Black-box algorithms aim to optimize functions without access to their analytical structure or gradient information, making them essential when gradients are unavailable or computationally expensive to obtain. Traditional methods for black-box optimization (BBO) primarily utilize non-parametric models, but these approaches often struggle to scale effectively in large input spaces. Conversely, parametric approaches, which rely on neural estimators and gradient signals via backpropagation, frequently encounter substantial gradient estimation errors, limiting their reliability. Explicit Gradient Learning (EGL), a recent advancement, directly learns gradients using a first-order Taylor approximation and has demonstrated superior performance compared to both parametric and non-parametric methods. However, EGL inherently remains local and myopic, often faltering on highly non-convex optimization landscapes. In this work, we address this limitation by integrating global statistical insights from the evolutionary algorithm CMA-ES into the gradient learning framework, effectively biasing gradient estimates towards regions with higher optimization potential. Moreover, we enhance the gradient learning process by estimating the Hessian matrix, allowing us to correct the second-order residual of the Taylor series approximation. Our proposed algorithm, EvoGrad2 (Evolutionary Gradient Learning with second-order approximation), achieves state-of-the-art results on the synthetic COCO test suite, exhibiting significant advantages in high-dimensional optimization problems. We further demonstrate EvoGrad2's effectiveness on challenging real-world machine learning tasks, including adversarial training and code generation, highlighting its ability to produce more robust, high-quality solutions. Our results underscore EvoGrad2's potential as a powerful tool for researchers and practitioners facing complex, high-dimensional, and non-linear optimization problems.
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Clustering is a long-standing research problem and a fundamental tool in AI and data analysis. The traditional k-center problem, known as a fundamental theoretical challenge in clustering, has a best possible approximation ratio of 2, and any improvement to a ratio of 2 - ε would imply P = NP. In this work, we study the constrained k-center clustering problem, where instance-level cannot-link (CL) and must-link (ML) constraints are incorporated as background knowledge. Although general CL constraints significantly increase the hardness of approximation, previous work has shown that disjoint CL sets permit constant-factor approximations. However, whether local search can achieve such a guarantee in this setting remains an open question. To this end, we propose a novel local search framework based on a transformation to a dominating matching set problem, achieving the best possible approximation ratio of 2. The experimental results on both real-world and synthetic datasets demonstrate that our algorithm outperforms baselines in solution quality.
The Profiled Vehicle Routing Problem (PVRP) extends the classical VRP by incorporating vehicle–client-specific preferences and constraints, reflecting real‑world requirements such as zone restrictions and service‑level preferences. While recent reinforcement‑learning solvers have shown promising performance, they require retraining for each new profile distribution, suffer from poor representation ability, and struggle to generalize to out‑of‑distribution instances. In this paper, we address these limitations by introducing Unified Solver for Profiled Routing (USPR), a novel framework that natively handles arbitrary profile types. USPR introduces on three key innovations: (i) Profile Embeddings (PE) to encode any combination of profile types; (ii) Multi‑Head Profiled Attention (MHPA), an attention mechanism that models rich interactions between vehicles and clients; (iii) Profile‑aware Score Reshaping (PSR), which dynamically adjusts decoder logits using profile scores to improve generalization. Empirical results on diverse PVRP benchmarks demonstrate that USPR achieves state‑of‑the‑art results among learning‑based methods while offering significant gains in flexibility and computational efficiency. We make our source code publicly available to foster future research.
Pareto-Grid-Guided Large Language Models for Fast and High-Quality Heuristics Design in Multi-Objective Combinatorial Optimization
PDF ↗Multi-objective combinatorial optimization problems (MOCOP) frequently arise in practical applications that require the simultaneous optimization of conflicting objectives. Although traditional evolutionary algorithms can be effective, they typically depend on domain knowledge and repeated parameter tuning, limiting flexibility when applied to unseen MOCOP instances. Recently, integration of Large Language Models (LLMs) into evolutionary computation has opened new avenues for automatic heuristic generation, using their advanced language understanding and code synthesis capabilities. Nevertheless, most existing approaches predominantly focus on single-objective tasks, often neglecting key considerations such as runtime efficiency and heuristic diversity in multi-objective settings. To bridge this gap, we introduce Multi-heuristics for MOCOP via Pareto-Grid-guided Evolution of LLMs (MPaGE), a novel enhancement of the Simple Evolutionary Multiobjective Optimization (SEMO) framework that leverages LLMs and Pareto Front Grid (PFG) technique. By partitioning the objective space into grids and retaining top-performing candidates to guide heuristic generation, MPaGE utilizes LLMs to prioritize heuristics with semantically distinct logical structures during variation, thus promoting diversity and mitigating redundancy within the population. Through extensive evaluations, MPaGE demonstrates superior performance over existing LLM-based frameworks, and achieves competitive results to traditional Multi-objective evolutionary algorithms (MOEAs), with significantly faster runtime.
Many sequential decision-making problems can be formulated as shortest-path problems, where the objective is to reach a goal state from a given starting state. Heuristic search is a standard approach for solving such problems, relying on a heuristic function to estimate the cost to the goal from any given state. Recent approaches leverage reinforcement learning to learn heuristics by applying deep approximate value iteration. These methods typically rely on single-step Bellman updates, where the heuristic of a state is updated based on its best neighbor and the corresponding edge cost. This work proposes a generalized approach that enhances both state sampling and heuristic updates by performing limited-horizon searches and updating each state's heuristic based on the shortest path to the search frontier, incorporating both edge costs and the heuristic values of frontier states.
Many real-world applications call for incorporating fairness constraints into the k-center clustering problem, where the dataset is partitioned into m demographic groups, each with a specified upper bound on the number of centers to ensure fairness. Focusing on big data scenarios, this paper addresses the problem in a streaming setting, where data points arrive sequentially in a continuous stream. Leveraging a structure called the λ-independent center set, we propose a one-pass streaming algorithm that first computes a reserved set of points during the streaming process. In the post-streaming process, we then select centers from the reserved point set by analyzing three possible cases and transforming the most complex one into a specially constrained vertex-cover problem on an auxiliary graph. Our algorithm achieves an approximation ratio of 5 + ? and memory complexity O(k log ?), where ? is the aspect ratio and ? > 0 is any small constant. Furthermore, we extend our approach to semi-structured data streams, where data points arrive in groups. In this setting, we present a (3 + ?)-approximation algorithm for m = 2, which can be readily adapted to solve the offline fair k-center problem, achieving an approximation ratio of 3 that matches the current state of the art. Lastly, we conduct extensive experiments to evaluate the performance of our approaches, demonstrating that they outperform existing baselines in both clustering cost and runtime efficiency.
Utilitarian algorithm configuration identifies a parameter setting for a given algorithm that maximizes a user's utility. Utility functions offer a theoretically well-grounded approach to optimizing decision-making under uncertainty and are flexible enough to capture a user's preferences over algorithm runtimes (e.g., they can describe a sharp cutoff after which a solution is no longer required, a per-hour cost for compute, or diminishing returns from algorithms that take longer to run). COUP is a recently-introduced utilitarian algorithm configuration procedure which was designed mainly to offer strong theoretical guarantees about the quality of the configuration it returns, with less attention paid to its practical performance. This paper closes that gap, bringing theoretically-grounded, utilitarian algorithm configuration to the point where it is competitive with widely used, heuristic configuration procedures that offer no performance guarantees. We present a series of improvements to COUP that improve its empirical performance without degrading its theoretical guarantees and demonstrate their benefit experimentally. Using a case study, we also illustrate ways of exploring the robustness of a given solution to the algorithm selection problem to variations in the utility function.
This paper studies submodular maximization over matroids in the fully dynamic setting, where elements of an underlying ground set undergo sequential insertions and deletions. The goal is to maintain an approximate optimal solution for the current element set with a low amortized update time. For monotone submodular functions, we propose a dynamic algorithm achieving a (0.3178 - epsilon)-approximation using O-tilde(k^3) expected amortized queries, where k is the rank of the matroid constraint. Furthermore, we extend our approach to the non-monotone submodular maximization setting, obtaining a (0.1921 - epsilon)-approximation with the same update complexity. Both algorithms improve upon the best known approximation guarantees, which are (0.25 - epsilon) for the monotone case and (0.0932 - epsilon) for the non-monotone case.
A Parallel CPU-GPU Framework for Batching Heuristic Operations in Depth-First Heuristic Search
PDF ↗The rapid advancement of GPU technology has unlocked powerful parallel processing capabilities, creating new opportunities to enhance classic search algorithms. This hardware has been exploited in best-first search algorithms with neural network-based heuristics by creating batched versions of A* and Weighted A* that delay heuristic evaluation until sufficiently many states can be evaluated in parallel on the GPU. But, research has not addressed how depth-first algorithms like IDA* or Budgeted Tree Search (BTS) can have their heuristic computations batched. This is more complicated in a tree search, because progress in the search tree is blocked until heuristic evaluations are complete. In this paper we show that GPU parallelization of heuristics can be effectively performed when the tree search is parallelized on the CPU while heuristic evaluations are parallelized on the GPU. We develop a parallelized cost-bounded depth-first search (CB-DFS) framework that can be applied to both IDA* and BTS, significantly improving their performance. We demonstrate the strength of the approach on the 3x3 Rubik's Cube and the 4x4 sliding tile puzzle (STP) with both classifier-based and regression-based heuristics.
We propose ECPv2, a scalable and theoretically grounded algorithm for global optimization of Lipschitz continuous functions with unknown Lipschitz constants. Building on the Every Call is Precious (ECP) framework, which ensures that each accepted function evaluation is potentially informative, ECPv2 addresses key limitations of ECP, including high computational cost and overly conservative early behavior. ECPv2 introduces three innovations: (i) an adaptive lower bound that prevents vacuous acceptance regions, (ii) a memory mechanism that restricts comparisons to a fixed-size subset of past evaluations, and (iii) a fixed random projection that accelerates distance computations in high dimensions. We theoretically show that ECPv2 retains ECP’s regret guarantees and expands the acceptance region with high probability. Extensive experiments and ablation studies empirically validate these findings. Using principled hyperparameter settings, we evaluate ECPv2 across a wide range of nonconvex optimization problems and find that it consistently matches or outperforms leading optimizers while significantly reducing wall clock time.
Neural solvers have demonstrated remarkable success in combinatorial optimization, often surpassing traditional heuristics in speed, solution quality, and generalization. However, their efficacy deteriorates significantly when confronted with complex constraints that cannot be effectively managed through simple masking mechanisms. To address this limitation, we introduce Universal Constrained Preference Optimization (UCPO), a novel plug-and-play framework that seamlessly integrates preference learning into existing neural solvers via a specially designed loss function, without requiring architectural modifications. UCPO embeds constraint satisfaction directly into a preference-based objective, eliminating the need for meticulous hyperparameter tuning. Leveraging a lightweight warm-start fine-tuning protocol, UCPO enables pre-trained models to consistently produce near-optimal, feasible solutions on challenging constraint-laden tasks, achieving exceptional performance with as little as 1% of the original training budget.
Meta-Black-Box Optimization with Bi-Space Landscape Analysis and Dual-Control Mechanism for SAEA
PDF ↗Surrogate-Assisted Evolutionary Algorithms (SAEAs) are widely used for expensive Black-Box Optimization. However, their reliance on rigid, manually designed components such as infill criteria and evolutionary strategies during the search process limits their flexibility across tasks. To address these limitations, we propose Dual-Control Bi-Space Surrogate-Assisted Evolutionary Algorithm (DB-SAEA), a Meta-Black-Box Optimization (MetaBBO) framework tailored for multi-objective problems. DB-SAEA learns a meta-policy that jointly regulates candidate generation and infill criterion selection, enabling dual control. The bi-space Exploratory Landscape Analysis (ELA) module in DB-SAEA adopts an attention-based architecture to capture optimization states from both true and surrogate evaluation spaces, while ensuring scalability across problem dimensions, population sizes, and objectives. Additionally, we integrate TabPFN as the surrogate model for accurate and efficient prediction with uncertainty estimation. The framework is trained via reinforcement learning, leveraging parallel sampling and centralized training to enhance efficiency and transferability across tasks. Experimental results demonstrate that DB-SAEA not only outperforms state-of-the-art baselines across diverse benchmarks, but also exhibits strong zero-shot transfer to unseen tasks with higher-dimensional settings. This work introduces the first MetaBBO framework with dual-level control over SAEAs and a bi-space ELA that captures surrogate model information.
The Euclidean Shortest Path Problem (ESPP) is a classic problem which requires finding the shortest path in a Euclidean plane with polygonal obstacles. The state-of-the-art solution, Euclidean Hub Labeling (EHL), offers ultra-fast query performance but comes with significant memory overhead, requiring up to tens of gigabytes of storage on large maps, limiting its use in memory-constrained environments like mobile phones. Additionally, EHL's memory usage can only be determined after index construction, and while it provides a memory-runtime tradeoff, it does not fully optimize memory utilization. In this work, we introduce an improved version of EHL, called EHL*, which overcomes these limitations. A key contribution of EHL* is its ability to create an index that adheres to a specified memory budget while optimizing query runtime performance. Moreover, EHL* can leverage pre-known query distributions, a common scenario in many real-world applications, to further enhance runtime efficiency. Our results show that EHL* can reduce memory usage by up to 10-20 times without much impact on query runtime performance compared to EHL, making it a highly effective solution for optimal pathfinding in memory-constrained environments. We also present a theoretical analysis comparing EHL* with EHL, providing insights into their indexing and query processing cost.
We study a Stackelberg variant of the classical Most Vital Links problem, modeled as a one-round adversarial game between an attacker and a defender. The attacker strategically removes up to k edges from a flow network to maximally disrupt flow between a source s and a sink t, after which the defender optimally reroutes the remaining flow. To capture this attacker–defender interaction, we introduce a new mathematical model of discounted cuts, in which the cost of a cut is evaluated by excluding its k most expensive edges. This model generalizes the Most Vital Links problem and uncovers novel algorithmic and complexity-theoretic properties. We develop a unified algorithmic framework for analyzing various forms of discounted cut problems, including minimizing or maximizing the cost of a cut under discount mechanisms that exclude either the k most expensive or the k cheapest edges. While most variants are NP-complete on general graphs, our main result establishes polynomial-time solvability for all discounted cut problems in our framework when the input is restricted to bounded-genus graphs, a relevant class that includes many real-world networks such as transportation and infrastructure networks. With this work, we aim to open collaborative bridges between artificial intelligence, algorithmic game theory, and operations research.
Finding a few solutions for a given problem that are diverse, as opposed to finding a single best solution to solve the problem, has recently become a notable topic in theoretical computer science. Recently, Baste, Fellows, Jaffke, Masařík, Oliveira, Philip, and Rosamond showed that under a standard structural parameterization by treewidth, one can find a set of diverse solutions for many problems with only a very small additional cost [Artificial Intelligence 2022]. In this paper, we investigate a much stronger graph parameter, the cliquewidth, which can additionally describe some dense graph classes. Broadly speaking, it describes graphs that can be recursively constructed by a few operations defined on graphs whose vertices are divided into a bounded number of groups, while each such group behaves uniformly with respect to any operation. We show that for any vertex problem, if we are given a dynamic program solving that problem on cliquewidth decomposition, we can modify it to produce a few solutions that are as diverse as possible with as little overhead as in the above-mentioned treewidth paper. As a consequence, we prove that a diverse version of any MSO1 expressible problem can be solved in linear FPT time parameterized by the cliquewidth, the number of sought solutions, and the number of quantifiers in the formula, which was a natural missing piece in the complexity landscape of structural graph parameters and logic for the diverse problems. We prove our results, allowing for a more general natural collection of diversity functions compared to only two mostly studied diversity functions previously. That might be of independent interest as a larger pool of different diversity functions can highlight various aspects of different solutions to a problem.
Together with the NSGA-II, the SPEA2 is one of the most widely used domination-based multi-objective evolutionary algorithms. For both algorithms, the known runtime guarantees are linear in the population size; for the NSGA-II, matching lower bounds exist. With a careful study of the more complex selection mechanism of the SPEA2, we show that it has very different population dynamics. From these, we prove runtime guarantees for the OneMinMax, LeadingOnesTrailingZeros, and OneJumpZeroJump benchmarks that depend less on the population size. For example, we show that the SPEA2 with parent population size mu >= n - 2k + 3 and offspring population size lambda computes the Pareto front of the OneJumpZeroJump benchmark with gap size k in an expected number of O((lambda+mu)n + n^(k+1)) function evaluations. This shows that the best runtime guarantee of O(n^(k+1)) is not only achieved for mu = Theta(n) and lambda = O(n) but for arbitrary mu, lambda = O(n^k). Thus, choosing suitable parameters - a key challenge in using heuristic algorithms - is much easier for the SPEA2 than the NSGA-II.
Stochastic Decentralized Optimization of Non-Smooth Convex and Convex-Concave Problems over Time-Varying Networks
PDF ↗We study non-smooth stochastic decentralized optimization problems over time-varying networks, where objective functions are distributed across nodes and network connections may intermittently appear or break. Specifically, we consider two settings: (i) stochastic non-smooth (strongly) convex optimization, and (ii) stochastic non-smooth (strongly) convex–(strongly) concave saddle point optimization. Convex problems of this type commonly arise in deep neural network training, while saddle point problems are central to machine learning tasks such as the training of generative adversarial networks (GANs). Prior works have primarily focused on the smooth setting, or time-invariant network scenarios. We extend the existing theory to the more general non-smooth and stochastic setting over time-varying networks and saddle point problems. Our analysis establishes upper bounds on both the number of stochastic oracle calls and communication rounds, matching lower bounds for both convex and saddle point optimization problems.
Proof-Number Search is a best-first search algorithm with many successful applications, especially in game solving. As large-scale computing clusters become increasingly accessible, parallelization is a natural way to accelerate computation. However, existing parallel versions of Proof-Number Search are known to scale poorly on many CPU cores. Using two parallelized levels and shared information among workers, we present the first massively parallel version of Proof-Number Search that scales efficiently even on a large number of CPUs. We apply our solver, enhanced with Grundy numbers for reducing game trees of impartial games, to the Sprouts game, a case study motivated by the long-standing Sprouts Conjecture. Our algorithm achieves 332.9x speedup on 1024 cores, significantly improving previous parallelizations and outperforming the state-of-the-art Sprouts solver GLOP by four orders of magnitude in runtime while generating proofs 1,000x more complex. Despite exponential growth in game tree size, our solver verified the Sprouts Conjecture for 42 new positions, nearly doubling the number of known outcomes.
Parametric multi-objective optimization (PMO) addresses the challenge of solving an infinite family of multi-objective optimization problems, where optimal solutions must adapt to varying parameters. Traditional methods require re-execution for each parameter configuration, leading to prohibitive costs when objective evaluations are computationally expensive. To address this issue, we propose Parametric Pareto Set Learning with multi-objective Bayesian Optimization (PPSL-MOBO), a novel framework that learns a unified mapping from both preferences and parameters to Pareto-optimal solutions. PPSL-MOBO leverages a hypernetwork with Low-Rank Adaptation (LoRA) to efficiently capture parametric variations, while integrating Gaussian process surrogates and hypervolume-based acquisition to minimize expensive function evaluations. We demonstrate PPSL-MOBO's effectiveness on two challenging applications: multi-objective optimization with shared components, where certain design variables must be identical across solution families due to modular constraints, and dynamic multi-objective optimization, where objectives evolve over time. Unlike existing methods that cannot directly solve PMO problems in a unified manner, PPSL-MOBO learns a single model that generalizes across the entire parameter space. By enabling instant inference of Pareto sets for new parameter values without retraining, PPSL-BO provides an efficient solution for expensive PMO problems.
Recent work has shown that machine-learned predictions can provably improve the performance of classic algorithms. In this work, we propose the first minimum-cost network flow algorithm augmented with a dual prediction. Our method is based on a classic minimum-cost flow algorithm, namely ε-relaxation. We provide time complexity bounds in terms of the infinity norm prediction error, which is both consistent and robust. We also prove sample complexity bounds for PAC-learning the prediction. We empirically validate our theoretical results on two applications of minimum-cost flow, i.e., traffic networks and chip escape routing, in which we learn a fixed prediction, and a feature-based neural network model to infer the prediction, respectively. Experimental results illustrate 12.74× and 1.64× average speedup on two applications.