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 Optimization


ALE-Bench: ABenchmark for Long-Horizon Objective-Driven Algorithm Engineering

Neural Information Processing Systems

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.


How Memory in Optimization Algorithms Implicitly Modifies the Loss

Neural Information Processing Systems

In modern optimization methods used in deep learning, each update depends on the history of previous iterations, often referred to as memory, and this dependence decays fast as the iterates go further into the past. For example, gradient descent with momentum has exponentially decaying memory through exponentially averaged past gradients. We introduce a general technique for identifying a memoryless algorithm that approximates an optimization algorithm with memory. It is obtained by replacing all past iterates in the update by the current one, and then adding a correction term arising from memory (also a function of the current iterate). This correction term can be interpreted as a perturbation of the loss, and the nature of this perturbation can inform how memory implicitly (anti-)regularizes the optimization dynamics. As an application of our theory, we find that Lion does not have the kind of implicit anti-regularization induced by memory that AdamW does, providing a theory-based explanation for Lion's better generalization performance recently documented [13]. Empirical evaluations confirm our theoretical findings.


Effective Neural Approximations for Geometric Optimization Problems

Neural Information Processing Systems

Neural networks offer a promising data-driven approach to tackle computationally challenging optimization problems. In this work, we introduce neural approximation frameworks for a family of geometric "extent measure" problems, including shape-fitting descriptors (e.g.


Partition to Evolve: Niching-enhanced Evolution with LLMs for Automated Algorithm Discovery

Neural Information Processing Systems

Large language model-assisted Evolutionary Search (LES) has emerged as a promising approach for Automated Algorithm Discovery (AAD). While many evolutionary search strategies have been developed for classic optimization problems, LES operates in abstract language spaces, presenting unique challenges for applying these strategies effectively. To address this, we propose a general LES framework that incorporates feature-assisted niche construction within abstract search spaces, enabling the seamless integration of niche-based search strategies from evolutionary computation. Building on this framework, we introduce PartEvo (Partition to Evolve), an LES method that combines niche collaborative search and advanced prompting strategies to improve algorithm discovery efficiency. Experiments on both synthetic and real-world optimization problems show that PartEvo outperforms human-designed baselines and surpasses prior LES methods. In particular, on resource scheduling tasks, PartEvo generates meta-heuristics with low design costs, achieving up to 90.1% performance improvement over widely-used baseline algorithms, highlighting its potential for real-world applications.


Subsampling for supervised learning in reproducing kernel Hilbert spaces

arXiv.org Machine Learning

In the era of big data, subsampling became a common practice in statistical learning. By selecting a subgroup of individuals based on which the learner is trained, subsampling aims at reducing the computational cost and time of the estimation step, and ideally leads to a decrease of its energy consumption and carbon footprint. This work focuses on a nonparametric setting, in which the hypotheses set lies in a reproducing kernel Hilbert space, and the estimator is a minimizer of an empirical risk reweighted à la Horvitz-Thompson. By studying the asymptotic properties of this estimator, we reveal an optimal subsampling scheme (regarding the trace of the covariance operator) and show that it can be used via plug-in. A numerical study on synthetic and real-world datasets shows the practicability and the benefit of the proposed approach.


Time Series Classification through Diffeomorphic Time Warping (DiffTW)

arXiv.org Machine Learning

Time series classification involves learning a mapping from a continuous, temporally ordered sequence of real-valued observations to a discrete response variable, like class labels. This task is fundamental in domains, including health monitoring, where the temporal structure of data is critical for accurate prediction. Dynamic Time Warping (DTW) is a standard technique for measuring similarity between sequences varying in time or speed. However, DTW is restricted to discrete point matching. To move beyond pairwise alignment, we propose a theoretical framework that learns mappings between real-valued functions. These mappings approximate the flow associated with the characteristic curves of a linear transport equation with a space-dependent velocity field, providing a diffeomorphic transformation between two time series. Using the method of characteristics, we transform this partial differential equation into ordinary differential equations (ODEs) modeling system dynamics. The objective function used to learn these ODEs derives from the fundamental theorem of calculus. To enable flexible, expressive representations of the velocity field, we utilize reproducing kernel Hilbert spaces and optimal control methods. Our method, Diffeomorphic Time Warping (DiffTW), provides a theoretically grounded dissimilarity measure. Using a 1-nearest neighbor classifier, DiffTW outperforms DTW on 60 of 86 datasets.


Offline Actor-Critic for Average Reward MDPs

Neural Information Processing Systems

We study offline policy optimization for infinite-horizon average-reward Markov decision processes (MDPs) with large or infinite state spaces. Specifically, we propose a pessimistic version of actor-critic methods using a computationally efficient linear function class for value function estimation. At the core of our method is a critic that computes a pessimistic estimate of the average reward under the current policy, as well as the corresponding policy gradient, by solving a fixedpoint Bellman equation, rather than solving a successive sequence of regression problems as in finite horizon settings. Due to the nature of our policy-based method, the critic only needs to solve a linear optimization problem with convex quadratic constraints. We show that a very mild data coverage requirement is sufficient for our algorithm to achieve O(ε 2) sample complexity for learning a near-optimal policy up to model misspecification errors. To our knowledge, this is the first result with optimal εdependence in the offline average reward setting.


Inference-time Alignment in Continuous Space

Neural Information Processing Systems

Aligning large language models with human feedback at inference time has received increasing attention due to its flexibility. Existing methods rely on generating multiple responses from the base policy for search using a reward model, which can be considered as searching in a discrete response space. However, these methods struggle to explore informative candidates when the base policy is weak or the candidate set is small, resulting in limited effectiveness. In this paper, to address this problem, we propose Simple Energy Adaptation (SEA), a simple yet effective algorithm for inference-time alignment.


Faster Algorithms for Structured John Ellipsoid Computation

Neural Information Processing Systems

The famous theorem of Fritz John states that any convex body has a unique maximal volume inscribed ellipsoid, known as the John Ellipsoid. Computing the John Ellipsoid is a fundamental problem in convex optimization. In this paper, we focus on approximating the John Ellipsoid inscribed in a convex and centrally symmetric polytope defined by P:= {x Rd: 1n Ax 1n}, where A Rn d is a rank-d matrix and 1n Rn is the all-ones vector. We develop two efficient algorithms for approximating the John Ellipsoid. The first is a sketchingbased algorithm that runs in nearly input-sparsity time eO(nnz(A)+dω), where nnz(A)denotes the number of nonzero entries in the matrix Aand ω 2.37is the current matrix multiplication exponent. The second is a treewidth-based algorithm that runs in time eO(nτ2), where τ is the treewidth of the dual graph of the matrix A. Our algorithms significantly improve upon the state-of-the-art running time of eO(nd2)achieved by [Cohen, Cousins, Lee, and Yang, COLT 2019].


metaTextGrad: Automatically optimizing language model optimizers

Neural Information Processing Systems

Large language models (LLMs) are increasingly used in learning algorithms, evaluations, and optimization tasks. Recent studies have shown that using LLM-based optimizers to automatically optimize model prompts, demonstrations, predictions themselves, or other components can significantly enhance the performance of AI systems, as demonstrated by frameworks such as DSPy and TextGrad. However, optimizers built on language models themselves are usually designed by humans with manual design choices; optimizers themselves are not optimized. Moreover, these optimizers are general purpose by design, to be useful to a broad audience, and are not tailored for specific tasks. To address these challenges, we propose metaTextGrad, which focuses on designing a meta-optimizer to further enhance existing optimizers and align them to be good optimizers for a given task. Our approach consists of two key components: a meta prompt optimizer and a meta structure optimizer. The combination of these two significantly improves performance across multiple benchmarks, achieving an average absolute performance improvement of up to 6% compared to the best baseline.