Combinatorial Optimization

Self-supervised learning for combinatorial optimization has emerged as a promising paradigm for solving discrete optimization problems with neural networks, but a central challenge remains: handling hard combinatorial constraints within continuous, gradient-based training. Continuously extending combinatorial objectives to convex domains is a powerful technique, yet existing approaches often require projection steps that constrain neural network outputs to lie inside the feasible polytope and rely on ad-hoc and problem-specific constructions. We propose a general framework in which the neural network is allowed to predict arbitrary continuous vectors that could potentially lie outside of the feasible polytope. These predictions are then approximated by sparse convex combinations of feasible solutions using a geometric decomposition algorithm based on Frank--Wolfe methods and approximate Caratheodory results. This decomposition induces an a.e.-differentiable, self-supervised loss defined as the expected value of the discrete objective. The same procedure provides an automatic rounding guarantee at inference time. We demonstrate strong empirical performance across multiple combinatorial problems, including the Quadratic Assignment Problem, Maximum Coverage, and the Traveling Salesperson Problem.

Real-time applications often rely on optimization approaches that can find high-quality solutions to hard problems on the order of milliseconds. Metaheuristic optimization frameworks (MOFs) are useful tools for such tasks, as they provide large sets of general-purpose search mechanisms that can return solutions under different computational budgets. However, existing work largely overlooks the available computation time as an explicit dimension of analysis. In this work, we introduce STILO, a MOF specifically designed for optimization under strict time limits. STILO integrates fine-grained configuration spaces for ant colony optimization (ACO), genetic algorithm (GA), and simulated annealing (SA), combining existing and novel operators. We performed experiments using both synthetic and benchmark instances of various discrete optimization problems. The results indicate that the proposed discrete distance calculation mechanism for SA is useful for optimization under strict time limits. They also show that the relative effectiveness of the proposed problem-independent graph structures for ACO can vary across time limits, even for the same instance characteristics. More generally, the results demonstrate that the effectiveness of algorithm families and operators depends not only on the problem type, but also on the characteristics of the instance and the available computational budget.

Sequential reinforcement learning (RL) solvers and global diffusion model (DM) solvers for neural combinatorial optimization exhibit complementary failure modes under an optimization-regret view. The former enjoys small marginal regret in the early construction stage, but suffers from horizon-wise compounding errors with super-linear regret growth; the latter avoids horizon compounding but incurs linear or sublinear regret w.r.t. the dimension of the remaining unsolved subspace. We propose Hybrid Neural Solver for Combinatorial Optimization (HyCO), a hybrid inference algorithm that constructs a solution prefix with an RL solver and adaptively switches to a conditional DM to complete the remaining decisions. To characterize why such hybridization helps, when to trigger the handover, and how to realize it in practice, we first develop a unified error-scaling theoretical framework and prove that, under explicit error-scaling assumptions, i) the hybrid structure achieves strictly lower expected regret than either backbone alone, and ii) there exists a unique optimal trigger step that minimizes the hybrid regret. We then design a lightweight adaptive trigger that combines policy entropy and RL-DM disagreement to detect trajectory-level signals of the regime shift as a practical proxy, since the optimal trigger step is defined at the expected-regret level and is not directly computable on individual trajectories. Experimental results on diverse benchmarks demonstrate that HyCO achieves consistent improvements over both backbones and support the empirical effectiveness of adaptive triggering.

We study the use of graph neural networks (GNNs) for finding approximate ground states of Ising models. Efficiently finding these ground states is of broad significance because many combinatorial optimization problems can be formulated as an Ising model with the appropriate choice of couplings and fields. Exactly solving these problems is hard but there are many good heuristic methods. A lineage of these heuristics build from mean-field approximations: one approach uses the leading eigenvector of an appropriately defined matrix, another is the min-sum algorithm, also known as the energetic cavity method. Without modification, GNNs perform worse than both of these methods. We consider small modifications to the GNN to incorporate these heuristics and find that this considerably improves performance. While the modified approach is competitive against other deep-learning approaches, we still find that simulated annealing is reliably at least as good as deep learning methods for the same computational cost.

Graph coarsening reduces the large Quadratic Unconstrained Binary Optimization (QUBO) formulations arising when vehicle-routing problems are solved by quantum annealing. Nearby customers with compatible time windows are merged into super-nodes, the reduced problem is solved, and the solution is expanded to the original graph. For the Capacitated Vehicle Routing Problem with Time Windows (CVRPTW), existing coarsening heuristics require family-specific tuning and remain unreliable on random instances. We address these limitations on the Solomon benchmark using simulated annealing and a D-Wave Advantage2 processor. We first introduce adaptive penalty calibration. Uniform penalty scaling has little effect, whereas controlling the internal coefficient range substantially improves raw samples. Removing non-binding constraints, normalising binding ones, and scaling the remaining penalties reduces mean raw constraint violations from 33.0 to 0.06 at the same solver budget (p=3.7e-11, n=56). A variable-count-preserving control attributes this gain to conditioning rather than problem size. Second, we replace the hand-tuned merge score with a graph neural network (GNN) using one configuration across all families. At N=10, it achieves 100% feasibility across all Solomon families, including R-type (100% vs. 80% for the tuned heuristic). Across N=10,...,100, feasibility is 83% vs. 69%, with the GNN better or tied on 85/90 instance-size pairs. At N=80,100, the difference is significant (p=0.002; 25/25 pairs), while the QUBO remains approximately 5-6 times smaller. Finally, hardware experiments reproduce the conditioning effect at fixed logical variable count: feasible samples increase from 0.02% to 39% across 13 instances. Classical repair with local search remains a reference bound for end-to-end solution cost.

Multi-agent combinatorial optimization problems are notoriously challenging due to their NP-hard nature. Recent parallel autoregressive neural solvers improve inference efficiency by allowing agents to make decisions simultaneously, but their performance often degrades on large-scale instances. This is largely attributable to weak modeling of local geometric structures and the fact that conflicting task selections are handled only after action generation. To address these limitations, we propose GeoPAR, a geometry-guided parallel autoregressive reinforcement learning framework for scalable multi-agent combinatorial optimization. GeoPAR integrates three key components: (1) a projection-window sparse geometry mechanism that builds lightweight local candidate neighborhoods through multi-directional projections, (2) sparse edge-biased attention that injects these geometric relations into node representations, and (3) cache-guided conflict-aware assignment that reuses the geometric cache during decoding to suppress duplicate selections of exclusive tasks. Experiments on heterogeneous vehicle routing and open multi-depot pickup-and-delivery problems show that GeoPAR improves large-scale zero-shot generalization while substantially reducing rollout steps and maintaining efficient inference.

This work studies hybrid quantum-classical neural networks for learning routing heuristics. Specifically, this paper asks whether small quantum neural networks can replace parameter-heavy modules inside a competitive attention-based routing model while maintaining solution quality. For the capacitated vehicle routing problem, encoder feed-forward replacement emerges as the most promising design: it reduces the number of model parameters by 56.6% while keeping the hybrid model close to the classical neural baseline at small and medium instance sizes, although the gap grows for larger instances. This work also compares to classical routing algorithms, which remain highly competitive and often superior on the fixed Euclidean test sets. Our results therefore do not indicate quantum advantage or solver dominance, but identify encoder feed-forward replacement as a viable hybrid-module compression strategy for neural combinatorial optimization.

Neural combinatorial optimization (NCO) solvers report the best of many sampled solutions per instance, and the sample count is, by convention, identical for every instance. Whether a non-uniform allocation of a fixed total budget would buy anything has not been measured. We measure it, and we audit the measurement itself. First, on in-distribution workloads the allocation headroom is not detectable. Across three pretrained solvers (POMO, AM, SymNCO) on uniform TSP-100, an oracle allocation computed and evaluated on the same stored samples reports a 2.2-2.6% gain with intervals excluding zero; measured out of sample the same gain is indistinguishable from zero (0.457, 0.015, -0.512 percent). Following the customary in-sample procedure, all three solvers would have supported a published 2%-level gain that does not exist. We calibrate this bias against an instance-wise null in which the true gain is zero by construction; over the ranges we test it does not shrink with more samples or more instances. Second, the same correction that removes the phantom gains preserves a real one. Under distribution shift (a workload mixing uniform and clustered instances), a pre-registered confirmatory experiment finds that allocation guided by held-out sample statistics improves best-of-k by 11.5% (AM, primary endpoint; 95% CI [7.4, 19.7]) and 12.0% (SymNCO, replication) at equal evaluation budget, with the signal-acquisition cost not charged; a pre-registered negative control (POMO, an order of magnitude more robust to shift) shows -0.3% [-0.7, 0.24]. The gain exceeds a frozen distribution-label baseline by 4.2 points [1.9, 7.7]. An exploratory policy charging a 20-sample probe against the same budget retains 3.4% (AM) and 4.6% (SymNCO). We give a correction procedure and a reporting checklist, and release all data, code, and the pre-registration record.

Neural combinatorial optimization (NCO) relies on parallel solution sampling for training, yet existing methods fail to fully exploit the rich information latent in a co-sampled solution group. Preference-optimization methods anchor on the single best solution and discard fine-grained quality and structural signal from all other peers-a failure we term gradient signal polarization. Mean-based baselines instead weight peers uniformly, so structurally near-identical peers flood the baseline with redundant information and keep gradient variance high-a failure we term baseline redundancy. We propose SSPO (Structure-Aware Similarity-Weighted Preference Optimization), which scores all $B$ sampled solutions jointly through a dissimilarity-weighted leave-one-out baseline: structurally distinct peers receive higher weight, resolving both failures in a single mechanism. The baseline uses zero-parameter, problem-adaptive solution embeddings built from the encoder's existing node representations. Experiments on TSP, EFL, and JSP benchmarks show consistent gains over prior best-anchor and uniform-weight baselines. A direct comparison against uniform RLOO on TSP and EFL confirms that structure-aware weighting is the primary driver of improvement. The SSPO-trained EFL policy has been deployed in a production facility-location system at JD$\mathord{.}$com, confirming practical viability at scale.

Reducing the number of focal elements of a mass function is classically driven by an intrinsic distance, such as Jaccard or Jousselme, that keeps the approximation close to the original as a body of evidence. We consider instead the case where the mass function feeds a linear combinatorial optimisation problem with evidential costs. What should then be preserved is not the closeness of the two mass functions, but the quality of the decision they induce. We introduce a decision-aware approximation that targets the regret of the decision: one decides with the cheaper approximation and is evaluated under the true mass function. On a minimal shortest path, the distance-optimal approximation flips the decision while a decision-aware merge preserves it, and this occurs on a non-negligible fraction of random instances. We prove a one-point bound that localises the regret at the true optimum, turn it into an exact dynamic program for the scalar case, and extend it to an online version that prunes focal elements before the final cost is known. In experiments the decision-aware compressor flips the decision less often than representation-aware compression, for both the linear criterion and a non-linear proxy read-out.

The rapid development of Large Language Models (LLMs) has opened new avenues for Automated Heuristic Design (AHD) for solving NP-hard combinatorial optimization problems (COPs). However, existing LLM-driven AHD methods are largely confined to rigid solver templates, relegating the search process to isolated module tuning. Transitioning to fully autonomous, system-level algorithm design is essential but fraught with low reliability of generated operators, extremely large search spaces, and ineffective credit assignment. To overcome these drawbacks, this paper proposes a Directed Graph-Guided Automated Algorithm Design framework, termed DGA$_2$D. It structures the open-ended program space as a directed graph, where each node represents a functional operator that can be instantiated using one of multiple candidate code implementations, while directed walks constitute complete algorithmic pipelines. A first-order path-dependent credit assignment mechanism is introduced to evaluate code variations strictly based on their topological context. Extensive experiments across 12 distinct COPs, ranging from complex scheduling to routing, demonstrate the consistent empirical advantages of DGA$_2$D. It reduces the average normalized gap by up to 10.96 percentage points compared to state-of-the-art LLM baselines.

Automated heuristic design (AHD) with large language models (LLMs) has produced strong heuristics for combinatorial optimization problems (COPs). Yet existing frameworks optimize for average performance on a small fixed dataset and steer the search with "verbal gradients" distilled from scalar better/worse feedback. No single heuristic dominates across instance distributions, and scalar feedback tells the LLM whether a heuristic improved, but not where in the instance space or why. We propose MOSAIC, a grid-based framework that adversarially co-evolves problem instances and specialist heuristics inside a Quality-Diversity (QD) archive indexed by structural instance features. Instances evolve to expose weaknesses of the current heuristics, and heuristics evolve to eliminate them by specializing to the newly exposed regions. Each archive cell keeps a specialist heuristic, representative instances, and insights explaining what works in its region, forming a persistent memory that accumulates over the evolutionary search. For each heuristic pair sampled from distant grid regions, an LLM-guided evolutionary loop generates discriminative instances, and a decision tree identifies the feature-space regions where each heuristic wins. A reflection LLM then contrasts the two heuristics to produce multi-directional insights that persist in those regions and guide crossover and mutation. The archive is simultaneously a co-evolved benchmark of discriminative instances and a pool of region specialist heuristics, from which greedy selection extracts a compact complementary portfolio. Across COPs, test sizes, and LLM backbones, the portfolio consistently outperforms state-of-the-art LLM-based AHD methods, and the co-evolved instances attain higher feature-space coverage and stronger heuristic discrimination than evolutionary instance-generation baselines.

Combinatorial optimization problems (COPs) underpin many real-world decisions, but their exponentially large search spaces make high-quality solutions costly to obtain. Neural combinatorial optimization (NCO) learns fast construction policies, typically with reinforcement learning (RL), while preference-based NCO improves sample efficiency by learning from relative solution quality. However, existing preference objectives combine two distinct design choices in manually specified, one-size-fits-all formulations: what learning signal to extract from each solution pair and how to weight each pair relative to the sampled set. We present AutoPref, the first LLM-guided framework for automated preference-objective discovery in NCO. AutoPref factorizes the objective into a pairwise loss program, which defines the learning signal, and a set-aware weighting program, which determines each pair's relative contribution. Their composition forms a unified programmatic objective space containing existing preference objectives as special cases. To make its search tractable, we introduce a staged conditional search strategy with behavioral gates that filter inadmissible programs before short-horizon training and evaluation. Across TSP, CVRP, FFSP, and JSSP, AutoPref consistently outperforms strong hand-designed baselines across problem scales, demonstrating the benefits and scalability of automated objective discovery for NCO.

Black-box combinatorial optimization requires systematically identifying high-quality solutions under a limited evaluation budget, yet the unknown objective function provides little guidance for deciding where the search should explore next. We introduce SCOPE, a general framework for Synthetic Conditional Objectives for Policy Evolution in Black-Box Combinatorial Optimization. Rather than directly optimizing the inaccessible objective, SCOPE learns a set of synthetic objectives conditioned on the accumulated search history, where each objective is designed to expose a distinct and potentially useful preference over candidate solutions. These objectives are then used to evolve search policies that generate diverse candidates, whose true quality is subsequently assessed through black-box evaluations. The outer loop adaptively updates and selects synthetic objectives according to how effectively their induced policies discover promising regions. In contrast, the inner loop returns a portfolio of top-performing policies to reduce the risk of relying on a single surrogate preference. This formulation reframes objective design as a mechanism for guiding policy exploration, enabling the search process to exploit observed evidence while maintaining structured diversity across discrete solution spaces. Extensive experiments across multiple benchmark problems demonstrate that SCOPE consistently improves black-box search performance under limited evaluation budgets and generalizes well across diverse combinatorial structures.

Humans often find good solutions to combinatorial optimization problems that are computationally hard even for advanced computer algorithms. In the Euclidean traveling salesman problems (TSP), people rapidly produce tours that are near-optimal, despite severe limits on time and computation. What makes a tour human-like, and how might such solutions be learned? Here we address these questions through a large-scale behavioral and computational investigation of human performance in Euclidean TSP. We sampled a broad space of TSP instances, collected human solutions, and compared them with neural policies based on Pointer Networks, which are recurrent neural networks with an attention-based pointing mechanism that define probability distributions over valid tours. We trained these networks under multiple objectives, including reinforcement learning (RL), supervised learning from optimal tours, supervised learning from human tours, and RL fine-tuning after optimal-supervised pretraining. Human tours were not identical to optimal tours, but occupied a near-optimal geometric basin: they shared many structural properties with optimal solutions while preserving systematic human-specific deviations. The best account of human tours was not direct imitation of optimal tours, but a model pretrained on optimal tours, fine-tuned by RL, and decoded through $\text{Best-of-}N$ sampling. These findings suggest that human-like solutions may emerge from a combination of structured supervised learning, RL, and test-time search, echoing computational principles underlying many modern artificial intelligence systems.

The optimal allocation of academic resources to individual students is essential for addressing learner diversity and fostering equitable educational outcomes. Within the framework of the Erasmus+ KA220-SCH project, this paper models the selection of educational materials for high school mathematics students as a 0--1 binary combinatorial optimization problem subject to strict study time constraints. Given the NP-hard complexity of the formulation, exact solution methods become computationally intractable as resource catalogs scale. To address this challenge, we propose a Genetic Algorithm integrated with a specialized constraint repair mechanism to effectively search the binary decision space. Experimental evaluation across 10 independent runs demonstrates fast convergence, high solution quality, and strong algorithmic stability across different base seeds. These results confirm the practical utility of metaheuristic approaches for real-time decision-support systems in secondary education.

Reusing previously computed results is a long-standing principle for reducing computational cost, but such reuse has largely been confined to a single problem's computation. Sharing computational processes across multiple simultaneously solved problems remains possible in principle, yet designing algorithms that exploit nontrivial cross-task relationships is difficult to do manually. Here, we use machine learning to discover such algorithms automatically. Specifically, based on reservoir computing, we propose a method that uses computation results recorded by dynamic programming for combinatorial optimization problems as features for linear regression, leveraging them to assist other combinatorial optimization computations. We validate the approach on the traveling salesman and subset sum problems. Multiplexing the dynamic programming process improves approximation accuracy over generic features and reduces computation time compared with independent solutions. These results suggest a new form of computation, distinct from conventional computational design, in which multiple processes efficiently share and recycle intermediate results and states.

While combinatorial optimization problems are central to many scientific and engineering applications, their solution remains challenging due to exponentially large search spaces. Variational quantum algorithms offer a promising route for tackling such problems, yet their practical performance is limited by repeated quantum circuit evaluations and classical parameter updates. In this work, we introduce DQAOA-GPT, a hybrid framework that integrates the distributed quantum approximate optimization algorithm (DQAOA), which decomposes a large optimization problem into smaller sub-problems, with GPT-based quantum circuit generation for solving those sub-problems. Rather than relying on iterative variational optimization, the proposed approach uses a trained generative model to directly generate high-quality quantum circuits for the decomposed sub-problems. As a benchmark, we evaluate DQAOA-GPT against conventional DQAOA on dense HUBO optimization problems with up to 100 decision variables. The results demonstrate that DQAOA-GPT significantly reduces computational cost while maintaining competitive solution quality, with larger acceleration observed for larger sub-problem sizes. Although this work focuses on benchmark-scale validation, the framework provides a promising foundation for larger-scale combinatorial optimization in hybrid HPC-QC environments through increased GPU resources and parallel computing capability.

This paper introduces a self-supervised pretraining framework for graph combinatorial optimization specifically designed to address the nature of routing problems like the Traveling Salesman Problem. By utilizing graph contrastive learning with geometric augmentations (specifically, rotations and axial reflections) the model is forced to learn invariant structural representations and global relative distance distributions. Results demonstrate that this pretraining strategy outperforms non-pretrained models across various problem scales. Notably, the hybrid strategy (combining rotation and reflection) achieved a 6.57% improvement in tour length for TSP1000, proving that geometric pretraining is an important inductive bias for effectively scaling neural solvers to high-dimensional instances.

We study the contextual combinatorial semi-bandit (CCSB) problem with general reward function approximation. At each round, the learner observes a context, selects a combinatorial action consisting of a subset of basic arms, and receives the reward of each selected arm; the goal is to maximize the cumulative reward over time. We propose SquareCB.Comb, a computationally efficient algorithm that, at each round, solves a convex optimization problem to sample a combinatorial action that balances exploration and exploitation. SquareCB.Comb scales to large arm sets and imposes no structural assumptions on the action set beyond a cardinality bound of $m$ on each combinatorial action. We prove that SquareCB.Comb achieves a minimax optimal regret bound of $O(\sqrt{m A T \log |\mathcal{F}|})$, where $A$ is the number of arms, $m$ is the maximum number of arms in a combinatorial action, $T$ is the time horizon, and $\mathcal{F}$ is the reward function class. In the realizable setting, this bound matches the state-of-the-art regret guarantees achieved by policy search-based algorithms in the more restricted slate recommendation settings, while simultaneously generalizing to arbitrary combinatorial action structures and general reward function approximation.

In multi-objective combinatorial optimization, unsupported non-dominated points typically outnumber supported points and are often significantly more challenging to compute. Recent studies show that extreme supported non-dominated points provide high-quality representations of the non-dominated set for certain binary problems. We demonstrate that this observation does not generalize to capacitated network optimization problems: representation quality decreases with increasing arc capacities, whereas supported non-dominated points consistently provide high-quality representations with respect to several quality indicators. However, supported point sets may still be too large in practical applications, where only a small, fixed number of alternatives is typically desired. Selecting fixed-size representations from the non-dominated set requires its computationally expensive generation and thus diminishes the computational advantages that representations are intended to provide. We therefore suggest the (extreme) supported points as alternative candidate sets in subset selection problems. Our numerical results show that restricting the candidate set to supported non-dominated points yields fixed-size representations of nearly the same quality as those selected from the complete non-dominated set. Overall, supported non-dominated points serve both as high-quality representations and as reasonable candidate sets for subset selection.

Automatic Heuristic Design (AHD) has emerged as a transformative approach for solving combinatorial optimization problems. While recent Large Language Model (LLM)-based methods have shown promise, they predominantly rely on fixed evolutionary operators and struggle to effectively accumulate and reuse historical search experience. This paper proposes RefineEvo, a novel evolutionary framework that transforms AHD from a static trial-and-error process into a planning-guided, experience-driven system. RefineEvo introduces a Planner to dynamically schedule evolutionary operators and trigger refinement based on the current search state, and a Reflector to distill valuable lessons into a Bidirectional Experience Pool containing both positive insights and negative pitfalls. This synergistic framework enables the system to adapt its search tools to the evolving complexity of the problem and leverage trajectory-aware, situation-conditioned insights to guide generation. Experiments on several classic combinatorial optimization benchmarks demonstrate that RefineEvo consistently outperforms strong baselines. In particular, RefineEvo delivers superior solution quality while improving token efficiency, enabling more efficient and autonomous heuristic design.

Modern machine learning (ML) increasingly relies on complex models whose behavior is difficult to characterize beyond empirical performance metrics. Across a wide range of tasks, including prediction, generation, and decision-making, models with similar empirical performance can exhibit markedly different properties in terms of their transparency, interpretability, robustness, fairness, privacy, and certifiability. This survey highlights how optimization- and certification-oriented reasoning can provide a useful framework for reasoning about such differences, supporting tasks ranging from model training and selection to auditing and certification. We review and synthesize recent advances at the intersection of combinatorial optimization (CO) and trustworthy ML, covering both training and post-training tasks, including interpretable model learning, explanation generation, robustness analysis, fairness auditing, model compression, and privacy attacks and protections. Across these domains, CO formulations offer additional capabilities over purely heuristic approaches, e.g., gradient-based ones, notably global guarantees, formal certificates, and explicit treatment of trade-offs. While scalability remains an important challenge, continued progress in solvers and hybrid algorithms suggests a growing role for CO in the design and deployment of trustworthy ML systems.

Workforce scheduling is an NP-hard combinatorial optimization problem requiring simultaneous satisfaction of labor regulations, coverage requirements, employee preferences and operational objectives. Existing CP formulations typically model simplified instances with 6-12 constraints at shift-level granularity and critically lack explicit support for: mandatory break scheduling with midpoint placement control; acuity weighted workload equity; sub-shift temporal granularity enabling demand-driven staffing; inter-week schedule stability; and cross-midnight shift patterns common in 24-hour operations. This paper presents CP-WSP: a declarative CP-SAT framework enforcing 14 hard constraints as mathematically inviolable requirements (zero regulatory violations by construction) while optimizing 15 soft objectives through a unified weighted penalty function -- all configurable via a JSON specification with no code changes required. Key contributions include: a shift-window variable decomposition enabling mandatory break scheduling with centrality control; acuity-weighted workload equity; multi-granularity temporal resolution from 30 minutes to 2 hours; inter-week schedule stability; a grid-offset preprocessing technique for cross-midnight shifts; and a reproducible 36-configuration benchmark suite for community comparison. Evaluated on INRC-II benchmarks at both hourly and shift-level granularity and on 36 synthetic configurations.

Multiplex CRISPR-Cas9 gene editing requires selecting one guide RNA per target gene subject to cross-gene interactions: a constrained combinatorial problem that can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) and solved via the Quantum Approximate Optimization Algorithm (QAOA). The one-hot per-gene constraint is conventionally enforced by adding quadratic penalty terms to the cost Hamiltonian, but penalty coefficient selection is heuristic and penalties amplify hardware noise. An alternative is to enforce the constraint structurally via the XY-mixer, which preserves feasibility by construction. We present COMET, a systematic comparison of penalty-based and XY-mixer QAOA on a three-gene, twelve-qubit multiplex editing instance targeting the immune-checkpoint genes PDCD1, LAG3, and HAVCR2. In simulation, the XY-mixer exceeds 95% probability of the optimum by QAOA depth p=3, while three penalty variants spanning an order of magnitude in penalty coefficient remain below 6% at every depth. On IBM's ibm_kingston (Heron r2) processor, the XY-mixer's simulator-hardware energy gap stays within |0.8| across all depths, while the worst-tuned penalty variant's gap reaches +53.9. We provide an honest account of where the structural guarantee partially breaks under gate-level noise. The twelve-qubit instance is classically trivial; our contribution is a methodological comparison of constraint-enforcement strategies in a biologically motivated domain, with real-hardware validation.

Combinatorial optimization (CO) problems are difficult because certifiable discrete structure induces exponential search. One needs to search over the set exponentially many candidates to certify optimality, however, the structural feasibility of a path, packing, or cover can be verified in polynomial time once supplied. In this study, we introduce Neural Certificate Pricing (NCP) that exploits this asymmetry under an unsupervised learning framework. A neural network is trained to predict certificate-level dual prices, while a structured recovery layer constructs the induced primal marginal. NCP can be viewed as amortized separation: instead of enumerating violated inequalities, it learns the residual prices through which their aggregate effect enters recovery. When the certificate-consistency condition holds, the recovered marginal is globally feasible, and a local theory shows that first-order errors in the predicted price induce only second-order loss in objective value. Across three classes of CO problems, NCP either outperforms state-of-the-art neural baselines by large margins or matches them at a fraction of the computation time, and shows stronger out-of-distribution generalization.

Traditional meta-heuristics often rely on fixed population sizes, manually chosen search scales, and externally attached parameter-control modules. This paper presents the \textit{Metabolic Multi-Agent Optimizer} (MMAO), a cross-domain optimization framework in which adaptation is derived endogenously from a private-public metabolic resource loop. Each agent carries internal energy, a continuous role state, motion or structural memory, and local search history, while the population shares a communal resource pool. Fitness improvements are converted into normalized metabolic gains through a robust progress scale and a recent success statistic; the same closed loop then regulates sensing intensity, search amplitude, role drift, branching, pruning, respawning, and elite reinvestment. In the continuous setting, MMAO uses energy-regulated symmetric zero-order probing and role-interpolated motion. In the discrete setting, the same control law is instantiated through structural sensing, local route improvement, guided perturbation, and energy-weighted edge reuse. The paper combines an implementation-faithful formulation with a reproducible experimental study on a CEC2017 subset (10D/30D, 20 seeds) and five TSPLIB instances (100 discrete runs in total). The current evidence supports MMAO primarily as a parameter-light, self-calibrating optimization framework whose main validated originality lies in metabolically endogenous resource allocation across heterogeneous search behaviors, rather than as a universally superior optimizer.

Scientific discovery is fundamentally an optimization problem, defined by a vast "state space" of theories and experiments, and an evaluation criterion based on quality, novelty, and validity. Large language models (LLMs) have enabled automated exploration of this space, but we argue that simultaneous modification of the evaluation criteria is equally important. Here, we propose formalizing research as meta-optimization, where the optimization objective itself is also being optimized. Our key contribution is "consensus objective aggregation," where LLM-generated objective functions are combined via correlation-weighted voting, yielding a stable, self-correcting evaluation criterion that evolves as understanding deepens. We apply this framework to algorithm discovery for 3-SAT problems based on digital MemComputing machines, reducing the baseline scaling with problem size $N$ from $\sim N^{2.51}$ to $\sim N^{1.33}$ and delivering a $\sim 67\times$ speedup on the largest instances tested. As a problem-agnostic framework, we hope this approach will considerably aid scientific discovery.

Solving large-scale instances of the Traveling Salesman Problem (TSP) exactly is computationally expensive. Researchers often employ graph sparsification methods to improve computational efficiency. Traditional sparsification methods typically rely on fixed heuristics and fail to fully exploit instance-specific structural information. In this paper, we propose Graph Edge Sparsification (GES), a learning-based sparsification approach for Euclidean TSP. By incorporating geometric structural information and combinatorial optimization technology, our proposed method adaptively generates a sparsification graph for different instances, significantly reducing the graph size and accelerating the solving process. Experimental results demonstrate that our sparsification method can prune up to 95% of edges on the MATILDA dataset, while keeping the solution gap within 1% of the optimal value. Moreover, our approach exhibits strong generalization capability on the TSPLIB benchmark.In some large-scale instances, the pruning rate exceeds 99%, while the optimality gap remains below 1%.

Spacecraft operations scheduling is a highly constrained, long-horizon combinatorial optimization problem that traditionally relies on heuristics, constraint programming, or manual planning. We present a scalable deep reinforcement learning framework developed and deployed for NASA's Carruthers Geocorona Observatory mission. Our framework introduces a macro-action abstraction known as activity blocks coupled with dynamic action-masking to navigate the intractably large search space and strictly enforce complex power, thermal, and instrument constraints. The resulting architecture generates globally feasible schedules with overwhelming probability, establishes operational trust, and executes a full training cycle in under six hours, circumventing the need for policy robustness by enabling rapid, on-demand retraining. Further, resulting schedules outperform baseline heuristics in scheduled science quality. The deep reinforcement learning framework was deployed as the default operational scheduler for the Carruthers Geocorona Observatory mission from the outset of the mission, demonstrating that deep reinforcement learning can be trusted for real spacecraft operations under complex, evolving constraints.

Neural combinatorial optimization (NCO) has shown that policies trained by reinforcement can construct strong solutions to NP-hard problems directly from raw instances. What such a policy actually learns, as opposed to what its decoder expresses, remains much less clear. We study this distinction on the vertex-guard Art Gallery Problem, the NP-hard task of choosing polygon vertices from which to observe an entire region. A pointer-network policy is trained from a coverage-aware reward over its own rollouts under the constraint we call geo-free inference: at test time it sees only vertex coordinates, with no visibility computation and no geometric oracle. The policy places guards economically but leaves a tail of under-covered polygons that widens far beyond the training range. To locate the cause, we freeze the trained encoder and read its embeddings with a small single-shot classifier, still geo-free at inference. The classifier closes most of the feasibility gap, in and out of distribution and at up to roughly five times the training range, cutting under-covered polygons by about an order of magnitude at an explicitly reported cost in guard count. We read this as evidence that the reinforcement-trained representation already encodes the geometry required for feasibility, and that residual failures reflect decoder calibration rather than missing knowledge. Probing a frozen encoder thus offers a practical way to ask what a neural combinatorial solver has internalized.

This work presents a tool for the synthesis and simulation of probabilistic architectures for solving combinatorial optimization problems by mapping them to the Ising model. The proposed approach automatically constructs the Ising Hamiltonian and determines the number of probabilistic elements (p-bits) based on problem characteristics such as size and topology. Furthermore, the tool introduces an adaptive strategy for selecting the most suitable update algorithm among Gibbs Sampling, Simulated Annealing (SA), Simulated Quantum Annealing (SQA), and cluster-based methods. Experimental results using benchmark problems demonstrate improved convergence behavior and flexibility compared to fixed approaches. The proposed framework enables systematic evaluation of probabilistic computing strategies and supports the development of future hardware implementations based on MTJs and p-bits.

The Traveling Salesman Problem (TSP) is a cornerstone of combinatorial optimization and arises in many practical scenarios. Although graph-based learning approaches have been explored for TSP, the question of how to exploit graph structure more effectively remains open. We present the Anisotropic Graph Diffusion Network (AGDN), a new Graph Neural Network framework designed to solve TSP. Our method tackles two central difficulties: (1) the lack of informative topological prior in fully connected TSP graphs, and (2) losing connected nodes in the optimal solution after the commonly used graph sparsification techniques. To overcome these issues, we construct a MixScore transition matrix that merges node similarity with pairwise distance, and we develop an anisotropic graph diffusion strategy that supports efficient information exchange across multiple hops. Comprehensive experiments spanning diverse instance sizes and node distributions show that AGDN consistently outperforms existing methods while keeping computation time competitive. Furthermore, AGDN generalizes well to problem sizes and distributions beyond those seen during training. The implementation is publicly available at: https://github.com/LabRAI/AGDN.

Neural combinatorial optimization (NCO) offers a promising alternative to traditional heuristic-based methods for solving complex graph optimization problems by proposing to learn heuristics through data. This class of problems frequently arises in automation, as it can be used to model a variety of applications. While NCO has been extensively studied for deterministic combinatorial optimization problems, there are only a few works that aim to solve stochastic combinatorial optimization problems. In this work, we present N(CO)$^2$: Neural Combinatorial Optimization with Chance cOnstraints to solve the Stochastic Orienteering Problem (SOP) without the use of hand-crafted heuristics. By integrating a reinforcement learning (RL) framework, the model optimizes path selection under uncertainty, effectively balancing exploration and exploitation. Empirical results demonstrate that our method generalizes well across diverse SOP instances, achieving competitive performance compared to the state-of-the-art mixed-integer linear program (MILP) for the task. The proposed approach reduces human effort in heuristic design while enabling adaptive and efficient decision-making in uncertain environments.

Evolutionary algorithms have been used for a wide range of multi-objective combinatorial optimization problems. Despite practical success, theoretical results on the runtime of evolutionary algorithms for multi-objective combinatorial problems are rather limited. One classical problem that has been investigated is the multi-objective minimum spanning tree problem for which runtime bounds have been obtained to compute all extremal corner points of the Pareto front. With this paper, we provide some more detailed insights into the structure of the Pareto front when the edge weights take on a small number of distinct values. Based on these insights, we derive new runtime results for evolutionary multi-objective algorithms and complement our theoretical results with experimental investigations.

Macro placement is a fundamental step in modern chip physical design, playing a crucial role in determining the solution quality of high-dimensional combinatorial optimization problems. Despite recent advancements in machine learning for spatial coordinate determination, the temporal dimension of placement sequencing remains largely governed by static heuristics. In this work, we demonstrate that the placement sequence is not merely a preprocessing step but a decisive factor in optimization, where suboptimal early decisions trigger irreversible domino effects that constrain the solution space. To harness this unexplored dimension, we propose \textbf{OrderPlace}, a proxy-guided LLM evolution framework for automatically discovering macro placement order strategies. Instead of relying on manually crafted heuristics such as area- or connectivity-based ordering, OrderPlace explores a broader space of code-level policies, ranging from static scoring metrics to dynamic physics-inspired mechanisms. To mitigate the prohibitive cost of evaluating sequences, we introduce a lightweight proxy evaluation mechanism that efficiently filters candidates using a deterministic greedy probe. Experimental results on the standard ISPD 2005 benchmarks demonstrate that OrderPlace discovers novel ordering strategies. Compared with WireMask-EA and the state-of-the-art method EGPlace, OrderPlace reduces wirelength by 34.04% and 14.08%, respectively.

Gray-box optimization is an approach for making some problem-specific information available to the algorithm while still relying on fitness information as the main guide to an optimum. This approach was shown to be beneficial in various combinatorial optimization tasks and neatly captures the continuum between fully black-box algorithms and tailored algorithms. In this work, we discuss different flavors of gray-box algorithms. We show that RLS can find a proper $2$-coloring in a bipartite graph starting from a random $2$-coloring, in an expected time of $\mathcal{O}(n \log n)$. In contrast, when starting from a proper $n$-coloring, the (1+1) EA cannot find such a coloring except when offered additional guiding on plateaus of the search space. Finally, we show the run time for this setting can be much improved by using gray-box operators.

The heterogeneity of client data and systems makes it difficult to achieve satisfactory convergence speed and robustness in federated learning with random client selection. To address this issue, this paper proposes a surrogate-assisted client evolutionary selection framework for federated learning. In this framework, some typical client selection strategies are first used to generate candidate sets, and a metric function that integrates model performance, communication latency, and energy consumption is developed to formulate the client selection problem as a combinatorial optimization one. Subsequently, a surrogate model is constructed using the candidate selections and metric to efficiently approximate the performance of selected client subsets. An evolutionary algorithm is employed to search the combinatorial space of client selections, guided by the surrogate model to accelerate convergence. Experiments on MNIST, CIFAR10, CINIC10, and TinyImageNet demonstrate that the proposed algorithm achieves faster convergence, lower energy consumption, and improved robustness compared to existing methods.

Large language models (LLMs) increasingly translate natural-language optimization problems into executable solver code. Yet for constraint-dense operations research (OR) problems, existing data-filtering and training pipelines largely rely on objective-equivalence signals such as differential testing and answer agreement, which a program can pass while adding spurious constraints or silently omitting required ones, whenever those constraints are non-binding on the tested instance. We propose constraint injection, which uses feasible probes to expose spurious over-constraint and one-constraint-violating probes to reveal silent constraint omission. Combined with differential testing, it forms a dual verifier. We instantiate and evaluate it on vehicle routing problems (VRPs), a representative constraint-dense combinatorial optimization testbed with coupled operational constraints. We develop VRPCoder, an 8B end-to-end model that translates natural-language VRP scenarios into Gurobi scripts, together with an expert-verified VRP benchmark suite covering 21 variants. The verifier is reused as a rejection-sampling filter during data synthesis and as a per-rollout reward in group relative policy optimization (GRPO). Across four VRP benchmarks, VRPCoder-GRPO reaches 93% average Pass@1, outperforms Gemini-3.1-Pro Preview on three benchmarks, exceeds Claude-Sonnet-4.5 by 28 average points, and surpasses prior OR-LLMs by 78 average points.

Mixed-combinatorial nonlinear programming (MCNLP) problems arise in many engineering design and planning applications, e.g., due to categorical, component, and geometric design choices, as well as joint task and motion planning. Traditional representations of combinatorial spaces, such as integer or binary encoding, often introduce spurious relations, increase dimensionality, and require additional compatibility constraints. Instead, this paper draws on recent developments in robot planning and vehicle/network routing domains that aim to learn search heuristics over combinatorial spaces using graph neural networks (GNNs). More specifically, this paper presents a first-of-its-kind structured abstraction of the combinatorial space by learning a mapping from an undirected fully connected graph of combinations to a directed graph indicating improvement directions using an Edge Field Graph Network (EFGN). To demonstrate the utility of this new way of abstracting the combinatorial space in solving MCNLPs, we adopt a recent optimization framework that purely searches over the non-combinatorial (e.g., continuous) variables and retrieves the best-suited combination for each candidate design by using the abstraction model, akin to a recommender system. The presented direction-aware abstraction model provides a potentially more scalable and interpretable retrieval of combinations compared to the original recommendation system in that framework. For evaluation, the proposed method is integrated with a well-known particle swarm optimization and genetic algorithm solvers on three benchmark nonlinear problems with varying numbers of combinations and variables. Compared to baseline solvers using indexified combinations, the GNN-based recommender consistently achieves better mean optimum values and robustness across multiple runs.

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing methods typically generate and evolve heuristics as a single operator or search strategy, limiting their ability to model strong coupling among multiple decision substructures in problems such as the Traveling Thief Problem (TTP) and the Traveling Purchaser Problem (TPP). In this work, we propose CoEvo-AHD, an LLM-driven dual-population co-evolutionary framework for automated heuristic design in coupled combinatorial optimization. Unlike prior methods that evolve individual heuristics in isolation, CoEvo-AHD leverages LLMs to co-evolve two closely related operator populations. A cooperative evaluation mechanism explicitly captures interactions between route and selection operators, while pairwise scoring and synergistic joint crossover help discover complementary operator logic for joint improvement across coupled decision subspaces. We further design a tool-invocation environment library that encapsulates frequently used core operations, such as local-search delta computation, into callable functions, enabling LLM-generated operators to use standardized interfaces instead of reimplementing inefficient and error-prone problem-specific loops. Experiments on TTP and TPP show that CoEvo-AHD automatically discovers cooperative heuristic combinations and achieves competitive solution quality against traditional heuristics.

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.

Active tether-net systems are a promising solution for capturing large non-cooperative targets, such as space debris, by deploying a flexible net manipulated by maneuverable units (MUs). However, concurrent systematic explorations of design and control choices of the tether-net system to understand its full potential remain limited, partly due to the complex, constrained, nonlinear optimization problem that it presents -- one that involves a mixture of continuous, integer and categorical variables, with the latter two arising from net connectivity and component choices, respectively. Classical binary encoding methods are often ineffective for solving highly nonlinear and multimodal Mixed Combinatorial Nonlinear Programmings (MCNLPs) in engineering design, while integer coding approaches can introduce spurious relations among combinations. Given the graph-structured characteristics of the combinatorial space, this paper adopts and extends a new graph-learning-aided optimization approach to solve this MCNLP problem. Here, a Graph Neural Network (GNN) is trained to score (as output) and thereof recommend candidate combinations represented as nodes in a graph, with the continuous variable vector portion of a candidate design given as input. As a result, the MCNLP optimization reduces to an NLP, which can be solved using standard solvers. While this reduction approach is agnostic to the choice of the NLP solver, here a state-of-the-art Particle Swarm Optimization (PSO) algorithm with gradient-based fine-tuning is used as the solver. Demonstrated on the problem of concurrently designing the morphology of the net, choice of mass and thrusters in the MUs and aiming points used by the controller of the tether-net system, the GNN-based recommender is shown to provide significantly faster convergence to similar optimal solutions, compared to direct solution of the MCNLP problem.

Combinatorial counting problems pervade artificial intelligence, statistics, and discrete mathematics. Whether the task is enumerating subsets, multisets, permutations, partitions, or compositions under structural and arithmetic constraints, solving it remains a stubbornly manual exercise. Closed-form derivations are powerful but brittle, while naive encodings to propositional model counting or constraint satisfaction destroy the exchangeability that makes counting tractable in the first place. We present Cofola (COmbinatorial counting LAnguage with First-Order logic), a typed declarative language whose primitives are the combinatorial objects that recur in everyday counting questions, including sets, bags, tuples, sequences, circles, partitions, and compositions, together with natural relational and arithmetic constraints over them. A denotational semantics maps every Cofola program to a well-defined combinatorial counting problem, and a three-phase compilation pipeline (preprocessing, decomposition, and symmetry-preserving encoding) reduces this problem to a weighted first-order model counting (WFOMC) instance augmented with coefficient-extraction constraints. To stay inside known domain-liftable fragments whenever possible, the encoding groups indistinguishable entities, breaks the symmetry of unordered groupings lexicographically, and encodes sequences and circles via order axioms. On a suite of representative combinatorial counting problems, ranging from textbook math problems to multi-object scenarios that the closest prior framework cannot express, Cofola produces concise specifications and a uniform solving pipeline that is practical end-to-end.

We introduce a physics-inspired continuous relaxation framework that yields substantially improved solutions for NP-hard combinatorial optimization problems, including Quadratic Unconstrained Binary Optimization (QUBO), binary sparse coding, and planted-solution Ising models. By parameterizing discrete binary variables as continuous wave-like states on the complex unit circle, we inherently smooth highly non-convex energy landscapes. We show that representing binary variables as complex phases reveals an implicit regularization mechanism that promotes convergence toward discrete states. Extracting this mechanism yields significant improvements even within standard real-valued optimization frameworks, using this regularizer explicitly. Empirically, this regularization yields vastly higher ground-state convergence rates than standard real-valued alternatives. Our models achieved zero error in large-scale 160x160 QUBO tasks under severe noise (sigma=0.25), and outperformed traditional algorithms (OMP and LASSO) in underdefined sparse coding with perfect recovery at sigma=0.15. The solver's robustness was further validated by recovering exact ground-state configurations in 8 out of 11 rigorously engineered planted-solution benchmarks.

Dynamic Programming (DP) and Constraint Programming (CP) are well-established paradigms for solving combinatorial optimization problems. Usually, these two approaches are used separately. This paper aims to show that the two can be combined effectively and elegantly, with DP serving as the primary search framework and CP used as a subroutine to leverage global constraint propagation. This paper presents such an approach for the Partial Shop Scheduling Problem (PSSP), for which a pure DP method has previously been proposed, and efficient CP filtering algorithms are available. The PSSP is a general scheduling problem where each job consists of a set of operations with arbitrary precedence constraints. The approach is flexible enough to accommodate anytime DP strategies, such as anytime column search, whereas the original DP algorithm operated in a strictly layer-wise manner. Moreover, the flexibility of the CP modeling makes it straightforward to incorporate arbitrary precedence constraints. As a result, the model naturally handles any precedence graph and even enables the design of a Large Neighborhood Search (LNS) scheme, in which the DP model is reused, and partial-order schedules are imposed across restarts to improve the incumbent solution. While not competitive with state-of-the-art pure CP solvers for this specific problem, our primary contribution is demonstrating the viability of this hybrid integration.

Existing neural solvers for Multi-Objective Combinatorial Optimization Problems (MOCOPs) commonly adopt decomposition-based strategies that scalarize an MOCOP into multiple subproblems associated with distinct weight vectors. However, they either inject weights only once during decoding, limiting weight-conditioned context modeling, or primarily during encoding, causing weight-signal dilution during decoding. Moreover, preference optimization methods rely on purely random sampling to construct solution pairs for training solvers, which often produces less informative pairs and thus leads to low training effectiveness. To better address these limitations, we propose an efficient Weight-Conditioned neural solver (WeCon). Specifically, we design an encoder layer with three attention blocks and our proposed Gated Residual Fusion (GRF) block to facilitate harmonious interaction between instance features and weights, thereby generating informative weight-conditioned context. We further introduce a plug-and-play Residual Fusion (RF) block in the decoder to alleviate weight-signal dilution. Finally, we propose Efficient Preference Optimization (EPO), which constructs high-quality solutions, thereby generating more informative pairs to improve training effectiveness. Experiments on four MOCOP variants across different problem scales and distribution patterns demonstrate that WeCon achieves HyperVolume (HV) values comparable to SOTA solver POCCO-W, while reducing inference time by 40%. Ablation studies validate the contributions of all designs.

Distillation transfers knowledge from a large model trained on broad data to a smaller, more efficient model suitable for deployment. In structured prediction settings, prior knowledge about the task can guide the choice of a target architecture that is algorithmically aligned with the underlying problem. Building on recent learning-theoretic analyses of decision-tree (DT) distillation (Boix-Adsera, 2024), we study when distillation succeeds for combinatorial optimization tasks. We focus on the case where the target model is a graph neural network whose architecture is aligned with a dynamic programming (DP) algorithm for the task. Assuming that the source model is sufficiently rich, formalized through the linear representation hypothesis (LRH) (Elhage et al., 2022; Park et al., 2024), we show that the distillation problem can be solved efficiently in the complexity parameters of the DP transition function, represented as a DT. Our results provide a rigorous sufficient condition for successful distillation in the flavour of algorithmic alignment.

Graph combinatorial optimization (GCO) has attracted growing interest, as many NP-hard problems naturally admit graph formulations, yet their combinatorial explosion renders exact methods computationally intractable. Recent advances in Reinforcement Learning (RL) combined with Graph Neural Networks (GNNs) have significantly improved learning-based GCO solvers. However, existing approaches face limitations in both generalization across diverse graph instances and computational scalability as action spaces grow. To address both challenges, we introduce projection agents, a novel RL-GCO approach that operates directly in a continuous GNN-based action embedding space, predicting a desired latent action in a single forward pass and subsequently decoding it into a valid discrete action. Additionally, we enable fair comparison across RL methods through a shared embedding space for both observations and actions. Across diverse benchmarks, our approach achieves up to 16.2x faster inference and up to 40% better generalization than existing solutions using only simple nearest-neighbor decoding, while opening the door to strong RL performance in super-linear decision spaces with multiple interdependent variables. Finally, we release LaGCO-RL, a Python library that automates latent action-space construction and supports existing RL-GCO solutions, promoting reproducibility and adaptation to new GCO benchmarks.

Applying local search algorithms to combinatorial optimization problems is not an easy feat. Typically, human intervention is required to compile the constraints to input data for some metaheuristic algorithm. In this paper, we establish a link between symmetry properties of constraint optimization problems and local search neighborhoods, and we use this link to automatically generate neighborhoods from a constraint specification in the context of the IDP system. We evaluate the obtained neighborhoods for six classical optimization problems. The resulting observations support the viability of this technique.

Existing neural combinatorial optimization solvers frame solution search as imitation of optimal decisions, inherently limiting their utility to single-objective minimization and static constraints. We propose GOAL, a conditioned diffusion solver over relational graph representations that enables controllable decision generations by conditioning on human-specified objectives. We introduce a heterogeneous graph encoding in which distinct edge types, corresponding to different classes of constraints, define the message passing structure of the graph neural network, which allows information to propagate selectively according to the ontology of each constraint. GOAL is instantiated and evaluated on three canonical scheduling benchmarks of various constraint complexity: the Flow Shop Problem (FSP), the Job Shop Scheduling Problem (JSP), and the Flexible Job Shop Scheduling Problem (FJSP). Generalization is demonstrated across structurally distinct constraint regimes and problem types without architectural modification. On all three benchmarks, GOAL achieves 100% solution feasibility and near-zero MAPE (below 0.20%) on multiple objectives for problem sizes up to 20 jobs and 60 operations, outperforming NSGA-II and MOEA/D in both solution quality and inference speed by up to 25x.

Combinatorial optimization (CO) underlies decision-making from logistics to chip design, where infeasible solutions are operationally unusable and small quality gains translate into substantial economic value. Recent work uses large language models (LLMs) to automate solver synthesis: generating executable solver programs from natural-language specifications. However, existing tree-search and evolutionary agents refine candidate trajectories in parallel without explicit knowledge transfer, reintroducing the same constraint violations and converging on similar algorithm families. We introduce MEMOIR, a memory-guided tree-search framework with a two-level memory hierarchy: branch-local memory preserves execution-grounded refinement details within a branch as it iterates on a single algorithmic design, while global memory stores compressed algorithmic and failure-mode summaries across branches. A reflection step at branch termination distills these summaries, enabling cross-branch transfer without polluting future contexts with low-level debugging traces. Across seven CO problems spanning scheduling, routing, packing, and geometric design, MEMOIR achieves 96.7% solution validity (a 9.2 point gap over the strongest baseline) and improves the average normalized score by 7.3 points at matched per-method execution budget. Over three independent runs on four problems, MEMOIR's run-to-run validity standard deviation is more than an order of magnitude below that of every baseline we evaluated in this setting, suggesting that memory-guided exploration yields consistent improvements rather than reflecting sampling variance.

A common critique of neural combinatorial-optimization solvers is that they are less energy-efficient than CPU metaheuristics, given the operational energy cost of training them on GPUs. This paper examines the inferential step from "training is expensive" to "neural solvers are net-inefficient", which is where the critique actually goes wrong. Training the network costs a large fixed amount of GPU energy; running the metaheuristic costs a small amount of CPU energy on every instance, repeated as long as the solver is deployed. The two are not commensurable until a deployment volume is fixed. We define the Amortized Efficiency Threshold (AET) as the deployment volume above which a neural solver breaks even with a heuristic baseline in total energy or carbon, under an explicit constraint on solution quality. We show that the cumulative-energy ratio between the two solvers tends to a constant strictly below one whenever the network wins per instance, and that this limit does not depend on how the training cost was measured. An embodied-carbon term amortizes hardware fabrication symmetrically on both sides. We instantiate the framework on the CVRP environment at n=50 customers with the attention-based autoregressive solver of Kool et al. (2019), trained for 100 epochs on 20,000 instances over five random seeds, and HGS via PyVRP as the heuristic baseline. The measured operational crossover sits near 4.56e3 deployed instances at the median of a six-point baseline-budget sweep; the per-instance neural-to-heuristic ratio is 2.29e-3. The contribution is the framework, the open instrumentation, and the end-to-end measurement protocol. Code and benchmark pipeline are available at https://github.com/sohaibafifi/aet.

The multicut problem is an NP-hard combinatorial optimization problem with diverse applications in fields such as bioinformatics, data mining and computer vision. Graph neural networks have been defined for the multicut problem but can be adapted further to its specific objective function and constraints. In this article, we introduce such an adapted graph neural network architecture in which features are assigned only to edges, and the computation of messages is based on triangles in the underlying graph. Experiments with synthetic and real-world instances with up to 200 nodes show that our method outperforms state-of-the-art heuristic solvers in terms of solution quality while maintaining feasible runtimes. For some instances, our method finds optimal solutions in seconds whereas exact solvers need hours to find and certify optimal solutions.

The quantum approximate optimization algorithm (QAOA) holds promise for combinatorial optimization but is constrained by limited qubits. While divide-and-conquer frameworks like QAOA$^{2}$ address scalability by partitioning graphs into subgraphs, existing methods suffer from two fundamental limitations: i) misalignment between heuristic partitioning metrics and quantum optimization goals, and ii) topology-blind parameter initialization that leads to optimization cold starts. To bridge these gaps, we propose Neural QAOA$^{2}$, an end-to-end differentiable framework that jointly generates graph partitions and initial parameters. By integrating a generative evaluative network (GEN), our method utilizes a differentiable quantum evaluator as a high-fidelity performance surrogate to provide direct gradient guidance, enabling the joint generator to learn the intrinsic mapping from graph topology to high-quality partition and parameter configurations. Extensive experiments on 183 QUBO, Ising, and MaxCut instances (21 to 1000 variables) demonstrate that our gradient-driven approach broadly outperforms heuristic baselines, ranking first on 101 instances. It exhibits zero-shot generalization across out-of-distribution graph topologies and scales.

Contextual combinatorial optimization (CCO) plays a critical role in decision-making under uncertainty, yet remains a significant challenge. We present Quantum End-to-End Learning (QEL), the first quantum computing-based end-to-end learning framework for CCO that leverages Quantum Approximate Optimization Algorithms. Inspired by the integration of state preparation and evolution in data re-uploading, we propose a context re-uploading phase-separator that jointly captures the complex relations among contexts, uncertain coefficients, and optimal solutions. This allows a contextual encoder to be seamlessly integrated within a quantum surrogate policy, enabling joint end-to-end training with a stationarity guarantee. Exploiting an optimization-aware structure grounded in physical principles that classical methods cannot readily leverage, our approach demonstrates practicality by directly training on task loss despite the discreteness and nonconvexity, while avoiding calls to NP-hard optimization solvers. QEL empirically achieves competitive performance while requiring substantially fewer parameters than classical benchmarks, highlighting its industrial-level potential for the future quantum era.

We propose graph-grounded optimization: a paradigm in which the decision variables, constraints, and objective coefficients of a real-world optimization problem are sourced from a property knowledge graph (KG) via Cypher queries, rather than supplied as free-form natural-language text or static tabular input. We motivate the paradigm by surveying recent LLM/SLM-driven optimization systems -- OptiMUS, Chain-of-Experts, LLMOPT, OPRO, FunSearch, Eureka -- none of which consume property graphs as the primary input modality. We instantiate the paradigm in the open-source samyama-graph database and evaluate seven real-world public-domain KG-backed problems spanning drug repurposing (245K-node biomedical KG), clinical-trial site selection (7.78M-node trial registry), Indian supply-chain rerouting (5.34M-node OSM road graph), healthcare equity allocation (WHO/GAVI/IHME KG), economic-environmental grid dispatch, antimicrobial-resistance stewardship (NCBI AMRFinderPlus, 10.4K resistance genes), and wildfire evacuation routing (OSM Paradise, CA). We compare a portfolio of Rao-family metaheuristics (BMWR, Jaya, SAMP-Jaya, EHR-Jaya, Rao-1) against Google OR-tools (CP-SAT and GLOP) reference solvers. We find that (i) no single Rao variant dominates: BMWR wins on discrete-with-tradeoff and high-dim-with-hard-constraint problems while Rao-1 wins on continuous low-/mid-dim problems, empirically supporting a portfolio approach; (ii) OR-tools dominates on small linear/MILP-friendly sub-problems but cannot encode the non-linear objectives that emerge in several of the real-world settings; (iii) graph-grounded formulations surface data-quality issues (missing properties, degenerate aggregates) that purely text-formulated optimizations would silently mask

The Linear Assignment Problem is a fundamental combinatorial optimization task where classical exact solvers ensure optimality but suffer from an $\mathcal{O}(N^{3})$ bottleneck, while recent neural approximations struggle with scalability and exactness. We propose a learning-augmented framework that accelerates exact solvers by predicting dual variables to warm-start the search, backed by a fallback mechanism to preserve worst-case guarantees. Central to our approach is RowDualNet, a lightweight, row-independent architecture that avoids the $\mathcal{O}(N^{2})$ memory bottleneck of graph models, enabling scalable neural warm-starting up to $N=16{,}384$. Feasibility is guaranteed by construction via the Min-Trick mechanism, completely eliminating the need for costly iterative projections. Empirically, our method drastically reduces the search effort of the Jonker-Volgenant (LAPJV) algorithm, yielding robust zero-shot generalization with strict optimality and end-to-end speedups of over 2x on complex synthetic data, 1.25x on real-world tracking, and 1.5x on transportation networks.

Large Language Models have recently emerged as a promising paradigm for automated heuristic design for NP-hard combinatorial optimization problems. Despite this progress, existing LLM-based methods typically rely on monolithic workflows constrained by rigid templates, thereby restricting memory-guided exploration and triggering premature convergence to local optima. To design an autonomous and collaborative architecture, we introduce HMACE, a Heterogeneous Multi-Agent Collaborative Evolution framework that reconceptualizes heuristic search as an organizational design problem. HMACE decomposes each evolutionary generation into an autonomous, role-specialized loop with four coordinated agents: a Proposer for strategy exploration, a Generator for executable heuristic synthesis, an Evaluator for empirical assessment, and a Reflector for archive-backed memory update. By coupling behavior-aware retrieval, lightweight candidate filtering, and fitness-grounded archive updates, HMACE guides the search toward diverse and promising heuristic behaviors while avoiding redundant evaluations. Extensive evaluations on representative COPs, including TSP, Online BPP, MKP, and PFSP, show that HMACE achieves a favorable quality-efficiency trade-off compared to state-of-the-art single-agent and multi-agent baselines. In the matched LLM-driven reference comparison, HMACE achieves the lowest average gaps on TSP and Online BPP (0.464% and 0.223%, respectively), while requiring only 0.13M and 0.42M tokens for the two tasks, substantially fewer than the compared baselines.

Vehicle Routing Problem (VRP) is one of the most complex NP-hard combinatorial optimization problem in transportation and logistics that requires a dynamic solution approach. In this paper we present a new hybrid approach that combines the Quantum Approximate Optimization Algorithm (QAOA) into the QRL policy network, instead of the usual variational layers, QAOA mixing and cost Hamiltonian layers. This enhancement enables the agent to exploit problem specific particular quantum correlations when learning policies, and so richer exploration of the routing solution space. The QAOA-augmented QRL framework shows quicker convergence in training and can tackle larger VRP instances that are beyond the reach of Grover's Adaptive Search (GAS) and Quantum Reinforcement Learning (QRL) approaches. Experiments on standard VRP instances demonstrate better solutions, fewer episodes to converge and good memory usage on near term quantum hardware simulators. These findings demonstrate QAOA- integrated QRL as a viable approach to scalable, high quality quantum-assisted combinatorial optimization.