Daily Papers

The bioinspired event camera, distinguished by its exceptional temporal resolution, high dynamic range, and low power consumption, has been extensively studied in recent years for motion estimation, robotic perception, and object detection. In ego-motion estimation, the visual-inertial setup is commonly adopted due to complementary characteristics between sensors (e.g., scale perception and low drift). For optimal event-based visual-inertial fusion, accurate spatiotemporal (extrinsic and temporal) calibration is required. In this work, we present eKalibr-Inertial, an accurate spatiotemporal calibrator for event-based visual-inertial systems, utilizing the widely used circle grid board. Building upon the grid pattern recognition and tracking methods in eKalibr and eKalibr-Stereo, the proposed method starts with a rigorous and efficient initialization, where all parameters in the estimator would be accurately recovered. Subsequently, a continuous-time-based batch optimization is conducted to refine the initialized parameters toward better states. The results of extensive real-world experiments show that eKalibr-Inertial can achieve accurate event-based visual-inertial spatiotemporal calibration. The implementation of eKalibr-Inertial is open-sourced at (https://github.com/Unsigned-Long/eKalibr) to benefit the research community.

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

Gaussian processes (GP) are one of the most successful frameworks to model uncertainty. However, GP optimization (e.g., GP-UCB) suffers from major scalability issues. Experimental time grows linearly with the number of evaluations, unless candidates are selected in batches (e.g., using GP-BUCB) and evaluated in parallel. Furthermore, computational cost is often prohibitive since algorithms such as GP-BUCB require a time at least quadratic in the number of dimensions and iterations to select each batch. In this paper, we introduce BBKB (Batch Budgeted Kernel Bandits), the first no-regret GP optimization algorithm that provably runs in near-linear time and selects candidates in batches. This is obtained with a new guarantee for the tracking of the posterior variances that allows BBKB to choose increasingly larger batches, improving over GP-BUCB. Moreover, we show that the same bound can be used to adaptively delay costly updates to the sparse GP approximation used by BBKB, achieving a near-constant per-step amortized cost. These findings are then confirmed in several experiments, where BBKB is much faster than state-of-the-art methods.

We study the role of batch size in stochastic conditional gradient methods under a μ-Kurdyka-Łojasiewicz (μ-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.

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.

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.

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

Training large neural networks is known to be time-consuming, with the learning duration taking days or even weeks. To address this problem, large-batch optimization was introduced. This approach demonstrated that scaling mini-batch sizes with appropriate learning rate adjustments can speed up the training process by orders of magnitude. While long training time was not typically a major issue for model-free deep offline RL algorithms, recently introduced Q-ensemble methods achieving state-of-the-art performance made this issue more relevant, notably extending the training duration. In this work, we demonstrate how this class of methods can benefit from large-batch optimization, which is commonly overlooked by the deep offline RL community. We show that scaling the mini-batch size and naively adjusting the learning rate allows for (1) a reduced size of the Q-ensemble, (2) stronger penalization of out-of-distribution actions, and (3) improved convergence time, effectively shortening training duration by 3-4x times on average.

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

The choice of batch sizes in stochastic gradient optimizers is critical for model training. However, the practice of varying batch sizes throughout the training process is less explored compared to other hyperparameters. We investigate adaptive batch size strategies derived from adaptive sampling methods, traditionally applied only in stochastic gradient descent. Given the significant interplay between learning rates and batch sizes, and considering the prevalence of adaptive gradient methods in deep learning, we emphasize the need for adaptive batch size strategies in these contexts. We introduce AdAdaGrad and its scalar variant AdAdaGradNorm, which incrementally increase batch sizes during training, while model updates are performed using AdaGrad and AdaGradNorm. We prove that AdaGradNorm converges with high probability at a rate of O(1/K) for finding a first-order stationary point of smooth nonconvex functions within K iterations. AdaGrad also demonstrates similar convergence properties when integrated with a novel coordinate-wise variant of our adaptive batch size strategies. Our theoretical claims are supported by numerical experiments on various image classification tasks, highlighting the enhanced adaptability of progressive batching protocols in deep learning and the potential of such adaptive batch size strategies with adaptive gradient optimizers in large-scale model training.

Batch Bayesian optimisation (BO) is a successful technique for the optimisation of expensive black-box functions. Asynchronous BO can reduce wallclock time by starting a new evaluation as soon as another finishes, thus maximising resource utilisation. To maximise resource allocation, we develop a novel asynchronous BO method, AEGiS (Asynchronous epsilon-Greedy Global Search) that combines greedy search, exploiting the surrogate's mean prediction, with Thompson sampling and random selection from the approximate Pareto set describing the trade-off between exploitation (surrogate mean prediction) and exploration (surrogate posterior variance). We demonstrate empirically the efficacy of AEGiS on synthetic benchmark problems, meta-surrogate hyperparameter tuning problems and real-world problems, showing that AEGiS generally outperforms existing methods for asynchronous BO. When a single worker is available performance is no worse than BO using expected improvement.

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

Bayesian optimisation is a popular, surrogate model-based approach for optimising expensive black-box functions. Given a surrogate model, the next location to expensively evaluate is chosen via maximisation of a cheap-to-query acquisition function. We present an epsilon-greedy procedure for Bayesian optimisation in batch settings in which the black-box function can be evaluated multiple times in parallel. Our epsilon-shotgun algorithm leverages the model's prediction, uncertainty, and the approximated rate of change of the landscape to determine the spread of batch solutions to be distributed around a putative location. The initial target location is selected either in an exploitative fashion on the mean prediction, or -- with probability epsilon -- from elsewhere in the design space. This results in locations that are more densely sampled in regions where the function is changing rapidly and in locations predicted to be good (i.e close to predicted optima), with more scattered samples in regions where the function is flatter and/or of poorer quality. We empirically evaluate the epsilon-shotgun methods on a range of synthetic functions and two real-world problems, finding that they perform at least as well as state-of-the-art batch methods and in many cases exceed their performance.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

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

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.

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair (x, y) with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.

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.

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.

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce self-consistency along the full PF-ODE trajectory to steer it toward the clean data manifold, vanilla DMD relies on sparse supervision at a few predefined discrete timesteps. This restricted discrete-time formulation and mode-seeking nature of the reverse KL divergence tends to exhibit visual artifacts and over-smoothed outputs, often necessitating complex auxiliary modules -- such as GANs or reward models -- to restore visual fidelity. In this work, we introduce Continuous-Time Distribution Matching (CDM), migrating the DMD framework from discrete anchoring to continuous optimization for the first time. CDM achieves this through two continuous-time designs. First, we replace the fixed discrete schedule with a dynamic continuous schedule of random length, so that distribution matching is enforced at arbitrary points along sampling trajectories rather than only at a few fixed anchors. Second, we propose a continuous-time alignment objective that performs active off-trajectory matching on latents extrapolated via the student's velocity field, improving generalization and preserving fine visual details. Extensive experiments on different architectures, including SD3-Medium and Longcat-Image, demonstrate that CDM provides highly competitive visual fidelity for few-step image generation without relying on complex auxiliary objectives. Code is available at https://github.com/byliutao/cdm.

Efficient operator scheduling is a fundamental challenge in software compilation and hardware synthesis. While recent differentiable approaches have sought to replace traditional ones like exact solvers or heuristics with gradient-based search, they typically rely on categorical distributions that fail to capture the ordinal nature of time and suffer from a parameter space that scales poorly. In this paper, we propose a novel differentiable framework, GauS, that models operator scheduling as a stochastic relaxation using Gaussian distributions, which fully utilize modern parallel computing devices like GPUs. By representing schedules as continuous Gaussian variables, we successfully capture the ordinal nature of time and reduce the optimization space by orders of magnitude. Our method is highly flexible to represent various objectives and constraints, which provides the first differentiable formulation for the complex pipelined scheduling problem. We evaluate our method on a range of benchmarks, demonstrating that Gaus achieves Pareto-optimal results.

Optimizing complex systems, ranging from LLM prompts to multi-turn agents, traditionally requires labor-intensive manual iteration. We formalize this challenge as a stochastic generative optimization problem where a generative language model acts as the optimizer, guided by numerical rewards and text feedback to discover the best system. We introduce Prioritized Optimization with Local Contextual Aggregation (POLCA), a scalable framework designed to handle stochasticity in optimization -- such as noisy feedback, sampling minibatches, and stochastic system behaviors -- while effectively managing the unconstrained expansion of solution space. POLCA maintains a priority queue to manage the exploration-exploitation tradeoff, systematically tracking candidate solutions and their evaluation histories. To enhance efficiency, we integrate an varepsilon-Net mechanism to maintain parameter diversity and an LLM Summarizer to perform meta-learning across historical trials. We theoretically prove that POLCA converges to near-optimal candidate solutions under stochasticity. We evaluate our framework on diverse benchmarks, including τ-bench, HotpotQA (agent optimization), VeriBench (code translation) and KernelBench (CUDA kernel generation). Experimental results demonstrate that POLCA achieves robust, sample and time-efficient performance, consistently outperforming state-of-the-art algorithms in both deterministic and stochastic problems. The codebase for this work is publicly available at https://github.com/rlx-lab/POLCA.

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their effectiveness in solving specific problems, with search strategies primarily guided by adaptive prompt designs. In this paper, through investigating the token-wise attribution of the prompts to LLM-generated algorithmic codes, we show that providing high-quality algorithmic code examples can substantially improve the performance of the LLM-driven optimization. Building upon this insight, we propose leveraging prior benchmark algorithms to guide LLM-driven optimization and demonstrate superior performance on two black-box optimization benchmarks: the pseudo-Boolean optimization suite (pbo) and the black-box optimization suite (bbob). Our findings highlight the value of integrating benchmarking studies to enhance both efficiency and robustness of the LLM-driven black-box optimization methods.

Continuous normalizing flows (CNFs) construct invertible mappings between an arbitrary complex distribution and an isotropic Gaussian distribution using Neural Ordinary Differential Equations (neural ODEs). It has not been tractable on large datasets due to the incremental complexity of the neural ODE training. Optimal Transport theory has been applied to regularize the dynamics of the ODE to speed up training in recent works. In this paper, a temporal optimization is proposed by optimizing the evolutionary time for forward propagation of the neural ODE training. In this appoach, we optimize the network weights of the CNF alternately with evolutionary time by coordinate descent. Further with temporal regularization, stability of the evolution is ensured. This approach can be used in conjunction with the original regularization approach. We have experimentally demonstrated that the proposed approach can significantly accelerate training without sacrifying performance over baseline models.

The concept of Critical Batch Size, as pioneered by OpenAI, has long served as a foundational principle for large-scale pre-training. However, with the paradigm shift towards the Warmup-Stable-Decay (WSD) learning rate scheduler, we observe that the original theoretical framework and its underlying mechanisms fail to align with new pre-training dynamics. To bridge this gap between theory and practice, this paper derives a revised E(S) relationship tailored for WSD scheduler, characterizing the trade-off between training data consumption E and steps S during pre-training. Our theoretical analysis reveals two fundamental properties of WSD-based pre-training: 1) B_min, the minimum batch size threshold required to achieve a target loss, and 2) B_opt, the optimal batch size that maximizes data efficiency by minimizing total tokens. Building upon these properties, we propose a dynamic Batch Size Scheduler. Extensive experiments demonstrate that our revised formula precisely captures the dynamics of large-scale pre-training, and the resulting scheduling strategy significantly enhances both training efficiency and final model quality.

We consider learning representations (features) in the setting in which we have access to multiple unlabeled views of the data for learning while only one view is available for downstream tasks. Previous work on this problem has proposed several techniques based on deep neural networks, typically involving either autoencoder-like networks with a reconstruction objective or paired feedforward networks with a batch-style correlation-based objective. We analyze several techniques based on prior work, as well as new variants, and compare them empirically on image, speech, and text tasks. We find an advantage for correlation-based representation learning, while the best results on most tasks are obtained with our new variant, deep canonically correlated autoencoders (DCCAE). We also explore a stochastic optimization procedure for minibatch correlation-based objectives and discuss the time/performance trade-offs for kernel-based and neural network-based implementations.

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true one, with precision growing only with the square root of the batch size. A theoretical justification is with the help of stochastic approximation theory. However, the conditions for the validity of this theory are not satisfied in the usual learning rate schedules. Batch processing is also difficult to combine with efficient second-order optimization methods. This proposal is based on another hypothesis: the loss minimum of the training set can be expected to be well-approximated by the minima of its subsets. Such subset minima can be computed in a fraction of the time necessary for optimizing over the whole training set. This hypothesis has been tested with the help of the MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks, optionally extended by training data augmentation. The experiments have confirmed that results equivalent to conventional training can be reached. In summary, even small subsets are representative if the overdetermination ratio for the given model parameter set sufficiently exceeds unity. The computing expense can be reduced to a tenth or less.

Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients. CoSO updates the model by projecting gradients onto these subspaces, ensuring memory-efficient optimization. To mitigate forgetting, the optimization subspace of each task is constrained to be orthogonal to the historical task subspace. During task learning, CoSO maintains a task-specific component that captures the critical update directions for the current task. Upon completing a task, this component is used to update the historical task subspace, laying the groundwork for subsequent learning. Extensive experiments on multiple datasets demonstrate that CoSO significantly outperforms state-of-the-art methods, especially in challenging scenarios with long task sequences.

Recently the LARS and LAMB optimizers have been proposed for training neural networks faster using large batch sizes. LARS and LAMB add layer-wise normalization to the update rules of Heavy-ball momentum and Adam, respectively, and have become popular in prominent benchmarks and deep learning libraries. However, without fair comparisons to standard optimizers, it remains an open question whether LARS and LAMB have any benefit over traditional, generic algorithms. In this work we demonstrate that standard optimization algorithms such as Nesterov momentum and Adam can match or exceed the results of LARS and LAMB at large batch sizes. Our results establish new, stronger baselines for future comparisons at these batch sizes and shed light on the difficulties of comparing optimizers for neural network training more generally.

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

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

Global optimization of expensive, derivative-free black-box functions demands extreme sample efficiency and decision interpretability. While Large Language Models (LLMs) have shown broad capabilities, even state-of-the-art models remain limited in solving continuous black-box optimization tasks and struggle to maintain exploration-exploitation balance. We introduce GPTOpt, an optimization method that equips LLMs with continuous black-box optimization capabilities by fine-tuning Llama 3.1 8B on structured Bayesian optimization (BO) data, including surrogate model information. This provides an explainable framework calibrated to produce surrogate model outputs comparable to a Gaussian process, while keeping the advantages of flexible LLM-based optimization. On a variety of black-box optimization benchmarks, our model shows favorable performance compared to traditional optimizers and transformer-based alternatives, while providing important context and insight into the model's decisions.

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This limitation has significantly slowed down the scaling and understanding of numerous natural physical phenomena such as the dynamics of nervous systems. Ideally, we would circumvent this bottleneck by solving the given dynamical system in closed form. This is known to be intractable in general. Here, we show it is possible to closely approximate the interaction between neurons and synapses -- the building blocks of natural and artificial neural networks -- constructed by liquid time-constant networks (LTCs) efficiently in closed-form. To this end, we compute a tightly-bounded approximation of the solution of an integral appearing in LTCs' dynamics, that has had no known closed-form solution so far. This closed-form solution substantially impacts the design of continuous-time and continuous-depth neural models; for instance, since time appears explicitly in closed-form, the formulation relaxes the need for complex numerical solvers. Consequently, we obtain models that are between one and five orders of magnitude faster in training and inference compared to differential equation-based counterparts. More importantly, in contrast to ODE-based continuous networks, closed-form networks can scale remarkably well compared to other deep learning instances. Lastly, as these models are derived from liquid networks, they show remarkable performance in time series modeling, compared to advanced recurrent models.

Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.

We consider the problem of designing a smooth trajectory that traverses a sequence of convex sets in minimum time, while satisfying given velocity and acceleration constraints. This problem is naturally formulated as a nonconvex program. To solve it, we propose a biconvex method that quickly produces an initial trajectory and iteratively refines it by solving two convex subproblems in alternation. This method is guaranteed to converge, returns a feasible trajectory even if stopped early, and does not require the selection of any line-search or trust-region parameter. Exhaustive experiments show that our method finds high-quality trajectories in a fraction of the time of state-of-the-art solvers for nonconvex optimization. In addition, it achieves runtimes comparable to industry-standard waypoint-based motion planners, while consistently designing lower-duration trajectories than existing optimization-based planners.

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.

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for that object. Whereas standard return maximization tends to converge to a single return-maximizing sequence, there are cases where we would like to sample a diverse set of high-return solutions. These arise, for example, in black-box function optimization when few rounds are possible, each with large batches of queries, where the batches should be diverse, e.g., in the design of new molecules. One can also see this as a problem of approximately converting an energy function to a generative distribution. While MCMC methods can achieve that, they are expensive and generally only perform local exploration. Instead, training a generative policy amortizes the cost of search during training and yields to fast generation. Using insights from Temporal Difference learning, we propose GFlowNet, based on a view of the generative process as a flow network, making it possible to handle the tricky case where different trajectories can yield the same final state, e.g., there are many ways to sequentially add atoms to generate some molecular graph. We cast the set of trajectories as a flow and convert the flow consistency equations into a learning objective, akin to the casting of the Bellman equations into Temporal Difference methods. We prove that any global minimum of the proposed objectives yields a policy which samples from the desired distribution, and demonstrate the improved performance and diversity of GFlowNet on a simple domain where there are many modes to the reward function, and on a molecule synthesis task.

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).

Continuous-time generative models, such as diffusion models, flow matching, and rectified flow, learn time-dependent vector fields but are typically trained with objectives that treat timesteps independently, leading to high estimator variance and inefficient sampling. Prior approaches mitigate this via explicit smoothness penalties, trajectory regularization, or modified probability paths and solvers. We introduce Temporal Pair Consistency (TPC), a lightweight variance-reduction principle that couples velocity predictions at paired timesteps along the same probability path, operating entirely at the estimator level without modifying the model architecture, probability path, or solver. We provide a theoretical analysis showing that TPC induces a quadratic, trajectory-coupled regularization that provably reduces gradient variance while preserving the underlying flow-matching objective. Instantiated within flow matching, TPC improves sample quality and efficiency across CIFAR-10 and ImageNet at multiple resolutions, achieving lower FID at identical or lower computational cost than prior methods, and extends seamlessly to modern SOTA-style pipelines with noise-augmented training, score-based denoising, and rectified flow.

The exploration and application of Large Language Models (LLMs) is thriving. To reduce deployment costs, continuous batching has become an essential feature in current service frameworks. The effectiveness of continuous batching relies on an accurate estimate of the memory requirements of requests. However, due to the diversity in request output lengths, existing frameworks tend to adopt aggressive or conservative schedulers, which often result in significant overestimation or underestimation of memory consumption. Consequently, they suffer from harmful request evictions or prolonged queuing times, failing to achieve satisfactory throughput under strict Service Level Agreement (SLA) guarantees (a.k.a. goodput), across various LLM application scenarios with differing input-output length distributions. To address this issue, we propose a novel Past-Future scheduler that precisely estimates the peak memory resources required by the running batch via considering the historical distribution of request output lengths and calculating memory occupancy at each future time point. It adapts to applications with all types of input-output length distributions, balancing the trade-off between request queuing and harmful evictions, thereby consistently achieving better goodput. Furthermore, to validate the effectiveness of the proposed scheduler, we developed a high-performance LLM serving framework, LightLLM, that implements the Past-Future scheduler. Compared to existing aggressive or conservative schedulers, LightLLM demonstrates superior goodput, achieving up to 2-3times higher goodput than other schedulers under heavy loads. LightLLM is open source to boost the research in such direction (https://github.com/ModelTC/lightllm).

The Information Bottleneck (IB) method frequently suffers from unstable optimization, characterized by abrupt representation shifts near critical points of the IB trade-off parameter, beta. In this paper, I introduce a novel approach to achieve stable and convex IB optimization through symbolic continuation and entropy-regularized trajectories. I analytically prove convexity and uniqueness of the IB solution path when an entropy regularization term is included, and demonstrate how this stabilizes representation learning across a wide range of eta values. Additionally, I provide extensive sensitivity analyses around critical points (beta) with statistically robust uncertainty quantification (95% confidence intervals). The open-source implementation, experimental results, and reproducibility framework included in this work offer a clear path for practical deployment and future extension of my proposed method.

Conventional transformer inference engines are request-driven, paying an O(n) prefill cost on every query. In streaming workloads, where data arrives continuously and queries probe an ever-growing context, this cost is prohibitive. We introduce a data-driven computational model centred on stateful sessions: a persistent KV cache advanced incrementally as new data arrives, so prefill is moved off the critical path and query latency becomes O(|q|), independent of accumulated context size. Building on this, Flash Queries reclaim idle GPU cycles between data arrivals to pre-evaluate registered questions and return cached answers before the user asks, a pattern that is structurally impossible in stateless engines because they discard intermediate state between requests. A multi-tenant continuous-batching scheduler with cell-budget admission and prefix-aware grouped prefill lets dozens of stateful sessions coexist on a single GPU while preserving full quadratic self-attention. On streaming market-data benchmarks the reference implementation achieves up to 5.9x speedup over conventional inference engines (vLLM, SGLang, TensorRT-LLM, llama.cpp), holding query latency constant as accumulated context grows.

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.

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

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.

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.

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.

We propose a scaling law that takes into account model size and training data while explicitly splitting the latter into training steps and batch size (called three-term law). Fitting the proposed law on a large set of training runs, we find that it correctly recovers the scaling of the optimal batch size. Moreover, because it makes use of training runs with suboptimal batch size, our proposed law can be robustly fit with a significantly smaller amount of training runs. We further show that the three-term law can be used to derive scaling laws for suboptimal batch sizes, and that it matches previous empirical findings related to the critical batch size.

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.

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve mgg 1 lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling I blocks and sampling B samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of O(mepsilon^{-3I(I<m)}{II} + mepsilon^{-3}{IB}) for finding an epsilon-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.

Scientific and engineering progress is fundamentally a long-horizon iterative process: proposing changes, running experiments, measuring outcomes, and continuously refining artifacts. Yet existing benchmarks for frontier models primarily evaluate either single-turn responses or short-horizon agent trajectories, failing to capture the challenges of sustained iterative improvement over extended time horizons. To address this gap, we introduce AutoLab, a new benchmark for ultra long-horizon closed-loop optimization. AutoLab consists of 36 realistic, expert-curated tasks spanning four diverse domains: system optimization, puzzle & challenge, model development, and CUDA kernel optimization. Each task begins with a correct but deliberately suboptimal baseline and challenges agents to improve it within a strict wall-clock budget. Evaluating 17 state-of-the-art models reveals the dominant predictor of success is not the quality of an agent's initial attempt, but its persistence in repeatedly benchmarking, editing, and incorporating empirical feedback. While claude-opus-4.6 exhibits strong long-horizon optimization capabilities, most frontier models, including several proprietary ones, either terminate prematurely or exhaust their budgets with minimal progress. These results underscore the importance of time awareness and persistent iteration in autonomous agents. We open-source the full benchmark, evaluation harness, and task artifacts, to accelerate research toward truly capable long-horizon agents.

Diffusion and flow matching models generate high-fidelity data by simulating paths defined by Ordinary or Stochastic Differential Equations (ODEs/SDEs), starting from a tractable prior distribution. The probability flow ODE formulation enables the use of advanced numerical solvers to accelerate sampling. Orthogonal yet vital to solver design is the discretization strategy. While early approaches employed handcrafted heuristics and recent methods adopt optimization-based techniques, most existing strategies enforce a globally shared timestep schedule across all samples. This uniform treatment fails to account for instance-specific complexity in the generative process, potentially limiting performance. Motivated by controlled experiments on synthetic data, which reveals the suboptimality of global schedules under instance-specific dynamics, we propose an instance-aware discretization framework. Our method learns to adapt timestep allocations based on input-dependent priors, extending gradient-based discretization search to the conditional generative setting. Empirical results across diverse settings, including synthetic data, pixel-space diffusion, latent-space images and video flow matching models, demonstrate that our method consistently improves generation quality with marginal tuning cost compared to training and negligible inference overhead.

The remarkable success of diffusion and flow-matching models has ignited a surge of works on adapting them at test time for controlled generation tasks. Examples range from image editing to restoration, compression and personalization. However, due to the iterative nature of the sampling process in those models, it is computationally impractical to use gradient-based optimization to directly control the image generated at the end of the process. As a result, existing methods typically resort to manipulating each timestep separately. Here we introduce FlowOpt - a zero-order (gradient-free) optimization framework that treats the entire flow process as a black box, enabling optimization through the whole sampling path without backpropagation through the model. Our method is both highly efficient and allows users to monitor the intermediate optimization results and perform early stopping if desired. We prove a sufficient condition on FlowOpt's step-size, under which convergence to the global optimum is guaranteed. We further show how to empirically estimate this upper bound so as to choose an appropriate step-size. We demonstrate how FlowOpt can be used for image editing, showcasing two options: (i) inversion (determining the initial noise that generates a given image), and (ii) directly steering the edited image to be similar to the source image while conforming to a target text prompt. In both cases, FlowOpt achieves state-of-the-art results while using roughly the same number of neural function evaluations (NFEs) as existing methods. Code and examples are available on the project's webpage.

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks, and (2) the design of good heuristics or approximation algorithms often requires significant manual trial-and-error. In this work, we argue that data-driven strategies can automate this process and learn efficient algorithms without compromising optimality. To do so, we present network control problems through the lens of reinforcement learning and propose a graph network-based framework to handle a broad class of problems. Instead of naively computing actions over high-dimensional graph elements, e.g., edges, we propose a bi-level formulation where we (1) specify a desired next state via RL, and (2) solve a convex program to best achieve it, leading to drastically improved scalability and performance. We further highlight a collection of desirable features to system designers, investigate design decisions, and present experiments on real-world control problems showing the utility, scalability, and flexibility of our framework.

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

Most black-box optimization methods require extensive hyperparameter tuning, often limiting their ability to generalize across different optimization domains. Foundation models for black-box optimization that learn optimization principles from a large collection of optimization trajectories offer a promising alternative, with the potential to outperform manually designed methods across diverse problem classes. However, prior work has either relied on non-public datasets or on purely synthetic data, limiting reproducibility and generalization to real-world problems. As a result, progress in this area has been constrained by the lack of large-scale, real-world, publicly available pre-training data. We introduce BBO-Pile, the first open-source dataset comprising over 500K optimization trajectories evaluated across 3095 different black-boxes for different optimizers, which represents by far the largest public dataset for this task. Using this dataset, we train a family of foundation models at multiple scales, ranging from 2M to 80M parameters and from 200M to 2B training tokens, and study their scaling behavior with respect to compute. Our results demonstrate that large-scale pre-training is a viable and effective approach to imitate black-box optimization methods, paving the way for future research in this direction.

This paper presents MoE-Gen, a high-throughput MoE inference system optimized for single-GPU execution. Existing inference systems rely on model-based or continuous batching strategies, originally designed for interactive inference, which result in excessively small batches for MoE's key modules-attention and expert modules-leading to poor throughput. To address this, we introduce module-based batching, which accumulates tokens in host memory and dynamically launches large batches on GPUs to maximize utilization. Additionally, we optimize the choice of batch sizes for each module in an MoE to fully overlap GPU computation and communication, maximizing throughput. Evaluation demonstrates that MoE-Gen achieves 8-31x higher throughput compared to state-of-the-art systems employing model-based batching (FlexGen, MoE-Lightning, DeepSpeed), and offers even greater throughput improvements over continuous batching systems (e.g., vLLM and Ollama) on popular MoE models (DeepSeek and Mixtral) across offline inference tasks. MoE-Gen's source code is publicly available at https://github.com/EfficientMoE/MoE-Gen

Neural network-based optimization and control methods, often referred to as black-box approaches, are increasingly gaining attention in energy and manufacturing systems, particularly in situations where first-principles models are either unavailable or inaccurate. However, their non-convex nature significantly slows down the optimization and control processes, limiting their application in real-time decision-making processes. To address this challenge, we propose a novel Input Convex Long Short-Term Memory (IC-LSTM) network to enhance the computational efficiency of neural network-based optimization. Through two case studies employing real-time neural network-based optimization for optimizing energy and chemical systems, we demonstrate the superior performance of IC-LSTM-based optimization in terms of runtime. Specifically, in a real-time optimization problem of a real-world solar photovoltaic energy system at LHT Holdings in Singapore, IC-LSTM-based optimization achieved at least 4-fold speedup compared to conventional LSTM-based optimization. These results highlight the potential of IC-LSTM networks to significantly enhance the efficiency of neural network-based optimization and control in practical applications. Source code is available at https://github.com/killingbear999/ICLSTM.

The analysis of non-stationary time-series data requires insight into its local and global patterns with physical interpretability. However, traditional smoothing algorithms, such as B-splines, Savitzky-Golay filtering, and Empirical Mode Decomposition (EMD), lack the ability to perform parametric optimization with guaranteed continuity. In this paper, we propose Functional Continuous Decomposition (FCD), a JAX-accelerated framework that performs parametric, continuous optimization on a wide range of mathematical functions. By using Levenberg-Marquardt optimization to achieve up to C^1 continuous fitting, FCD transforms raw time-series data into M modes that capture different temporal patterns from short-term to long-term trends. Applications of FCD include physics, medicine, financial analysis, and machine learning, where it is commonly used for the analysis of signal temporal patterns, optimized parameters, derivatives, and integrals of decomposition. Furthermore, FCD can be applied for physical analysis and feature extraction with an average SRMSE of 0.735 per segment and a speed of 0.47s on full decomposition of 1,000 points. Finally, we demonstrate that a Convolutional Neural Network (CNN) enhanced with FCD features, such as optimized function values, parameters, and derivatives, achieved 16.8% faster convergence and 2.5% higher accuracy over a standard CNN.

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

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

We study the problem of convergence to a stationary point in zero-sum games. We propose competitive gradient optimization (CGO ), a gradient-based method that incorporates the interactions between the two players in zero-sum games for optimization updates. We provide continuous-time analysis of CGO and its convergence properties while showing that in the continuous limit, CGO predecessors degenerate to their gradient descent ascent (GDA) variants. We provide a rate of convergence to stationary points and further propose a generalized class of alpha-coherent function for which we provide convergence analysis. We show that for strictly alpha-coherent functions, our algorithm convergences to a saddle point. Moreover, we propose optimistic CGO (OCGO), an optimistic variant, for which we show convergence rate to saddle points in alpha-coherent class of functions.

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.

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.

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.

This article reviews modern optimization methods for training neural networks with an emphasis on efficiency and scale. We present state-of-the-art optimization algorithms under a unified algorithmic template that highlights the importance of adapting to the structures in the problem. We then cover how to make these algorithms agnostic to the scale of the problem. Our exposition is intended as an introduction for both practitioners and researchers who wish to be involved in these exciting new developments.

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

Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework for Bayesian optimization that combines Monte-Carlo (MC) acquisition functions, a novel sample average approximation optimization approach, auto-differentiation, and variance reduction techniques. BoTorch's modular design facilitates flexible specification and optimization of probabilistic models written in PyTorch, simplifying implementation of new acquisition functions. Our approach is backed by novel theoretical convergence results and made practical by a distinctive algorithmic foundation that leverages fast predictive distributions, hardware acceleration, and deterministic optimization. We also propose a novel "one-shot" formulation of the Knowledge Gradient, enabled by a combination of our theoretical and software contributions. In experiments, we demonstrate the improved sample efficiency of BoTorch relative to other popular libraries.

While large and diverse datasets have driven recent advances in large models, identifying the optimal data mixture for pre-training and post-training remains a significant open problem. We address this challenge with FASTMIX, a novel framework that automates data mixture discovery while training only a single proxy model. Instead of relying on predefined heuristics or resource-intensive simulations, FASTMIX jointly optimizes mixture coefficients and model parameters, substantially improving efficiency and scalability over prior approaches. At the core of FASTMIX is a reformulation of mixture selection as a bilevel optimization problem. Under this reformulation, we show that optimizing mixture ratios is mathematically equivalent to assigning per-source loss weights under uniform source sampling. This embeds the mixture coefficients directly into the differentiable iterative optimization objective, enabling efficient, gradient-based optimization of both mixture and model. To solve the optimization problem, FASTMIX implements an approximate iterative optimization procedure, alternating between (i) updating model parameters on data sampled according to current mixture ratios (inner loop) and (ii) updating mixture ratios based on validation feedback (outer loop). Across pre- and post-training, FASTMIX outperforms baselines while drastically reducing search cost. Code (https://github.com/hrtan/fastmix)

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

We say an algorithm is batch size-invariant if changes to the batch size can largely be compensated for by changes to other hyperparameters. Stochastic gradient descent is well-known to have this property at small batch sizes, via the learning rate. However, some policy optimization algorithms (such as PPO) do not have this property, because of how they control the size of policy updates. In this work we show how to make these algorithms batch size-invariant. Our key insight is to decouple the proximal policy (used for controlling policy updates) from the behavior policy (used for off-policy corrections). Our experiments help explain why these algorithms work, and additionally show how they can make more efficient use of stale data.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.

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

We examine a simple stochastic strategy for adapting well-known single-point acquisition functions to allow batch active learning. Unlike acquiring the top-K points from the pool set, score- or rank-based sampling takes into account that acquisition scores change as new data are acquired. This simple strategy for adapting standard single-sample acquisition strategies can even perform just as well as compute-intensive state-of-the-art batch acquisition functions, like BatchBALD or BADGE, while using orders of magnitude less compute. In addition to providing a practical option for machine learning practitioners, the surprising success of the proposed method in a wide range of experimental settings raises a difficult question for the field: when are these expensive batch acquisition methods pulling their weight?

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of dimensionality and scaling to thousands of evaluations. Recently, leveraging generative models to solve black-box optimization problems has emerged as a promising framework. However, those methods often underperform compared to BO methods due to limited expressivity and difficulty of uncertainty estimation in high-dimensional spaces. To overcome these issues, we introduce DiBO, a novel framework for solving high-dimensional black-box optimization problems. Our method iterates two stages. First, we train a diffusion model to capture the data distribution and deep ensembles to predict function values with uncertainty quantification. Second, we cast the candidate selection as a posterior inference problem to balance exploration and exploitation in high-dimensional spaces. Concretely, we fine-tune diffusion models to amortize posterior inference. Extensive experiments demonstrate that our method outperforms state-of-the-art baselines across synthetic and real-world tasks. Our code is publicly available https://github.com/umkiyoung/DiBO{here}.

Learning-based methods have gained attention as general-purpose solvers due to their ability to automatically learn problem-specific heuristics, reducing the need for manually crafted heuristics. However, these methods often face scalability challenges. To address these issues, the improved Sampling algorithm for Combinatorial Optimization (iSCO), using discrete Langevin dynamics, has been proposed, demonstrating better performance than several learning-based solvers. This study proposes a different approach that integrates gradient-based update through continuous relaxation, combined with Quasi-Quantum Annealing (QQA). QQA smoothly transitions the objective function, starting from a simple convex function, minimized at half-integral values, to the original objective function, where the relaxed variables are minimized only in the discrete space. Furthermore, we incorporate parallel run communication leveraging GPUs to enhance exploration capabilities and accelerate convergence. Numerical experiments demonstrate that our method is a competitive general-purpose solver, achieving performance comparable to iSCO and learning-based solvers across various benchmark problems. Notably, our method exhibits superior speed-quality trade-offs for large-scale instances compared to iSCO, learning-based solvers, commercial solvers, and specialized algorithms.

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of thumb, or sometimes brute-force search. Much more appealing is the idea of developing automatic approaches which can optimize the performance of a given learning algorithm to the task at hand. In this work, we consider the automatic tuning problem within the framework of Bayesian optimization, in which a learning algorithm's generalization performance is modeled as a sample from a Gaussian process (GP). The tractable posterior distribution induced by the GP leads to efficient use of the information gathered by previous experiments, enabling optimal choices about what parameters to try next. Here we show how the effects of the Gaussian process prior and the associated inference procedure can have a large impact on the success or failure of Bayesian optimization. We show that thoughtful choices can lead to results that exceed expert-level performance in tuning machine learning algorithms. We also describe new algorithms that take into account the variable cost (duration) of learning experiments and that can leverage the presence of multiple cores for parallel experimentation. We show that these proposed algorithms improve on previous automatic procedures and can reach or surpass human expert-level optimization on a diverse set of contemporary algorithms including latent Dirichlet allocation, structured SVMs and convolutional neural networks.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

Planning long-horizon robot manipulation requires making discrete decisions about which objects to interact with and continuous decisions about how to interact with them. A robot planner must select grasps, placements, and motions that are feasible and safe. This class of problems falls under Task and Motion Planning (TAMP) and poses significant computational challenges in terms of algorithm runtime and solution quality, particularly when the solution space is highly constrained. To address these challenges, we propose a new bilevel TAMP algorithm that leverages GPU parallelism to efficiently explore thousands of candidate continuous solutions simultaneously. Our approach uses GPU parallelism to sample an initial batch of solution seeds for a plan skeleton and to apply differentiable optimization on this batch to satisfy plan constraints and minimize solution cost with respect to soft objectives. We demonstrate that our algorithm can effectively solve highly constrained problems with non-convex constraints in just seconds, substantially outperforming serial TAMP approaches, and validate our approach on multiple real-world robots. Project website and code: https://cutamp.github.io

Training large models with distributed data parallelism (DDP) requires frequent communication of gradients across workers, which can saturate bandwidth. Infrequent communication strategies (e.g., Local SGD) reduce this overhead but, when applied to adaptive optimizers, often suffer a performance gap relative to fully synchronous DDP. We trace this gap to a time-scale mismatch: the optimizer's fast-moving momentum, tuned for frequent updates, decays too quickly to smooth gradients over long intervals, leading to noise-dominated optimization. To address this, we propose MT-DAO, a family of optimizers that employs multiple slow- and fast-moving first momenta or the gradient to track update dynamics across different time scales, for which we provide the first convergence guarantees. Empirically, for language-model pre-training, this eliminates the performance gap with DDP, outperforming infrequent-communication baselines in perplexity and reducing iso-token wall-clock time by 6-27% on Ethernet interconnects. At the 720M scale, MT-DAO reaches a target perplexity in 24% fewer steps and 35% less time than the single-momentum DDP baseline. MT-DAO enables effective cross-datacenter training and training over wide geographic areas.

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.

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

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

Continual learning entails learning a sequence of tasks and balancing their knowledge appropriately. With limited access to old training samples, much of the current work in deep neural networks has focused on overcoming catastrophic forgetting of old tasks in gradient-based optimization. However, the normalization layers provide an exception, as they are updated interdependently by the gradient and statistics of currently observed training samples, which require specialized strategies to mitigate recency bias. In this work, we focus on the most popular Batch Normalization (BN) and provide an in-depth theoretical analysis of its sub-optimality in continual learning. Our analysis demonstrates the dilemma between balance and adaptation of BN statistics for incremental tasks, which potentially affects training stability and generalization. Targeting on these particular challenges, we propose Adaptive Balance of BN (AdaB^2N), which incorporates appropriately a Bayesian-based strategy to adapt task-wise contributions and a modified momentum to balance BN statistics, corresponding to the training and testing stages. By implementing BN in a continual learning fashion, our approach achieves significant performance gains across a wide range of benchmarks, particularly for the challenging yet realistic online scenarios (e.g., up to 7.68%, 6.86% and 4.26% on Split CIFAR-10, Split CIFAR-100 and Split Mini-ImageNet, respectively). Our code is available at https://github.com/lvyilin/AdaB2N.

In this paper we develop a dynamic form of Bayesian optimization for machine learning models with the goal of rapidly finding good hyperparameter settings. Our method uses the partial information gained during the training of a machine learning model in order to decide whether to pause training and start a new model, or resume the training of a previously-considered model. We specifically tailor our method to machine learning problems by developing a novel positive-definite covariance kernel to capture a variety of training curves. Furthermore, we develop a Gaussian process prior that scales gracefully with additional temporal observations. Finally, we provide an information-theoretic framework to automate the decision process. Experiments on several common machine learning models show that our approach is extremely effective in practice.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

Training large deep neural networks on massive datasets is computationally very challenging. There has been recent surge in interest in using large batch stochastic optimization methods to tackle this issue. The most prominent algorithm in this line of research is LARS, which by employing layerwise adaptive learning rates trains ResNet on ImageNet in a few minutes. However, LARS performs poorly for attention models like BERT, indicating that its performance gains are not consistent across tasks. In this paper, we first study a principled layerwise adaptation strategy to accelerate training of deep neural networks using large mini-batches. Using this strategy, we develop a new layerwise adaptive large batch optimization technique called LAMB; we then provide convergence analysis of LAMB as well as LARS, showing convergence to a stationary point in general nonconvex settings. Our empirical results demonstrate the superior performance of LAMB across various tasks such as BERT and ResNet-50 training with very little hyperparameter tuning. In particular, for BERT training, our optimizer enables use of very large batch sizes of 32868 without any degradation of performance. By increasing the batch size to the memory limit of a TPUv3 Pod, BERT training time can be reduced from 3 days to just 76 minutes (Table 1). The LAMB implementation is available at https://github.com/tensorflow/addons/blob/master/tensorflow_addons/optimizers/lamb.py

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

We introduce a unified framework for iterative reasoning that leverages non-Euclidean geometry via Bregman divergences, higher-order operator averaging, and adaptive feedback mechanisms. Our analysis establishes that, under mild smoothness and contractivity assumptions, a generalized update scheme not only unifies classical methods such as mirror descent and dynamic programming but also captures modern chain-of-thought reasoning processes in large language models. In particular, we prove that our accelerated iterative update achieves an O(1/t^2) convergence rate in the absence of persistent perturbations, and we further demonstrate that feedback (iterative) architectures are necessary to approximate certain fixed-point functions efficiently. These theoretical insights bridge classical acceleration techniques with contemporary applications in neural computation and optimization.

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.

Conventional agent systems often struggle in open-ended environments where task distributions continuously drift and external supervision is scarce. Their reliance on static toolsets or offline training lags behind these dynamics, leaving the system's capability boundaries rigid and unknown. To address this, we propose the In-Situ Self-Evolving paradigm. This approach treats sequential task interactions as a continuous stream of experience, enabling the system to distill short-term execution feedback into long-term, reusable capabilities without access to ground-truth labels. Within this framework, we identify tool evolution as the critical pathway for capability expansion, which provides verifiable, binary feedback signals. Within this framework, we develop Yunjue Agent, a system that iteratively synthesizes, optimizes, and reuses tools to navigate emerging challenges. To optimize evolutionary efficiency, we further introduce a Parallel Batch Evolution strategy. Empirical evaluations across five diverse benchmarks under a zero-start setting demonstrate significant performance gains over proprietary baselines. Additionally, complementary warm-start evaluations confirm that the accumulated general knowledge can be seamlessly transferred to novel domains. Finally, we propose a novel metric to monitor evolution convergence, serving as a function analogous to training loss in conventional optimization. We open-source our codebase, system traces, and evolved tools to facilitate future research in resilient, self-evolving intelligence.

Continual learning with an increasing number of classes is a challenging task. The difficulty rises when each example is presented exactly once, which requires the model to learn online. Recent methods with classic parameter optimization procedures have been shown to struggle in such setups or have limitations like non-differentiable components or memory buffers. For this reason, we present the fully differentiable ensemble method that allows us to efficiently train an ensemble of neural networks in the end-to-end regime. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods. The conducted experiments have also shown a significant increase in the performance for small ensembles, which demonstrates the capability of obtaining relatively high classification accuracy with a reduced number of classifiers.

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

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

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

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.

The optimization algorithm and its hyperparameters can significantly affect the training speed and resulting model accuracy in machine learning applications. The wish list for an ideal optimizer includes fast and smooth convergence to low error, low computational demand, and general applicability. Our recently introduced continual resilient (CoRe) optimizer has shown superior performance compared to other state-of-the-art first-order gradient-based optimizers for training lifelong machine learning potentials. In this work we provide an extensive performance comparison of the CoRe optimizer and nine other optimization algorithms including the Adam optimizer and resilient backpropagation (RPROP) for diverse machine learning tasks. We analyze the influence of different hyperparameters and provide generally applicable values. The CoRe optimizer yields best or competitive performance in every investigated application, while only one hyperparameter needs to be changed depending on mini-batch or batch learning.

We propose training fitted Q-iteration with log-loss (FQI-LOG) for batch reinforcement learning (RL). We show that the number of samples needed to learn a near-optimal policy with FQI-LOG scales with the accumulated cost of the optimal policy, which is zero in problems where acting optimally achieves the goal and incurs no cost. In doing so, we provide a general framework for proving small-cost bounds, i.e. bounds that scale with the optimal achievable cost, in batch RL. Moreover, we empirically verify that FQI-LOG uses fewer samples than FQI trained with squared loss on problems where the optimal policy reliably achieves the goal.

As hyperparameter tuning becomes increasingly costly at scale, efficient tuning methods are essential. Yet principles for guiding hyperparameter tuning remain limited. In this work, we seek to establish such principles by considering a broad range of hyperparameters, including batch size, learning rate, and weight decay. We identify a phenomenon we call trajectory invariance, where pre-training loss curves, gradient noise, and gradient norm exhibit invariance--closely overlapping--with respect to a quantity that combines learning rate and weight decay. This phenomenon effectively reduces the original two-dimensional hyperparameter space to one dimension, yielding an efficient tuning rule: follow the salient direction revealed by trajectory invariance. Furthermore, we refine previous scaling laws and challenge several existing viewpoints. Overall, our work proposes new principles for efficient tuning and inspires future research on scaling laws.

Most downstream adaptation methods tune all or part of the parameters of pre-trained models (PTMs) through gradient descent, where the tuning cost increases linearly with the growth of the model size. By contrast, gradient-free methods only require the forward computation of the PTM to tune the prompt, retaining the benefits of efficient tuning and deployment. Though, past work on gradient-free tuning often introduces gradient descent to seek a good initialization of prompt and lacks versatility across tasks and PTMs. In this paper, we present BBTv2, an improved version of Black-Box Tuning, to drive PTMs for few-shot learning. We prepend continuous prompts to every layer of the PTM and propose a divide-and-conquer gradient-free algorithm to optimize the prompts at different layers alternately. Extensive experiments across various tasks and PTMs show that BBTv2 can achieve comparable performance to full model tuning and state-of-the-art parameter-efficient methods (e.g., Adapter, LoRA, BitFit, etc.) under few-shot settings while maintaining much fewer tunable parameters.

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.

A variety of widely used optimization methods like SignSGD and Muon can be interpreted as instances of steepest descent under different norm-induced geometries. In this work, we study the implicit bias of mini-batch stochastic steepest descent in multi-class classification, characterizing how batch size, momentum, and variance reduction shape the limiting max-margin behavior and convergence rates under general entry-wise and Schatten-p norms. We show that, without momentum, worst-case convergence and successful classification can only be guaranteed with full-batch gradient. In contrast, momentum enables small-batch convergence to an approximate max-margin solution through a batch-momentum trade-off, though it slows convergence. This approach provides fully explicit, dimension-free rates that improve upon prior results. Moreover, we prove that variance reduction can recover the exact full-batch implicit bias for any batch size, albeit at a slower convergence rate. Finally, we further investigate the batch-size-one steepest descent without momentum, and reveal its convergence to a fundamentally different bias via a concrete data example, which reveals a key limitation of purely stochastic updates. Overall, our unified analysis clarifies when stochastic optimization aligns with full-batch behavior, and paves the way for perform deeper explorations of the training behavior of stochastic gradient steepest descent algorithms.

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}.

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.

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.

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

Distilled autoregressive diffusion models facilitate real-time short video synthesis but suffer from severe error accumulation during long-sequence generation. While existing Test-Time Optimization (TTO) methods prove effective for images or short clips, we identify that they fail to mitigate drift in extended sequences due to unstable reward landscapes and the hypersensitivity of distilled parameters. To overcome these limitations, we introduce Test-Time Correction (TTC), a training-free alternative. Specifically, TTC utilizes the initial frame as a stable reference anchor to calibrate intermediate stochastic states along the sampling trajectory. Extensive experiments demonstrate that our method seamlessly integrates with various distilled models, extending generation lengths with negligible overhead while matching the quality of resource-intensive training-based methods on 30-second benchmarks.

Research in Curriculum Learning has shown better performance on the task by optimizing the sequence of the training data. Recent works have focused on using complex reinforcement learning techniques to find the optimal data ordering strategy to maximize learning for a given network. In this paper, we present a simple yet efficient technique based on continuous optimization trained with auto-encoding procedure. We call this new approach Training Sequence Optimization (TSO). With a usual encoder-decoder setup we try to learn the latent space continuous representation of the training strategy and a predictor network is used on the continuous representation to predict the accuracy of the strategy on the fixed network architecture. The performance predictor and encoder enable us to perform gradient-based optimization by gradually moving towards the latent space representation of training data ordering with potentially better accuracy. We show an empirical gain of 2AP with our generated optimal curriculum strategy over the random strategy using the CIFAR-100 and CIFAR-10 datasets and have better boosts than the existing state-of-the-art CL algorithms.

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.

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.

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 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.

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.

We study a family of distributed stochastic optimization algorithms where gradients are sampled by a token traversing a network of agents in random-walk fashion. Typically, these random-walks are chosen to be Markov chains that asymptotically sample from a desired target distribution, and play a critical role in the convergence of the optimization iterates. In this paper, we take a novel approach by replacing the standard linear Markovian token by one which follows a nonlinear Markov chain - namely the Self-Repellent Radom Walk (SRRW). Defined for any given 'base' Markov chain, the SRRW, parameterized by a positive scalar {\alpha}, is less likely to transition to states that were highly visited in the past, thus the name. In the context of MCMC sampling on a graph, a recent breakthrough in Doshi et al. (2023) shows that the SRRW achieves O(1/{\alpha}) decrease in the asymptotic variance for sampling. We propose the use of a 'generalized' version of the SRRW to drive token algorithms for distributed stochastic optimization in the form of stochastic approximation, termed SA-SRRW. We prove that the optimization iterate errors of the resulting SA-SRRW converge to zero almost surely and prove a central limit theorem, deriving the explicit form of the resulting asymptotic covariance matrix corresponding to iterate errors. This asymptotic covariance is always smaller than that of an algorithm driven by the base Markov chain and decreases at rate O(1/{\alpha}^2) - the performance benefit of using SRRW thereby amplified in the stochastic optimization context. Empirical results support our theoretical findings.

We consider the problem of finding an input to a stochastic black box function such that the scalar output of the black box function is as close as possible to a target value in the sense of the expected squared error. While the optimization of stochastic black boxes is classic in (robust) Bayesian optimization, the current approaches based on Gaussian processes predominantly focus either on i) maximization/minimization rather than target value optimization or ii) on the expectation, but not the variance of the output, ignoring output variations due to stochasticity in uncontrollable environmental variables. In this work, we fill this gap and derive acquisition functions for common criteria such as the expected improvement, the probability of improvement, and the lower confidence bound, assuming that aleatoric effects are Gaussian with known variance. Our experiments illustrate that this setting is compatible with certain extensions of Gaussian processes, and show that the thus derived acquisition functions can outperform classical Bayesian optimization even if the latter assumptions are violated. An industrial use case in billet forging is presented.