control problems with adversarial and static constraints. We propose online nonstochastic control algorithms that achieve both sublinear regret and sublinear adversarial constraint violation while keeping static constraint violation minimal against the optimal constrained linear control policy in hindsight. To establish the results, we introduce an online convex optimization with memory framework under adversarial and static constraints, which serves as a subroutine for the constrained online nonstochastic control algorithms. This subroutine also achieves the state-of-the-art regret and constraint violation bounds for constrained online convex optimization problems, which is of independent interest. Our experiments demonstrate the proposed control algorithms are adaptive to adversarial constraints and achieve smaller cumulative costs and violations. Moreover, our algorithms are less conservative and achieve significantly smaller cumulative costs than the state-of-the-art algorithm.

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.

Existing reinforcement learning (RL)-based post-training methods for large language models have advanced rapidly, yet their design has largely been guided by heuristics rather than systematic theoretical principles. This gap limits our understanding of the properties of the gradient estimators and the associated optimization algorithms, thereby constraining opportunities to improve training stability and overall performance. In this work, we provide a unified theoretical framework that characterizes the statistical properties of commonly used policy-gradient estimators under mild assumptions. Our analysis establishes unbiasedness, derives exact variance expressions, and yields an optimization-loss upper bound that enables principled reasoning about learning dynamics. Building on these results, we prove convergence guarantees and derive an adaptive learning-rate schedule governed by the signal-to-noise ratio (SNR) of gradients. We further show that the variance-optimal baseline is a gradient-weighted estimator, offering a new principle for variance reduction and naturally enhancing stability beyond existing methods. These insights motivate Optimal Baseline and Learning-Rate Policy Optimization (OBLR-PO), an algorithm that jointly adapts learning rates and baselines in a theoretically grounded manner. Experiments on Qwen3-4B-Base and Qwen3-8B-Base demonstrate consistent gains over existing policy optimization methods, validating that our theoretical contributions translate into practical improvements in large-scale post-training.

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs.

Behavior constrained policy optimization has been demonstrated to be a successful paradigm for tackling Offline Reinforcement Learning. By exploiting historical transitions, a policy is trained to maximize a learned value function while constrained by the behavior policy to avoid a significant distributional shift. In this paper, we propose our closed-form policy improvement operators. We make a novel observation that the behavior constraint naturally motivates the use of first-order Taylor approximation, leading to a linear approximation of the policy objective. Additionally, as practical datasets are usually collected by heterogeneous policies, we model the behavior policies as a Gaussian Mixture and overcome the induced optimization difficulties by leveraging the LogSumExp's lower bound and Jensen's Inequality, giving rise to a closed-form policy improvement operator. We instantiate offline RL algorithms with our novel policy improvement operators and empirically demonstrate their effectiveness over state-of-the-art algorithms on the standard D4RL benchmark. Our code is available at https://cfpi-icml23.github.io/.

A unified framework for first-order optimization algorithms fornonconvex unconstrained optimization is proposed that uses adaptivelypreconditioned gradients and includes popular methods such as full anddiagonal AdaGrad, AdaNorm, as well as adpative variants of Shampoo andMuon. This framework also allows combining heterogeneous geometriesacross different groups of variables while preserving a unifiedconvergence analysis. A fully stochastic global rate-of-convergenceanalysis is conducted for all methods in the framework, with andwithout two types of momentum, using reasonable assumptions on thevariance of the gradient oracle and without assuming boundedstochastic gradients or small enough stepsize.

Optimizing high-dimensional black-box functions under black-box constraints is a pervasive task in a wide range of scientific and engineering problems. These problems are typically harder than unconstrained problems due to hard-to-find feasible regions. In this work, we reformulate constrained black-box optimization as posterior inference, and perform this inference in the latent space of generative models. Our method iterates through two stages. First, we train flow-based models to capture the data distribution and surrogate models that predict both function values and constraint violations. Second, we cast the candidate selection problem as a posterior inference problem to effectively search for promising candidates that have high objective values while not violating the constraints. Concretely, we utilize outsourced diffusion models to amortize the sampling from the posterior distribution in the latent space of flow-based models, which can bypass the issue of mode collapse. We empirically demonstrate that our method achieves superior performance across synthetic and real-world tasks. Our code is available https://github.com/umkiyoung/CiBO{here}.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Optimization analyses for cross-entropy training rely on local Taylor models of the loss to predict whether a proposed step will decrease the objective. These surrogates are reliable only inside the Taylor convergence radius of the true loss along the update direction. That radius is set not by real-line curvature alone but by the nearest complex singularity. For cross-entropy, the softmax partition function F=sum_j exp(z_j) has complex zeros -- ``ghosts of softmax'' -- that induce logarithmic singularities in the loss and cap this radius. To make this geometry usable, we derive closed-form expressions under logit linearization along the proposed update direction. In the binary case, the exact radius is ρ^*=δ^2+ π^2/Δ_a. In the multiclass case, we obtain the lower bound ρ_a=π/Δ_a, where Δ_a=max_k a_k-min_k a_k is the spread of directional logit derivatives a_k=nabla z_kcdot v. This bound costs one Jacobian-vector product and reveals what makes a step fragile: samples that are both near a decision flip and highly sensitive to the proposed direction tighten the radius. The normalized step size r=τ/ρ_a separates safe from dangerous updates. Across six tested architectures and multiple step directions, no model fails for r<1, yet collapse appears once rge 1. Temperature scaling confirms the mechanism: normalizing by ρ_a shrinks the onset-threshold spread from standard deviation 0.992 to 0.164. A controller that enforces τleρ_a survives learning-rate spikes up to 10{,} 000times in our tests, where gradient clipping still collapses. Together, these results identify a geometric constraint on cross-entropy optimization that operates through Taylor convergence rather than Hessian curvature.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

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.

We study first-order methods for solving monotone variational inequalities arising in min-max optimization. Classical approaches such as the extragradient method rely on two gradient queries per iteration, which limits their analysis and applicability in the online and stochastic settings. We propose a family of Generalized Optimistic Methods with Anchoring (GOMA), which combine two-time-scale optimistic updates with an anchoring term inspired by Halpern iteration. In the deterministic setting, GOMA achieves the optimal accelerated last-iterate rate O(1/k^2) on the squared gradient norm for monotone Lipschitz operators. In the stochastic setting with unbounded variance, a simplified single-call variant of GOMA achieves a last-iterate convergence rate of O(1/k) on the squared gradient norm. To the best of our knowledge, this is the first such guarantee for stochastic monotone Lipschitz variational inequalities in the unconstrained setting without variance reduction or growing batches.

Model pruning is a popular approach to enable the deployment of large deep learning models on edge devices with restricted computational or storage capacities. Although sparse models achieve performance comparable to that of their dense counterparts at the level of the entire dataset, they exhibit high accuracy drops for some data sub-groups. Existing methods to mitigate this disparate impact induced by pruning (i) rely on surrogate metrics that address the problem indirectly and have limited interpretability; or (ii) scale poorly with the number of protected sub-groups in terms of computational cost. We propose a constrained optimization approach that directly addresses the disparate impact of pruning: our formulation bounds the accuracy change between the dense and sparse models, for each sub-group. This choice of constraints provides an interpretable success criterion to determine if a pruned model achieves acceptable disparity levels. Experimental results demonstrate that our technique scales reliably to problems involving large models and hundreds of protected sub-groups.

The high cost of fine-tuning LLMs poses a significant economic barrier; pre-hoc performance prediction offers a critical solution to substantially reduce this expense. However, the theoretical limits of pre-hoc performance prediction remain unexplored. We formulate it as a stochastic estimation problem under information constraints, decomposing prediction risk into two components: an intrinsic limit (static data-model compatibility) and a reducible optimization variance. We prove that optimization variance admits a necessary lower bound on its decay rate, implying fundamental constraints on how quickly uncertainty dissipates, regardless of the predictor used. Based on these dynamics, we derive a budget-optimal probing principle and introduce a predictability phase diagram that organizes tasks into three distinct regimes: Static-Sufficient, Dynamic-Critical, and Noise-Dominant. Extensive experiments on synthetic and real-world benchmarks validate these theoretical regimes and demonstrate the efficiency of our probing strategy.

We analyze Newton's method with lazy Hessian updates for solving general possibly non-convex optimization problems. We propose to reuse a previously seen Hessian for several iterations while computing new gradients at each step of the method. This significantly reduces the overall arithmetical complexity of second-order optimization schemes. By using the cubic regularization technique, we establish fast global convergence of our method to a second-order stationary point, while the Hessian does not need to be updated each iteration. For convex problems, we justify global and local superlinear rates for lazy Newton steps with quadratic regularization, which is easier to compute. The optimal frequency for updating the Hessian is once every d iterations, where d is the dimension of the problem. This provably improves the total arithmetical complexity of second-order algorithms by a factor d.

We introduce a novel approach to large language model (LLM) distillation by formulating it as a constrained reinforcement learning problem. While recent work has begun exploring the integration of task-specific rewards into distillation processes, existing methods typically rely on ad-hoc reward weighting. We propose a principled optimization framework that maximizes task-specific rewards while constraining the divergence from the teacher model to remain below a specified threshold. Our approach adapts constrained state augmented reinforcement learning to the distillation setting, introducing a modified reward function that maintains theoretical guarantees of constraint satisfaction without requiring state augmentation or teacher model access during deployment and without the computational overhead of the dual Lagrangian methods. Through extensive experiments on mathematical reasoning tasks, we demonstrate that our method achieves better constraint satisfaction rates and better reasoning compared to the soft Lagrangian relaxation baselines while maintaining competitive task performance. Our framework provides a theoretically grounded and practically efficient solution for reward-aware distillation in resource-constrained settings.

Inference-time scaling has emerged as a critical avenue for enhancing Large Language Models' performance, yet real-world deployment is constrained by strict computational budgets. In this work, we formulate inference budget allocation as a global constrained optimization problem governed by economic principles. By modeling per-query reasoning utility with a shifted-surge function, we derive an optimal allocation policy based on a global shadow price that equilibrates marginal utility under resource scarcity. Based on this theory, we propose Constrained Latent-utility Equilibrium Allocation for Reasoning (CLEAR). It performs rational abandonment and reallocates resources from insolvent queries to solvable queries near their emergence thresholds. Extensive experiments on several reasoning tasks with different traffic streams demonstrate that CLEAR significantly improves the Pareto frontier of total token cost versus mean accuracy. In resource-scarce regimes, CLEAR achieves up to a 3x improvement in global accuracy compared to uniform allocation.

Trajectory optimization offers mature tools for motion planning in high-dimensional spaces under dynamic constraints. However, when facing complex configuration spaces, cluttered with obstacles, roboticists typically fall back to sampling-based planners that struggle in very high dimensions and with continuous differential constraints. Indeed, obstacles are the source of many textbook examples of problematic nonconvexities in the trajectory-optimization problem. Here we show that convex optimization can, in fact, be used to reliably plan trajectories around obstacles. Specifically, we consider planning problems with collision-avoidance constraints, as well as cost penalties and hard constraints on the shape, the duration, and the velocity of the trajectory. Combining the properties of Bézier curves with a recently-proposed framework for finding shortest paths in Graphs of Convex Sets (GCS), we formulate the planning problem as a compact mixed-integer optimization. In stark contrast with existing mixed-integer planners, the convex relaxation of our programs is very tight, and a cheap rounding of its solution is typically sufficient to design globally-optimal trajectories. This reduces the mixed-integer program back to a simple convex optimization, and automatically provides optimality bounds for the planned trajectories. We name the proposed planner GCS, after its underlying optimization framework. We demonstrate GCS in simulation on a variety of robotic platforms, including a quadrotor flying through buildings and a dual-arm manipulator (with fourteen degrees of freedom) moving in a confined space. Using numerical experiments on a seven-degree-of-freedom manipulator, we show that GCS can outperform widely-used sampling-based planners by finding higher-quality trajectories in less time.

Proximal constraints are fundamental to the stability of the Large Language Model reinforcement learning. While the canonical clipping mechanism in PPO serves as an efficient surrogate for trust regions, we identify a critical bottleneck: fixed bounds strictly constrain the upward update margin of low-probability actions, disproportionately suppressing high-advantage tail strategies and inducing rapid entropy collapse. To address this, we introduce Band-constrained Policy Optimization (BandPO). BandPO replaces canonical clipping with Band, a unified theoretical operator that projects trust regions defined by f-divergences into dynamic, probability-aware clipping intervals. Theoretical analysis confirms that Band effectively resolves this exploration bottleneck. We formulate this mapping as a convex optimization problem, guaranteeing a globally optimal numerical solution while deriving closed-form solutions for specific divergences. Extensive experiments across diverse models and datasets demonstrate that BandPO consistently outperforms canonical clipping and Clip-Higher, while robustly mitigating entropy collapse.

We study bandit best-arm identification with arbitrary and potentially adversarial rewards. A simple random uniform learner obtains the optimal rate of error in the adversarial scenario. However, this type of strategy is suboptimal when the rewards are sampled stochastically. Therefore, we ask: Can we design a learner that performs optimally in both the stochastic and adversarial problems while not being aware of the nature of the rewards? First, we show that designing such a learner is impossible in general. In particular, to be robust to adversarial rewards, we can only guarantee optimal rates of error on a subset of the stochastic problems. We give a lower bound that characterizes the optimal rate in stochastic problems if the strategy is constrained to be robust to adversarial rewards. Finally, we design a simple parameter-free algorithm and show that its probability of error matches (up to log factors) the lower bound in stochastic problems, and it is also robust to adversarial ones.

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.

Smoothness is crucial for attaining fast rates in first-order optimization. However, many optimization problems in modern machine learning involve non-smooth objectives. Recent studies relax the smoothness assumption by allowing the Lipschitz constant of the gradient to grow with respect to the gradient norm, which accommodates a broad range of objectives in practice. Despite this progress, existing generalizations of smoothness are restricted to Euclidean geometry with ell_2-norm and only have theoretical guarantees for optimization in the Euclidean space. In this paper, we address this limitation by introducing a new ell*-smoothness concept that measures the norm of Hessians in terms of a general norm and its dual, and establish convergence for mirror-descent-type algorithms, matching the rates under the classic smoothness. Notably, we propose a generalized self-bounding property that facilitates bounding the gradients via controlling suboptimality gaps, serving as a principal component for convergence analysis. Beyond deterministic optimization, we establish sharp convergence for stochastic mirror descent, matching state-of-the-art under classic smoothness. Our theory also extends to non-convex and composite optimization, which may shed light on practical usages of mirror descent, including pre-training and post-training of LLMs.

Let p denote a generative language model. Let r denote a reward model that returns a scalar that captures the degree at which a draw from p is preferred. The goal of language model alignment is to alter p to a new distribution phi that results in a higher expected reward while keeping phi close to p. A popular alignment method is the KL-constrained reinforcement learning (RL), which chooses a distribution phi_Delta that maximizes E_{phi_{Delta}} r(y) subject to a relative entropy constraint KL(phi_Delta || p) leq Delta. Another simple alignment method is best-of-N, where N samples are drawn from p and one with highest reward is selected. In this paper, we offer a closed-form characterization of the optimal KL-constrained RL solution. We demonstrate that any alignment method that achieves a comparable trade-off between KL divergence and reward must approximate the optimal KL-constrained RL solution in terms of relative entropy. To further analyze the properties of alignment methods, we introduce two simplifying assumptions: we let the language model be memoryless, and the reward model be linear. Although these assumptions may not reflect complex real-world scenarios, they enable a precise characterization of the asymptotic behavior of both the best-of-N alignment, and the KL-constrained RL method, in terms of information-theoretic quantities. We prove that the reward of the optimal KL-constrained RL solution satisfies a large deviation principle, and we fully characterize its rate function. We also show that the rate of growth of the scaled cumulants of the reward is characterized by a proper Renyi cross entropy. Finally, we show that best-of-N is asymptotically equivalent to KL-constrained RL solution by proving that their expected rewards are asymptotically equal, and concluding that the two distributions must be close in KL divergence.

We study first-order methods for convex optimization problems with functions f satisfying the recently proposed ell-smoothness condition ||nabla^{2}f(x)|| le ellleft(||nabla f(x)||right), which generalizes the L-smoothness and (L_{0},L_{1})-smoothness. While accelerated gradient descent AGD is known to reach the optimal complexity O(L R / varepsilon) under L-smoothness, where varepsilon is an error tolerance and R is the distance between a starting and an optimal point, existing extensions to ell-smoothness either incur extra dependence on the initial gradient, suffer exponential factors in L_{1} R, or require costly auxiliary sub-routines, leaving open whether an AGD-type O(ell(0) R / varepsilon) rate is possible for small-varepsilon, even in the (L_{0},L_{1})-smoothness case. We resolve this open question. Leveraging a new Lyapunov function and designing new algorithms, we achieve O(ell(0) R / varepsilon) oracle complexity for small-varepsilon and virtually any ell. For instance, for (L_{0},L_{1})-smoothness, our bound O(L_0 R / varepsilon) is provably optimal in the small-varepsilon regime and removes all non-constant multiplicative factors present in prior accelerated algorithms.

Direct Preference Optimization (DPO) has emerged as a popular alternative to Reinforcement Learning from Human Feedback (RLHF), offering theoretical equivalence with simpler implementation. We prove this equivalence is conditional rather than universal, depending on an implicit assumption frequently violated in practice: the RLHF-optimal policy must prefer human-preferred responses. When this assumption fails, DPO optimizes relative advantage over the reference policy rather than absolute alignment with human preferences, leading to pathological convergence where policies decrease DPO loss while preferring dispreferred responses. We characterize when this assumption is violated, show the existence of an undesirable solution space, and prove that DPO and RLHF optimize fundamentally different objectives in such cases. To address this, we introduce Constrained Preference Optimization (CPO), augmenting RLHF with constraints for provable alignment. We further provide a geometric interpretation through soft margin ranking, revealing that DPO implements margin ranking with potentially negative targets. Our theoretical analysis establishes when DPOs' guarantees hold and provides solutions preserving simplicity with provable alignment. Comprehensive experiments on standard benchmarks demonstrate that CPO achieves state-of-the-art performance. Code is available at: https://github.com/visitworld123/CPO.

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.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

Online allocation problems with resource constraints are central problems in revenue management and online advertising. In these problems, requests arrive sequentially during a finite horizon and, for each request, a decision maker needs to choose an action that consumes a certain amount of resources and generates reward. The objective is to maximize cumulative rewards subject to a constraint on the total consumption of resources. In this paper, we consider a data-driven setting in which the reward and resource consumption of each request are generated using an input model that is unknown to the decision maker. We design a general class of algorithms that attain good performance in various input models without knowing which type of input they are facing. In particular, our algorithms are asymptotically optimal under independent and identically distributed inputs as well as various non-stationary stochastic input models, and they attain an asymptotically optimal fixed competitive ratio when the input is adversarial. Our algorithms operate in the Lagrangian dual space: they maintain a dual multiplier for each resource that is updated using online mirror descent. By choosing the reference function accordingly, we recover the dual sub-gradient descent and dual multiplicative weights update algorithm. The resulting algorithms are simple, fast, and do not require convexity in the revenue function, consumption function and action space, in contrast to existing methods for online allocation problems. We discuss applications to network revenue management, online bidding in repeated auctions with budget constraints, online proportional matching with high entropy, and personalized assortment optimization with limited inventory.

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.

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.

We study the computational complexity of approximating general constrained Markov decision processes. Our primary contribution is the design of a polynomial time (0,ε)-additive bicriteria approximation algorithm for finding optimal constrained policies across a broad class of recursively computable constraints, including almost-sure, chance, expectation, and their anytime variants. Matching lower bounds imply our approximation guarantees are optimal so long as P neq NP. The generality of our approach results in answers to several long-standing open complexity questions in the constrained reinforcement learning literature. Specifically, we are the first to prove polynomial-time approximability for the following settings: policies under chance constraints, deterministic policies under multiple expectation constraints, policies under non-homogeneous constraints (i.e., constraints of different types), and policies under constraints for continuous-state processes.

Trajectory planning is commonly used as part of a local planner in autonomous driving. This paper considers the problem of planning a continuous-curvature-rate trajectory between fixed start and goal states that minimizes a tunable trade-off between passenger comfort and travel time. The problem is an instance of infinite dimensional optimization over two continuous functions: a path, and a velocity profile. We propose a simplification of this problem that facilitates the discretization of both functions. This paper also proposes a method to quickly generate minimal-length paths between start and goal states based on a single tuning parameter: the second derivative of curvature. Furthermore, we discretize the set of velocity profiles along a given path into a selection of acceleration way-points along the path. Gradient-descent is then employed to minimize cost over feasible choices of the second derivative of curvature, and acceleration way-points, resulting in a method that repeatedly solves the path and velocity profiles in an iterative fashion. Numerical examples are provided to illustrate the benefits of the proposed methods.

Primal-dual safe RL methods commonly perform iterations between the primal update of the policy and the dual update of the Lagrange Multiplier. Such a training paradigm is highly susceptible to the error in cumulative cost estimation since this estimation serves as the key bond connecting the primal and dual update processes. We show that this problem causes significant underestimation of cost when using off-policy methods, leading to the failure to satisfy the safety constraint. To address this issue, we propose conservative policy optimization, which learns a policy in a constraint-satisfying area by considering the uncertainty in cost estimation. This improves constraint satisfaction but also potentially hinders reward maximization. We then introduce local policy convexification to help eliminate such suboptimality by gradually reducing the estimation uncertainty. We provide theoretical interpretations of the joint coupling effect of these two ingredients and further verify them by extensive experiments. Results on benchmark tasks show that our method not only achieves an asymptotic performance comparable to state-of-the-art on-policy methods while using much fewer samples, but also significantly reduces constraint violation during training. Our code is available at https://github.com/ZifanWu/CAL.

We address the problem of finite-horizon control of a discrete-time linear system, where the initial state distribution follows a Gaussian mixture model, the terminal state must follow a specified Gaussian distribution, and the state and control inputs must obey chance constraints. We show that, throughout the time horizon, the state and control distributions are fully characterized by Gaussian mixtures. We then formulate the cost, distributional terminal constraint, and affine/2-norm chance constraints on the state and control, as convex functions of the decision variables. This is leveraged to formulate the chance-constrained path planning problem as a single convex optimization problem. A numerical example demonstrates the effectiveness of the proposed method.

Reinforcement Learning, particularly through policy gradient methods, has played a central role in enabling reasoning capabilities of Large Language Models. However, the optimization stability of policy gradients in this setting remains understudied. As a result, existing implementations often resort to conservative hyperparameter choices to ensure stability, which requires more training samples and increases computational costs. Hence, developing models for reliably tracking the underlying optimization dynamics and leveraging them into training enables more sample-efficient regimes and further unleashes scalable post-training. We address this gap by formalizing the stochastic optimization problem of policy gradients with explicit consideration of second-order geometry. We propose a tractable computational framework that tracks and leverages curvature information during policy updates. We further employ this framework to design interventions in the optimization process through data selection. The resultant algorithm, Curvature-Aware Policy Optimization (CAPO), identifies samples that contribute to unstable updates and masks them out. Theoretically, we establish monotonic improvement guarantees under realistic assumptions. On standard math reasoning benchmarks, we empirically show that CAPO ensures stable updates under aggressive learning regimes where baselines catastrophically fail. With minimal intervention (rejecting fewer than 8% of tokens), CAPO achieves up to 30x improvement in sample efficiency over standard GRPO for LLM reasoning.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

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.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

Training modern neural networks is increasingly fragile, with rare but severe destabilizing updates often causing irreversible divergence or silent performance degradation. Existing optimization methods primarily rely on preventive mechanisms embedded within the optimizer, offering limited ability to detect and recover from instability once it occurs. We introduce a supervisory runtime stability framework that treats optimization as a controlled stochastic process. By isolating an innovation signal derived from secondary measurements, such as validation probes, the framework enables automatic detection and recovery from destabilizing updates without modifying the underlying optimizer. We provide theoretical runtime safety guarantees that formalize bounded degradation and recovery. Our implementation incurs minimal overhead and is compatible with memory-constrained training settings.

We consider stochastic unconstrained bilevel optimization problems when only the first-order gradient oracles are available. While numerous optimization methods have been proposed for tackling bilevel problems, existing methods either tend to require possibly expensive calculations regarding Hessians of lower-level objectives, or lack rigorous finite-time performance guarantees. In this work, we propose a Fully First-order Stochastic Approximation (F2SA) method, and study its non-asymptotic convergence properties. Specifically, we show that F2SA converges to an epsilon-stationary solution of the bilevel problem after epsilon^{-7/2}, epsilon^{-5/2}, and epsilon^{-3/2} iterations (each iteration using O(1) samples) when stochastic noises are in both level objectives, only in the upper-level objective, and not present (deterministic settings), respectively. We further show that if we employ momentum-assisted gradient estimators, the iteration complexities can be improved to epsilon^{-5/2}, epsilon^{-4/2}, and epsilon^{-3/2}, respectively. We demonstrate even superior practical performance of the proposed method over existing second-order based approaches on MNIST data-hypercleaning experiments.

Fine granularity is an essential requirement for controllable text generation, which has seen rapid growth with the ability of LLMs. However, existing methods focus mainly on a small set of attributes like 3 to 5, and their performance degrades significantly when the number of attributes increases to the next order of magnitude. To address this challenge, we propose a novel zero-shot approach for extremely fine-grained controllable generation (EFCG), proposing auto-reconstruction (AR) and global preference optimization (GPO). In the AR phase, we leverage LLMs to extract soft attributes (e.g., Emphasis on simplicity and minimalism in design) from raw texts, and combine them with programmatically derived hard attributes (e.g., The text should be between 300 and 400 words) to construct massive (around 45) multi-attribute requirements, which guide the fine-grained text reconstruction process under weak supervision. In the GPO phase, we apply direct preference optimization (DPO) to refine text generation under diverse attribute combinations, enabling efficient exploration of the global combination space. Additionally, we introduce an efficient attribute sampling strategy to identify and correct potentially erroneous attributes, further improving global optimization. Our framework significantly improves the constraint satisfaction rate (CSR) and text quality for EFCG by mitigating position bias and alleviating attention dilution.

Distributed training of foundation models via DDP is limited by interconnect bandwidth. While infrequent communication strategies reduce synchronization frequency, they remain bottlenecked by the memory and communication requirements of optimizer states. Low-rank optimizers can alleviate these constraints; however, in the local-update regime, workers lack access to the full-batch gradients required to compute low-rank projections, which degrades performance. We propose LoRDO, a principled framework unifying low-rank optimization with infrequent synchronization. We first demonstrate that, while global projections based on pseudo-gradients are theoretically superior, they permanently restrict the optimization trajectory to a low-rank subspace. To restore subspace exploration, we introduce a full-rank quasi-hyperbolic update. LoRDO achieves near-parity with low-rank DDP in language modeling and downstream tasks at model scales of 125M--720M, while reducing communication by approx 10 times. Finally, we show that LoRDO improves performance even more in very low-memory settings with small rank/batch size.

Reinforcement learning for large language models faces a fundamental trade-off between sample efficiency and asymptotic performance: strictly on-policy methods discard trajectories after a single update, while off-policy reuse introduces distribution mismatch that existing trust-region techniques mitigate primarily by enforcing conservative optimization, often leaving rich training signals underutilized. To investigate this, we perform extensive off-policy updates on fixed data. Our experiments reveal that aggressive multi-step optimization brings rapid initial gains, but excessive updates cause trajectory probabilities to deviate and entropy to collapse, with performance plateauing early. Tightening KL constraints merely lowers the ceiling without resolving the degradation. This motivates Extreme Region Policy Distillation (ERPD), a two-stage framework that decouples sample efficiency from KL efficiency. The first stage performs weakly constrained off-policy optimization on fixed data to maximally extract training signals. The resulting policy provides token-level supervision. In the second stage, we distill these signals into the base policy under trust-region constraints, filtering harmful drift while preserving useful signals. The distilled policy achieves comparable or better performance with substantially smaller KL divergence, indicating that much of the first-stage divergence was spent on unnecessary drift rather than genuine improvement. Crucially, ERPD accommodates both strong and weak teachers: when aggressive optimization yields no stronger policy, even degenerate teachers provide effective supervision via alternative signal construction strategies. We validate ERPD on mathematical reasoning, showing gains for strong base models where on-policy training plateaus, and reliable improvements with weak teachers.

We study optimal learning-rate selection in two-layer and three-layer linear neural networks trained to learn linear target functions. In particular, we derive the exact closed-form expressions for the gradients and test loss after one and two steps of gradient descent, enabling a precise characterization of early training dynamics. We characterize how learning rates should scale under the gradient approximation in the first two steps, and prove that performing updates with this approximation yields a tractable surrogate loss with a tight, small approximation error. This formulation enables the theoretical analysis of layer-wise learning rates and reveals a distinct early-training regime: test loss can be minimized by unequal learning rates at the initial step, while equal learning rates become optimal in subsequent steps. Our numerical experiments validate the theory and demonstrate the importance of balancing layer-wise learning rates early during training. The code is available at: https://github.com/TDCSZ327/Layer-Balancing.

We propose constrained causal Bayesian optimization (cCBO), an approach for finding interventions in a known causal graph that optimize a target variable under some constraints. cCBO first reduces the search space by exploiting the graph structure and, if available, an observational dataset; and then solves the restricted optimization problem by modelling target and constraint quantities using Gaussian processes and by sequentially selecting interventions via a constrained expected improvement acquisition function. We propose different surrogate models that enable to integrate observational and interventional data while capturing correlation among effects with increasing levels of sophistication. We evaluate cCBO on artificial and real-world causal graphs showing successful trade off between fast convergence and percentage of feasible interventions.

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.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Deep learning practitioners often operate on a computational and monetary budget. Thus, it is critical to design optimization algorithms that perform well under any budget. The linear learning rate schedule is considered the best budget-aware schedule, as it outperforms most other schedules in the low budget regime. On the other hand, learning rate schedules -- such as the 30-60-90 step schedule -- are known to achieve high performance when the model can be trained for many epochs. Yet, it is often not known a priori whether one's budget will be large or small; thus, the optimal choice of learning rate schedule is made on a case-by-case basis. In this paper, we frame the learning rate schedule selection problem as a combination of i) selecting a profile (i.e., the continuous function that models the learning rate schedule), and ii) choosing a sampling rate (i.e., how frequently the learning rate is updated/sampled from this profile). We propose a novel profile and sampling rate combination called the Reflected Exponential (REX) schedule, which we evaluate across seven different experimental settings with both SGD and Adam optimizers. REX outperforms the linear schedule in the low budget regime, while matching or exceeding the performance of several state-of-the-art learning rate schedules (linear, step, exponential, cosine, step decay on plateau, and OneCycle) in both high and low budget regimes. Furthermore, REX requires no added computation, storage, or hyperparameters.

In multi-fidelity optimization, biased approximations of varying costs of the target function are available. This paper studies the problem of optimizing a locally smooth function with a limited budget, where the learner has to make a tradeoff between the cost and the bias of these approximations. We first prove lower bounds for the simple regret under different assumptions on the fidelities, based on a cost-to-bias function. We then present the Kometo algorithm which achieves, with additional logarithmic factors, the same rates without any knowledge of the function smoothness and fidelity assumptions, and improves previously proven guarantees. We finally empirically show that our algorithm outperforms previous multi-fidelity optimization methods without the knowledge of problem-dependent parameters.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

The computational study of equilibria involving constraints on players' strategies has been largely neglected. However, in real-world applications, players are usually subject to constraints ruling out the feasibility of some of their strategies, such as, e.g., safety requirements and budget caps. Computational studies on constrained versions of the Nash equilibrium have lead to some results under very stringent assumptions, while finding constrained versions of the correlated equilibrium (CE) is still unexplored. In this paper, we introduce and computationally characterize constrained Phi-equilibria -- a more general notion than constrained CEs -- in normal-form games. We show that computing such equilibria is in general computationally intractable, and also that the set of the equilibria may not be convex, providing a sharp divide with unconstrained CEs. Nevertheless, we provide a polynomial-time algorithm for computing a constrained (approximate) Phi-equilibrium maximizing a given linear function, when either the number of constraints or that of players' actions is fixed. Moreover, in the special case in which a player's constraints do not depend on other players' strategies, we show that an exact, function-maximizing equilibrium can be computed in polynomial time, while one (approximate) equilibrium can be found with an efficient decentralized no-regret learning algorithm.

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

The class of direct preference optimization (DPO) algorithms has emerged as a promising approach for solving the alignment problem in foundation models. These algorithms work with very limited feedback in the form of pairwise preferences and fine-tune models to align with these preferences without explicitly learning a reward model. While the form of feedback used by these algorithms makes the data collection process easy and relatively more accurate, its ambiguity in terms of the quality of responses could have negative implications. For example, it is not clear if a decrease (increase) in the likelihood of preferred (dispreferred) responses during the execution of these algorithms could be interpreted as a positive or negative phenomenon. In this paper, we study how to design algorithms that can leverage additional information in the form of rating gap, which informs the learner how much the chosen response is better than the rejected one. We present new algorithms that can achieve faster statistical rates than DPO in presence of accurate rating gap information. Moreover, we theoretically prove and empirically show that the performance of our algorithms is robust to inaccuracy in rating gaps. Finally, we demonstrate the solid performance of our methods in comparison to a number of DPO-style algorithms across a wide range of LLMs and evaluation benchmarks.

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.

Aligning generative flow models on continuous spaces via online reinforcement learning is constrained by intractable trajectory likelihoods. Existing density-approximated policy gradient methods rely on stochastic SDE samplers to construct tractable transition kernels, which introduce training-inference inconsistencies and necessitates Classifier-Free Guidance (CFG). While implicit frameworks such as DiffusionNFT directly optimize forward-process velocity fields, its heuristic fixed-magnitude corrections prevent optimization strength from relative intra-group quality. We propose Flow Advantage-Weighted Rectification (FlowAWR), a paradigm that recasts continuous generative policy optimization as supervised regression toward a theoretically optimal velocity field. Starting from the optimal policy of a KL-constrained reward maximization, FlowAWR derives the optimal velocity field that admits a magnitude-aware, advantage-weighted rectification form, yielding SDE-free optimization and CFG-free generation. In comparative evaluations on SD3.5-Medium, FlowAWR achieves improved alignment performance alongside a 2times to 5times convergence acceleration over DiffusionNFT (e.g., reaching a 24.12 PickScore in 1.2k steps, versus 23.82 in 2.0k steps for DiffusionNFT and 23.50 in >4k steps for FlowGRPO). Under multi-reward constraints, FlowAWR sustains generation quality, satisfying structural rules while maintaining stable out-of-domain performance.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

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.

The growing safety concerns surrounding large language models raise an urgent need to align them with diverse human preferences to simultaneously enhance their helpfulness and safety. A promising approach is to enforce safety constraints through Reinforcement Learning from Human Feedback (RLHF). For such constrained RLHF, typical Lagrangian-based primal-dual policy optimization methods are computationally expensive and often unstable. This paper presents a perspective of dualization that reduces constrained alignment to an equivalent unconstrained alignment problem. We do so by pre-optimizing a smooth and convex dual function that has a closed form. This shortcut eliminates the need for cumbersome primal-dual policy iterations, greatly reducing the computational burden and improving training stability. Our strategy leads to two practical algorithms in model-based and preference-based settings (MoCAN and PeCAN, respectively). A broad range of experiments demonstrate the effectiveness and merits of our algorithms.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

We study the problem of black-box optimization of a function f of any dimension, given function evaluations perturbed by noise. The function is assumed to be locally smooth around one of its global optima, but this smoothness is unknown. Our contribution is an adaptive optimization algorithm, POO or parallel optimistic optimization, that is able to deal with this setting. POO performs almost as well as the best known algorithms requiring the knowledge of the smoothness. Furthermore, POO works for a larger class of functions than what was previously considered, especially for functions that are difficult to optimize, in a very precise sense. We provide a finite-time analysis of POO's performance, which shows that its error after n evaluations is at most a factor of sqrt(ln n) away from the error of the best known optimization algorithms using the knowledge of the smoothness.

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.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) lies in the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation in each training step. While existing methods approximate the log-likelihoods by their evidence lower bounds (ELBOs) via customized Monte Carlo (MC) sampling, the forward computational graphs of all MC samples need to be retained for the gradient computation of non-linear terms in the RL objective, resulting in significant memory overhead. This constraint restricts feasible sample sizes, leading to imprecise likelihood approximations and ultimately distorting the RL objective. To overcome this limitation, we propose Boundary-Guided Policy Optimization (BGPO), a memory-efficient RL algorithm that maximizes a specially constructed lower bound of the ELBO-based objective. This lower bound is carefully designed to satisfy two key properties: (1) Linearity: it is formulated in a linear sum where each term depends only on a single MC sample, thereby enabling gradient accumulation across samples and ensuring constant memory usage; (2) Equivalence: Both the value and gradient of this lower bound are equal to those of the ELBO-based objective in on-policy training, making it also an effective approximation for the original RL objective. These properties allow BGPO to adopt a large MC sample size, resulting in more accurate likelihood approximations and improved RL objective estimation, which in turn leads to enhanced performance. Experiments show that BGPO significantly outperforms previous RL algorithms for dLLMs in math problem solving, code generation, and planning tasks.

The notion of omnipredictors (Gopalan, Kalai, Reingold, Sharan and Wieder ITCS 2021), suggested a new paradigm for loss minimization. Rather than learning a predictor based on a known loss function, omnipredictors can easily be post-processed to minimize any one of a rich family of loss functions compared with the loss of hypotheses in a class mathcal C. It has been shown that such omnipredictors exist and are implied (for all convex and Lipschitz loss functions) by the notion of multicalibration from the algorithmic fairness literature. In this paper, we introduce omnipredictors for constrained optimization and study their complexity and implications. The notion that we introduce allows the learner to be unaware of the loss function that will be later assigned as well as the constraints that will be later imposed, as long as the subpopulations that are used to define these constraints are known. We show how to obtain omnipredictors for constrained optimization problems, relying on appropriate variants of multicalibration. We also investigate the implications of this notion when the constraints used are so-called group fairness notions.

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

Incorporating safety is an essential prerequisite for broadening the practical applications of reinforcement learning in real-world scenarios. To tackle this challenge, Constrained Markov Decision Processes (CMDPs) are leveraged, which introduce a distinct cost function representing safety violations. In CMDPs' settings, Lagrangian relaxation technique has been employed in previous algorithms to convert constrained optimization problems into unconstrained dual problems. However, these algorithms may inaccurately predict unsafe behavior, resulting in instability while learning the Lagrange multiplier. This study introduces a novel safe reinforcement learning algorithm, Safety Critic Policy Optimization (SCPO). In this study, we define the safety critic, a mechanism that nullifies rewards obtained through violating safety constraints. Furthermore, our theoretical analysis indicates that the proposed algorithm can automatically balance the trade-off between adhering to safety constraints and maximizing rewards. The effectiveness of the SCPO algorithm is empirically validated by benchmarking it against strong baselines.

Agentic systems increasingly solve complex user requests by executing orchestrated workflows, where subtasks are assigned to specialized models or tools and coordinated according to their dependencies. While recent work improves agent efficiency by optimizing the performance--cost--latency frontier, real deployments often impose concrete requirements: a workflow must be completed within a specified budget and before a specified deadline. This shifts the goal from average efficiency optimization to maximizing the probability that the entire workflow completes successfully under explicit budget and deadline constraints. We study constraint-driven online resource allocation for agentic workflows. Given a dependency-structured workflow and estimates of success rates and generation lengths for each subtask--model pair, the executor allocates models and parallel samples across simultaneously executable subtasks while managing the remaining budget and time. We formulate this setting as a finite-horizon stochastic online allocation problem and propose Monte Carlo Portfolio Planning (MCPP), a lightweight closed-loop planner that directly estimates constrained completion probability through simulated workflow executions and replans after observed outcomes. Experiments on CodeFlow and ProofFlow demonstrate that MCPP consistently improves constrained completion probability over strong baselines across a wide range of budget--deadline constraints.

3D Gaussian Splatting (3DGS) optimization is most commonly performed using standard optimizers (Adam, SGD). While stable across diverse scenes, standard optimizers are general-purpose and not tailored to the structure of the problem. In particular, they produce independent parameter updates that do not capture the structural and spatial relationships within a scene, leading to inefficient optimization and slow convergence. Recent works introduced learned optimizers that predict correlated updates informed by inter-parameter and inter-Gaussian dependencies. However, these methods are trained for a fixed number of optimization iterations and rely on manually scheduled learning rates to avoid degradation. In this paper, we introduce a learned optimizer for 3DGS that avoids degradation over extended optimization horizons without auxiliary mechanisms. To enable this, we propose a meta-learning scheme that extends the optimization horizon via a checkpoint buffer and an optimizer rollout strategy, combined with an architecture that encodes gradient scale information in its latent states. Results show improved early novel view synthesis quality while remaining stable over long horizons, with zero-shot generalization to unseen reconstruction settings. To support our findings, we introduce the first unified framework for training and evaluating both learned and conventional optimizers across sparse and dense view settings. Code and models will be released publicly. Our project page is available at https://naamapearl.github.io/learn2splat .

The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every tau steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BO's acquisition function for tau steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only tau'lltau steps and train an exponential model to predict the validation loss after tau steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of 1.22times, 1.43times, and 1.5times when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of 1.31times over state-of-the-art heavily-tuned LR schedules.

Adaptive optimization methods such as AdaGrad, RMSprop and Adam have been proposed to achieve a rapid training process with an element-wise scaling term on learning rates. Though prevailing, they are observed to generalize poorly compared with SGD or even fail to converge due to unstable and extreme learning rates. Recent work has put forward some algorithms such as AMSGrad to tackle this issue but they failed to achieve considerable improvement over existing methods. In our paper, we demonstrate that extreme learning rates can lead to poor performance. We provide new variants of Adam and AMSGrad, called AdaBound and AMSBound respectively, which employ dynamic bounds on learning rates to achieve a gradual and smooth transition from adaptive methods to SGD and give a theoretical proof of convergence. We further conduct experiments on various popular tasks and models, which is often insufficient in previous work. Experimental results show that new variants can eliminate the generalization gap between adaptive methods and SGD and maintain higher learning speed early in training at the same time. Moreover, they can bring significant improvement over their prototypes, especially on complex deep networks. The implementation of the algorithm can be found at https://github.com/Luolc/AdaBound .

In this work, we address the issue of quality of experience (QoE) in unmanned aerial vehicle (UAV) aided multiuser rate-splitting multiple access (RSMA) networks under secrecy constraints. The problem is formulated as maximization of sum mean opinion scores (MOSs) of the users. The problem is decomposed into two subproblems, beamforming and rate allocation and UAV trajectory subproblem. For, beamforming and rate allocation subproblem, we use the epigraph method, property of polynomials, and the norm-bounded error of channels, we linearize the objective function. Then, applying second-order conic (SOC) and first Taylor expansion, we convexify the remaining nonconvex constraints. For the highly nonconvex UAV trajectory, we unroll the constraints and we apply first Taylor expansion on the unrolled constraints. The simulation results demonstrate the efficiency of the proposed framework.

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}.

The conjugate gradient method is a crucial first-order optimization method that generally converges faster than the steepest descent method, and its computational cost is much lower than that of second-order methods. However, while various types of conjugate gradient methods have been studied in Euclidean spaces and on Riemannian manifolds, there is little study for those in distributed scenarios. This paper proposes a decentralized Riemannian conjugate gradient descent (DRCGD) method that aims at minimizing a global function over the Stiefel manifold. The optimization problem is distributed among a network of agents, where each agent is associated with a local function, and the communication between agents occurs over an undirected connected graph. Since the Stiefel manifold is a non-convex set, a global function is represented as a finite sum of possibly non-convex (but smooth) local functions. The proposed method is free from expensive Riemannian geometric operations such as retractions, exponential maps, and vector transports, thereby reducing the computational complexity required by each agent. To the best of our knowledge, DRCGD is the first decentralized Riemannian conjugate gradient algorithm to achieve global convergence over the Stiefel manifold.

Optimization plays a vital role in scientific research and practical applications. However, formulating a concrete optimization problem described in natural language into a mathematical form and selecting a suitable solver to solve the problem requires substantial domain expertise. We introduce OptimAI, a framework for solving Optimization problems described in natural language by leveraging LLM-powered AI agents, and achieve superior performance over current state-of-the-art methods. Our framework is built upon the following key roles: (1) a formulator that translates natural language problem descriptions into precise mathematical formulations; (2) a planner that constructs a high-level solution strategy prior to execution; and (3) a coder and a code critic capable of interacting with the environment and reflecting on outcomes to refine future actions. Ablation studies confirm that all roles are essential; removing the planner or code critic results in 5.8times and 3.1times drops in productivity, respectively. Furthermore, we introduce UCB-based debug scheduling to dynamically switch between alternative plans, yielding an additional 3.3times productivity gain. Our design emphasizes multi-agent collaboration, and our experiments confirm that combining diverse models leads to performance gains. Our approach attains 88.1% accuracy on the NLP4LP dataset and 82.3% on the Optibench dataset, reducing error rates by 58% and 52%, respectively, over prior best results.

Prompt engineering is crucial for leveraging the full potential of large language models (LLMs). While automatic prompt optimization offers a scalable alternative to costly manual design, generating effective prompts remains challenging. Existing methods often struggle to stably generate improved prompts, leading to low efficiency, and overlook that prompt optimization easily gets trapped in local optima. Addressing this, we propose GRACE, a framework that integrates two synergistic strategies: Gated Refinement and Adaptive Compression, achieving Efficient prompt optimization. The gated refinement strategy introduces a feedback regulation gate and an update rejection gate, which refine update signals to produce stable and effective prompt improvements. When optimization stagnates, the adaptive compression strategy distills the prompt's core concepts, restructuring the optimization trace and opening new paths. By strategically introducing information loss through refinement and compression, GRACE delivers substantial gains in performance and efficiency. In extensive experiments on 11 tasks across three practical domains, including BIG-Bench Hard (BBH), domain-specific, and general NLP tasks, GRACE achieves significant average relative performance improvements of 4.7%, 4.4% and 2.7% over state-of-the-art methods, respectively. Further analysis shows that GRACE achieves these gains using only 25% of the prompt generation budget required by prior methods, highlighting its high optimization efficiency and low computational overhead. Our code is available at https://github.com/Eric8932/GRACE.

Ensuring safety in Reinforcement Learning (RL), typically framed as a Constrained Markov Decision Process (CMDP), is crucial for real-world exploration applications. Current approaches in handling CMDP struggle to balance optimality and feasibility, as direct optimization methods cannot ensure state-wise in-training safety, and projection-based methods correct actions inefficiently through lengthy iterations. To address these challenges, we propose Adaptive Chance-constrained Safeguards (ACS), an adaptive, model-free safe RL algorithm using the safety recovery rate as a surrogate chance constraint to iteratively ensure safety during exploration and after achieving convergence. Theoretical analysis indicates that the relaxed probabilistic constraint sufficiently guarantees forward invariance to the safe set. And extensive experiments conducted on both simulated and real-world safety-critical tasks demonstrate its effectiveness in enforcing safety (nearly zero-violation) while preserving optimality (+23.8%), robustness, and fast response in stochastic real-world settings.

This paper investigates the global convergence of stepsized Newton methods for convex functions. We propose several simple stepsize schedules with fast global convergence guarantees, up to O (k^{-3}), nearly matching lower complexity bounds Omega (k^{-3.5}) of second-order methods. For cases with multiple plausible smoothness parameterizations or an unknown smoothness constant, we introduce a stepsize backtracking procedure that ensures convergence as if the optimal smoothness parameters were known.

Regardless of the particular task we want them to perform in an environment, there are often shared safety constraints we want our agents to respect. For example, regardless of whether it is making a sandwich or clearing the table, a kitchen robot should not break a plate. Manually specifying such a constraint can be both time-consuming and error-prone. We show how to learn constraints from expert demonstrations of safe task completion by extending inverse reinforcement learning (IRL) techniques to the space of constraints. Intuitively, we learn constraints that forbid highly rewarding behavior that the expert could have taken but chose not to. Unfortunately, the constraint learning problem is rather ill-posed and typically leads to overly conservative constraints that forbid all behavior that the expert did not take. We counter this by leveraging diverse demonstrations that naturally occur in multi-task settings to learn a tighter set of constraints. We validate our method with simulation experiments on high-dimensional continuous control tasks.

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.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

We consider an improper reinforcement learning setting where a learner is given M base controllers for an unknown Markov decision process, and wishes to combine them optimally to produce a potentially new controller that can outperform each of the base ones. This can be useful in tuning across controllers, learnt possibly in mismatched or simulated environments, to obtain a good controller for a given target environment with relatively few trials. Towards this, we propose two algorithms: (1) a Policy Gradient-based approach; and (2) an algorithm that can switch between a simple Actor-Critic (AC) based scheme and a Natural Actor-Critic (NAC) scheme depending on the available information. Both algorithms operate over a class of improper mixtures of the given controllers. For the first case, we derive convergence rate guarantees assuming access to a gradient oracle. For the AC-based approach we provide convergence rate guarantees to a stationary point in the basic AC case and to a global optimum in the NAC case. Numerical results on (i) the standard control theoretic benchmark of stabilizing an cartpole; and (ii) a constrained queueing task show that our improper policy optimization algorithm can stabilize the system even when the base policies at its disposal are unstable.

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.

Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).

Scheduling precedence-constrained tasks under shared renewable resources is central to modern computing platforms. The Resource Investment Problem (RIP) models this setting by minimizing the cost of provisioned renewable resources under precedence and timing constraints. Exact mixed-integer programming and constraint programming become impractically slow on large instances, and dynamic updates require schedule revisions under tight latency budgets. We present iScheduler, a reinforcement-learning-driven iterative scheduling framework that formulates RIP solving as a Markov decision process over decomposed subproblems and constructs schedules through sequential process selection. The framework accelerates optimization and supports reconfiguration by reusing unchanged process schedules and rescheduling only affected processes. We also release L-RIPLIB, an industrial-scale benchmark derived from cloud-platform workloads with 1,000 instances of 2,500-10,000 tasks. Experiments show that iScheduler attains competitive resource costs while reducing time to feasibility by up to 43times against strong commercial baselines.

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.