Automated Heuristic Design

Dynamic resource assignment, the real-time allocation of task streams to heterogeneous processing nodes, is the backbone of modern computing infrastructure. While learning-based schedulers excel in research, industrial deployments still rely on hand-written rules that operators can read, audit, and execute within tight latency budgets. LLM-based Automatic Heuristic Design (AHD) promises to automate writing such rules. However, existing AHD frameworks were developed for combinatorial problems fully specified to the LLM, and they learn only from a scalar fitness score. In real systems, the behaviour that determines a good heuristic, such as processor speeds or power consumption, is unknown a priori: the score reveals which heuristic performs better, but not why. This missing information is recorded in the system logs that every evaluation produces. Exploiting it is non-trivial: logs are massive and noisy, the relevant signals depend on the objective, and their content and format vary across hardware and software stacks, so they can neither be fed to an LLM as is nor processed by a fixed parser. We propose TRACE, which couples an evolutionary AHD loop with an agentic knowledge-extraction workflow. A Reasoner agent analyzes the log schema in light of the objective and formulates hypotheses about the system dynamics; a Coder agent writes and executes schema-specific code to test them, producing insights or executable tools for the evolved heuristics. We evaluate TRACE on a synthetic cloud benchmark and a 5G vRAN scenario built from industrial testbed measurements and operational traffic traces. TRACE consistently outperforms state-of-the-art AHD methods in resource assignment problems and yields more auditable heuristics at under 2% overhead.

Designing high-performance microwave absorbers requires specialized expertise in electromagnetic theory, materials science and simulation programming, and entails time-consuming optimization. Here, we present AbsorbEvo, an agentic framework for autonomous inverse design that translates natural-language performance objectives into designs verified by full-wave simulations. Its candidate evolution strategy integrates language reasoning, physics-based prediction and historical feedback. A large language model proposes the directions and magnitudes of parameter adjustments based on task objectives and computational history. The system combines directed increments with global sampling to generate candidates and uses a low-cost predictive model as a physics prior to rank them. Only high-ranking designs undergo full-wave simulation. Results passing physical validity checks are used to evaluate performance and guide subsequent search. Experience from training tasks is further distilled into textual skills, which are independently validated before use in new tasks. Under identical proposal budgets on held-out AbsorbBench-36 tasks, AbsorbEvo achieved a task success rate of 79.17%, versus 25.00% for a generic agent and 12.50% for random search. Its mean best coverage was 0.7816, compared with 0.6434 and 0.6448, respectively. By integrating language reasoning and physics-based feedback into design decisions, AbsorbEvo provides a methodological foundation for natural-language-driven autonomous inverse design of microwave absorbers.

Large language model (LLM)-based automatic heuristic design (AHD) iteratively proposes and refines heuristics, pairing design rationales with executable code. Task-specific evaluators assess programs; execution outcomes and performance scores guide search. Many AHD systems keep the generator frozen; EvoTune and Co-Evolution of Algorithms and Language Model (CALM) instead update it from evaluated candidates. When such outcomes drive reinforcement learning with verifiable rewards (RLVR), they create a search-coupled loop: the evaluated candidate stream supplies both search-state updates and training signals for the model that generates future candidates. Yet validity and performance do not uniquely determine useful model updates; converting them into learning signals must account for the prompt and evolving search state that produced each candidate. We formulate online post-training of small open-weight LLMs in AHD as context-dependent signal construction and develop alternative mappings from program validity, task performance, and generation context to update signals. Using shared evaluated rollouts and matched update budgets, controlled experiments across AHD tasks and model families compare these mappings with online post-training baselines, testing their effects on validity, performance among valid proposals, and the yield of valid proposals that improve under contextual comparisons. Complementary checkpoint, frozen-search, and live-system evaluations assess whether proposal-level gains appear in updated checkpoint behavior and subsequent search, rather than arising solely from accumulated search state. A resource-matched comparison under pre-specified cost accounting tests whether online updating adds value beyond additional search with a frozen generator. Together, this design avoids treating end-to-end search gains alone as evidence of stronger heuristic-design capabilities.

Large language models (LLMs) have emerged as powerful tools for automated heuristic design (AHD), enabling iterative generation and refinement of heuristics. However, the dominant paradigm embeds LLMs as narrow, fixed components, such as crossover or mutation, within heavily hand-engineered evolutionary frameworks. We argue this misapprehends LLMs. It treats them as specialized tools rather than general reasoners, constrains them to low-level operations, and underutilizes their autonomy. Moreover, the extensive human priors in these frameworks violate the bitter lesson principle that general methods scaling with computation surpass hand-crafted solutions. This raises a key question: which AHD framework designs best convert stronger LLM capabilities into better heuristics? To address this, we propose metrics for LLM-driven AHD framework handcraftedness (AHI) and intelligence conversion efficiency (ICE). Evaluating ten LLMs across three challenging combinatorial optimization problems, we obtain a notable finding that frameworks with fewer human priors consistently yield higher ICE. Based on this finding, we propose SimpleEvol, an agent-loop framework for AHD which removes nearly all human priors and allows the LLM to operate autonomously. SimpleEvol consistently achieves the highest ICE, often by a large margin. Our results challenge the trend toward complex AHD pipelines and point to a lighter and more model-centric alternative, suggesting that reducing human priors is a more effective strategy to scale up with model intelligence. The source code is available at https://github.com/HenryZhu1029/SimpleEvol-Master.

Recent advances in agentic heuristic design use AI agents and execution feedback to automate algorithm discovery for challenging optimization problems. In many practical settings, high-quality solutions must be obtained under strict runtime constraints, motivating hybrid approaches that combine problem-specific heuristics with powerful mathematical programming solvers. However, existing approaches typically improve heuristic components within predefined procedures or tune solver configurations in isolation. This limits holistic adaptation of where to allocate computation, how to leverage solvers, and how to refine the overall algorithmic structure. To address these limitations, we propose HeurEvo, an automated plan--code--component co-evolution framework that jointly evolves the high-level algorithmic structures, their implementations, and a shared pool of reusable components. A planner determines which algorithmic components to use, how to combine them, and how to allocate runtime across stages, a coder realizes the resulting plan as executable code, while a component evolver updates the shared component pool. Within an island-based evolutionary framework, plans and implementations co-evolve with feedback from an interpreter agent that analyzes execution results and identifies opportunities for improvement. Across diverse combinatorial optimization benchmarks and challenging MIPLIB instances, HeurEvo finds high-quality solutions within tight runtime budgets, often matching or surpassing state-of-the-art optimization solvers given hours or days of computation. On several nonlinear geometry problems such as hexagon packing, it also improves upon the best previously reported results. These results highlight the value of jointly searching over algorithmic structure and implementation for agentic heuristic design.

Agent behavior depends on the harness surrounding a language model, but it remains unclear whether language models can reliably improve such harnesses for hardware-design tasks. We study automatic harness evolution around a fixed subject model on 12 proprietary design-verification root-cause localization tasks. Across five trials per task, automatically evolved harnesses increased completed attempts by 71-76% and any-hit task coverage by 80-100%, while total correct attempts improved by only 18-24%. The strongest success reproducible at least twice result improved by one task, and later candidates exchanged gains across tasks rather than preserving them. An auxiliary candidate improved on a four-task validation set excluded from search but tied its baseline on a subsequent 12-task replay containing both search and validation tasks, so the selected gain did not persist across the full pool. Across the tested lineage, useful search, evidence, and finalization behaviors appeared in different candidates but did not consistently consolidate into a single harness that dominated across tasks and metrics. In a separate CVDP cross-benchmark case study, an automatically evolved defined-width repair harness produced 35.6% more functional passes than its 142-task reference baseline; the final functional verifier scored completed outputs but was not shown to the subject agent during repair. These results support archive-aware selection when evolution yields complementary specializations without consistent consolidation.

Large language models (LLMs) enable automated algorithm design (AAD) through reasoning and code synthesis. However, most existing LLM-based AAD methods separate algorithm design from target optimization, deploying a fixed design even as the optimization state evolves. Conventional adaptive optimizers can respond to such changes, but their adjustments remain confined to predefined parameters, operators, or strategies. To address these limitations, we introduce online LLM-based AAD, a novel optimization paradigm that treats the algorithm itself as a state-dependent decision variable. At each stage, LLM agents synthesize an algorithm with new behavior logic from the current optimization state. Executing the generated algorithm advances the search and provides feedback for subsequent designs, coupling algorithm design with target optimization without requiring a separate offline algorithm pretraining stage. To implement this paradigm, we propose OnDesign, a multi-agent framework that reconciles competing design perspectives to synthesize executable algorithms and uses execution feedback to refine how runtime evidence is interpreted for subsequent designs. We evaluate OnDesign across two mainstream black-box optimization paradigms on three scenarios: Bayesian optimization, evolutionary continuous optimization, and evolutionary mixed-variable optimization. Extensive experiments on six benchmark suites and one engineering problem across multiple problem dimensions demonstrate superior overall performance over conventional optimizers and offline LLM-based AAD methods.

Efficient routing optimization is essential to freight transportation, urban logistics, and shared mobility, where high-quality heuristics are often required under limited computational budgets. Recent large language model (LLM)-based automated heuristic design methods can generate effective routing rules, but aggregate evaluation may mask recurrent failures on particular instance structures. To address this limitation, this study develops RouteRepair, which diagnoses parent-specific weaknesses from instance-level performance and applies targeted modifications to the corresponding heuristic components while protecting behavior that already performs well. Routing evidence, solver behavior, and program context are combined to define bounded repair objectives, and each intervention is validated through matched parent-child evaluation of failure recovery and collateral degradation. Experiments on the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) span constructive search, guided local search, and ant colony optimization. RouteRepair-GLS reduces the mean TSP optimality gap from 1.7476% to 0.7587%, while the constructive CVRP heuristic lowers average route cost by 1.91% relative to the savings heuristic; the generated ACO priors also outperform matched hand-designed priors. These results show that failure-aware, evidence-constrained refinement can improve routing heuristics on difficult instances while preserving performance on cases they already solve well.

Large language models (LLMs) are increasingly used in software development, but their use in complex hardware design remains limited. This gap stems from both the scarcity of public hardware training data and the fundamentally different methodologies used in hardware design. In particular, applying LLMs to hardware requires more than direct RTL generation: the model must understand module boundaries, inter-module connections, and verification requirements. In this paper, we present an LLM-based hardware development framework with hierarchical intermediate representations (IRs) and an end-to-end multi-agent workflow. The core idea is to provide an abstraction of hardware design to LLMs through two structured IRs: Architectural Sketch, which captures module topology and interconnection, and Operational Specification, which defines per-module functionality and interfaces. Our framework uses these IRs to decompose a complex design into sub-modules, specify the per-block functionality, and derive how each module should be tested and verified. We incorporate a multi-agent debug loop in the framework, allowing agents to get the error feedback and control the debug details such as the signals to be probed for simulation. We evaluate our framework on Verilog-Eval benchmark, achieving a pass@5 rate of 95.5%, which surpasses current state-of-the-art LLM generation frameworks. To better assess performance on complex, realistic designs, we introduce a new case study spanning applications from general-purpose processors to digital signal processing systems. Experimental results indicate that such complex designs exceed the capabilities of existing approaches, whereas our framework is the only one capable of producing functional end-to-end design. Our generated RTL follows all industry-standard design rules, is lint-clean, functionally correct and fully synthesizable.

Simulation-based optimization (SBO) evaluates executable policies under stochastic dynamics, but most methods treat the simulator as a black box: aggregate scores rank candidates without revealing why they fail or which policy logic should change. We present an LLM-guided heuristic design framework that uses repeated simulation for selection and event-level traces for diagnosis. Each incumbent is assessed through multiple replications, while replaying its lowest-scoring one produces a queryable trace. A manager agent formulates bottleneck hypotheses from this evidence, and editing agents implement parallel code-level revisions. After execution checks and repeated evaluation, best-so-far selection retains only improvements. LLM revision occurs between evaluation batches, while a fixed policy controls each simulation run. We evaluate the framework in a discrete-event simulation of dynamic production and automated guided vehicle (AGV) scheduling. Across five independent optimization runs with Gemini-3.1-Pro, final mean scores averaged 77.51 on the simulator's 0-100 scale. In the highest-scoring run, trace-based diagnoses motivated proactive charging, distance-aware AGV assignment, and rebalanced dispatch priorities, raising the best-so-far mean score from 62.49 to 78.61. On 100 matched seeds, the best final policy outscored representative rolling-MILP, rule-based, and metaheuristic policies on every seed and retained its advantage under random faults without re-optimization. After separate re-optimization for a longer horizon and variable order interarrival times, the resulting policies again outscored all baselines. Ablations with two LLM backbones showed that removing either parallel candidate generation or trace-database access reduced final mean scores. These results show that simulation traces can guide targeted code-level policy improvement in complex simulation-based scheduling.

Network dismantling is fundamental to analyzing the robustness and vulnerability of complex systems, yet practical heuristics must balance effectiveness and computational efficiency, and are usually designed manually by researchers. Existing large language model based automatic heuristic design methods can generate and screen candidates, yet they have difficulty further transforming candidate quality or failure states during execution into structural-level guid- ance for subsequent generation. We propose AutoSND, a three stage tree search framework for complete network dismantling pro- grams. Stage I broadly explores from simple heuristics and archives execution evidence. Stage II compiles candidate records into struc- tural policies concerning local signals, neighborhood access, and state update ranges. Stage III continues tree search conditioned on these policies and obtains the final quality prioritized and speed prioritized candidates, AutoSND-Q/S. Experiments on 12 real world networks and 3 large real world networks show that AutoSND achieves better search performance and stability and discovers more competitive and structurally interpretable network disman- tling programs. The final candidates form an interpretable structure that uses residual degree as the backbone, adjusts node order with bounded local signals, and restricts the state update range. Code is available at https://github.com/MirrorNew/AutoSND.

Large language model-based automated heuristic design (LLM-AHD) has shown strong potential in discovering effective heuristics for combinatorial optimization problems. However, existing methods primarily optimize a single heuristic, whereas practical optimization frameworks often rely on multiple interacting components. Directly extending single-heuristic methods is challenging because early component selection can overlook components with late potential, while independent evolution ignores inter-component dependencies. We propose MuEvo, an LLM-driven framework for evolving heuristic ensembles under ensemble-level feedback. MuEvo combines Dynamic Component Management, which uses short-budget probing and a reversible lifecycle to revise component priorities throughout the search, with LLM-Driven Co-Evolution, which coordinates component populations through Multi-Ensemble Evaluation, Cross-Component Information Sharing, Relation-Guided Pair Evolution, and Adaptive Budget Allocation. We evaluate MuEvo on selection hyper-heuristics and componentized ant colony optimization across four combinatorial optimization domains. Results show that MuEvo consistently improves human-designed frameworks and outperforms representative multi-component extensions of state-of-the-art LLM-AHD methods, demonstrating its effectiveness across both controller-mediated heuristic pools and functionally differentiated algorithmic components.

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 problems appear in numerous industrial applications. A common approach is to formulate these problems as declarative constraint models that can subsequently be compiled to and solved by a range of back-end solvers. Recent work shows that Large Language Models (LLMs) can produce correct models from natural language, but even a correct model can be expensive to solve because performance remains sensitive to modelling choices. In this work, we investigate whether LLMs can automate performance-oriented model reformulation. Inspired by Automatic Heuristic Design (AHD), we use an evolutionary framework in which an LLM proposes candidate reformulations that are verified and benchmarked against the user-defined baseline model. We compare AHD-adapted search strategies that control which prior attempts, instructions, and measured feedback enter each prompt. Existing retention strategies prioritize recency or performance, but do not explicitly diversify the context. To cover this gap, we introduce Profile-Diverse Retention (PDR), which applies Maximal Marginal Relevance (MMR) to instance-level runtime vectors to retain behaviourally diverse attempts. We systematically evaluate the strategies on eight CSPLib problems using validation-based final model selection. The results show that: (i) iterative reformulation can produce substantial held-out speedups; (ii) strategies that keep the retained context diverse outperform those that retain only recent or the fastest attempts; and (iii) validation-based selection improves the held-out speedup of every strategy.

LLM-based automated heuristic design (AHD) typically scores executable programs on complete instances or within fixed solver components. In large-scale routing problems, localized reconstruction reduces the size of each optimization task, but repair regions within the same incumbent can exhibit substantially different structures. One construction rule must therefore compromise across them. In this paper, we propose SpecAHD, a coupled bilevel framework for within-instance specialization. An upper-level search learns where to expose bounded repair regions, while a lower-level search evolves a complementary repertoire of executable heuristics for the induced repair tasks. The upper-level program determines the repair tasks seen by the lower level, while checked repair outcomes determine how upper-level programs are evaluated. The lower-level objective favors heuristics that perform well on average or solve tasks that the current repertoire handles poorly. For the repair tasks induced by a fixed upper-level program and a fixed lower-level candidate pool, this objective is monotone submodular, allowing greedy repertoire selection with a (1-1/e) approximation guarantee. Across four routing problems and multiple LLM backbones, SpecAHD reduces held-out objective cost by up to 57.7% against the strongest competing AHD baseline and outperforms the per-instance baseline envelope on most public instances.

Expensive simulation-driven design is widely used in engineering to identify requirement-satisfying designs with as few high-fidelity simulations as possible. Most existing efforts address this challenge by improving optimization algorithms under fixed formulations, yet the formulation itself shapes the search landscape by defining the objectives and constraints optimized by the solver. Recent LLM-based automatic problem formulation methods generate formulations from natural-language requirements, but they mainly focus on design-intent alignment and overlook whether the formulation induces an efficient search process. To address this limitation, we propose SHA-PF, a search hardness-aware LLM-based problem formulation framework. We find that a formulation is more likely to guide efficient search when it prioritizes rare samples with greater progress potential. Based on this finding, SHA-PF defines a formulation search objective guided by search hardness, scoring each candidate formulation according to the priority. SHA-PF then searches the formulation space under this objective through LLM-based generation, repair, and evolutionary refinement. Experiments on the real-world multi-objective benchmark and five expensive antenna design benchmarks show that the formulations discovered by SHA-PF require significantly fewer evaluations to reach the design requirements than other baselines.

Design rule check (DRC) closure remains a major bottleneck in advanced-node physical design. Although detailed routers are rule-aware, residual design rule violations (DRVs) often require manual engineering change order iterations. Automating this process is challenging because repairs must account for complex geometric interactions, preserve circuit connectivity, and avoid introducing new violations. We present EvoDRC, a skill-evolution framework for agentic block-level DRC repair. EvoDRC initializes layer-specific repair skills using knowledge distilled from an unrelated reference design and continuously evolves these skills using traceable repair experience collected from the target design. EvoDRC decomposes the layout into bounded repair regions and assigns an LLM repair agent to each region. Local DRC analysis, connectivity-checking, and impact-preview tools provide feedback on proposed modifications. Repair operations and their resulting DRV changes are stored in a knowledge database and used to evolve the repair skills. Experiments on seven block-level designs from the DAC26 DRC Benchmark show that EvoDRC achieves a 73.5% overall reduction compared to the reported baseline.

Large language models (LLMs) have made automated heuristic design (AHD) increasingly practical by generating executable heuristic code from task descriptions and evaluator feedback. Yet under a limited query and evaluation budget, search efficiency depends critically on a pre-generation decision. Before each LLM query and black-box evaluation, the system must choose which archived heuristics to reuse as parents and which generation operator should transform them. Existing methods typically choose such actions with predefined rules, leaving the expected outcome of each concrete operator-parent action only indirectly modeled. Therefore, we propose \emph{\fullmethod{}} (\method{}), a surrogate-guided action-selection module for operator-parent selection in LLM-based AHD. \method{} guides the LLM code-generation process by scoring pre-generation actions with two complementary surrogates. Specifically, a transition surrogate is proposed to predict the latent distribution of the child representation induced by an operator-parent action, while an instance-conditioned utility surrogate is proposed to estimate the expected performance of sampled child latents. Moreover, we propose an uncertainty-aware acquisition rule that combines predicted utility, utility uncertainty, and transition uncertainty to select the next LLM generation action. Across a diverse heuristic-design suite, \method{} is competitive with strong LLM-AHD baselines, and ablation and action-selection analyses suggest that its behavior goes beyond simple archive ranking or fixed operator preferences.

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.

The integration of Large Language Models (LLMs) with evolutionary computation has emerged as a powerful paradigm for automated heuristic design in combinatorial optimization. However, existing approaches suffer from mode collapse, converging to homogeneous populations that lack semantic diversity and fail to explore the full algorithmic space. We propose Quality-Diversity Evolution (QDEvo), a multi-objective framework that integrates Quality-Diversity optimization with LLM-driven heuristic search, maintaining an unbounded archive of semantically diverse algorithms using pre-trained code embeddings and incorporating hierarchical self-reflection to guide the evolutionary process. Extensive experiments across standard benchmarks and real-world industrial applications demonstrate that QDEvo significantly outperforms state-of-the-art methods in both Hypervolume and Inverted Generational Distance metrics. Our framework enables the discovery of heuristics that are simultaneously high-performing, computationally efficient, and semantically diverse, providing practitioners with a rich portfolio of solutions for complex optimization problems.

Automated Heuristic Design (AHD) with Large Language Models (LLMs) has shown remarkable progress in discovering high-quality heuristics. However, existing LLM-based AHD methods optimize heuristics for a fixed training instance set and may fail catastrophically when deployed under real-world distributional shifts. We propose Robust Adversary Instance Search (RAISE), a framework that integrates constrained worst-case instance search within a principled neighborhood of the training distribution into the LLM-based evolutionary search loop. RAISE treats robust AHD as a constrained adversarial instance search problem: the outer loop evolves heuristics via LLM operators, while an LLM-free inner loop efficiently identifies hard instances within an epsilon-ball around the training instance set using a basis distribution parameterization with boundary projection. Comprehensive experiments on Online Bin Packing (OBP), Online Job Shop Scheduling (OJSP), and Online Vehicle Routing (OVRP) across five distribution families demonstrate that existing LLM-based AHD methods degrade by up to 19 times under distribution shift, while RAISE consistently maintains strong performance across all tested distributions and problem scales

Designing an algorithm from a natural-language problem statement requires identifying the problem structure, reading constraints, choosing a suitable paradigm, checking correctness, and refining complexity. Existing large language model (LLM) methods often rely on direct generation or generic self-refinement, leaving these steps implicit. We propose AlgoSkill, which models algorithm design as sequential decision-making over a typed library of algorithmic skills, including abstraction, constraint analysis, state design, data-structure selection, proof checking, counterexample construction, and complexity refinement. A learned scheduler proposes skills from the current design state, while a Monte Carlo Tree Search (MCTS) controller explores skill sequences using verification feedback from compilation, testing, stress testing, and complexity analysis. Experiments on competitive programming and combinatorial optimization benchmarks show that AlgoSkill improves over direct LLM generation, chain-of-thought prompting, self-refinement, and MCTS without typed skills. Ablations show that typed skills, verification-based repair, and search-based scheduling each contribute to performance. These results support treating automatic algorithm design as verification-guided skill scheduling rather than one-shot code generation.

We present HORIZON, a self-evolving agent framework that treats hardware design as repository-level code evolution. A Markdown harness is compiled into a project pack containing domain knowledge, an executable evaluator, an acceptance predicate, and a git/runtime policy; a hands-free agent loop then evolves an isolated git worktree, using repository operations for state management, tracing, and replay. This extends prior works of repository-scale self-evolution from EDA software systems, to hardware-design artifacts themselves. We evaluate our approach on ChipBench, RTLLM, Verilog-Eval, and nine CVDP categories, achieving 100% benchmark completion across all suites with a fully hands-free agentic loop. However, we do not claim that agentic AI for hardware design is solved: these benchmarks are controlled proxies for a much broader engineering problem in chip design. Section~\ref{sec:discuss} examines the limitations of the current study and highlights open research challenges.

Traditional architectural design space exploration (DSE) is highly inefficient, typically requiring tens of thousands of simulator evaluations across various optimization methods. This inefficiency arises because conventional methods treat the simulator as a black-box oracle. In contrast, human architects effectively guide exploration by reasoning through physical constraints, performance bottlenecks, data reuse, and workload structures. To bridge this gap, we introduce AgentDSE, a simulator-in-the-loop methodology driven by a general-purpose large language model (LLM) coding agent. AgentDSE automates this architectural-reasoning loop without requiring model fine-tuning, precomputed design databases, or domain-specific optimizer code. Across deep neural network (DNN) accelerator mapping, hardware/software co-design, and CPU cache-hierarchy optimization, AgentDSE achieves competitive or better design quality with up to two orders of magnitude fewer evaluations. AgentDSE also produces inspectable traces that surface architectural hypotheses, performance cliffs, implicit priors, and simulator artifacts, making every search decision traceable rather than buried in optimizer state.

Large Language Models (LLMs) have advanced Automatic Heuristic Design (AHD) by enabling heuristic generation through reasoning and code synthesis. In LLM-based AHD, the LLM reasons about algorithm design and generates executable heuristic code. Existing architectures adopt two main paradigms: Natural Evolution applies crossover and mutation to this code to explore diverse strategies, but discards the reasoning traces behind the design decisions, weakening knowledge retention; Metacognitive Evolution retains these reasoning traces and refines them through reflection, but lacks population-level recombination, limiting exploration. These limitations reduce search efficiency, stability, and solution quality on complex problems. To address this gap, we propose MeEvo, an AHD framework that cyclically couples Natural Evolution and Metacognitive Evolution with operator balance that shifts from exploration to exploitation. Natural Evolution explores heuristic code while recording LLM-generated reasoning traces, fitness values, errors and best heuristic into a shared history; Metacognitive Evolution then reflects on this history to generate improved heuristics that feed into the next Natural Evolution cycle. This design enables population-driven exploration and reflection-driven refinement to reinforce each other. Experiments on five optimization problems show that MeEvo achieves stronger performance and lower variance than tested LLM-based AHD architectures, especially on complex constrained tasks.

Large language models (LLMs) have shown promise in code summarization, yet their effectiveness for Hardware Description Languages (HDLs) like VHDL and Verilog remains underexplored. We propose ROSUM-MCTS, an LLM-guided approach inspired by Monte Carlo Tree Search (MCTS) that refines summaries through structured exploration and reinforcement-driven optimization. Our method integrates both local and global context via a hierarchical candidate expansion mechanism and optimizes summaries using a composite reward function balancing functional correctness (FC), local content adequacy (LCA), and fluency. We evaluate ROSUM-MCTS on the VHDL-eval and Verilog-eval datasets, demonstrating its consistent outperformance over baseline methods by leveraging structured bottom-up refinement and reinforcement-based optimization. Ablation studies confirm the necessity of both local and global expansion strategies, as well as the importance of balancing FC and LCA for optimal performance. Furthermore, ROSUM-MCTS proves robust against superficial modifications, such as variable renaming, maintaining summary quality where baselines degrade. These results establish ROSUM-MCTS as an effective and robust HDL summarization framework, paving the way for further research into reinforcement-enhanced code summarization.

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.

Large language models are undergoing a transition from model technology to system technology. Engineering challenges like cache reuse, context capacity, agent scheduling, and permission control resemble classical computer systems problems. This raises a question: if we treat the LLM as a CPU, KV cache as processor cache, context window as main memory, and agent framework as an operating system, can decades of computer architecture wisdom guide next generation model native systems? This paper pursues this analogy as a visionary survey. We map computer architecture concepts onto the emerging model native stack, survey literature across LLM as OS, memory management, agent frameworks, tool protocols, multi agent coordination, cognitive architectures, and safety governance, finding that each addresses a different layer without a unifying model. We propose the Intelligent Computing Architecture (ICA): six functional layers with interface contracts and design axioms. We resolve the tension over whether the LLM resembles a CPU or OS via a dual plane architecture a probabilistic execution plane (what can be computed) and a deterministic control plane (what should be computed), with every layer passing through as a graded crossover. We propose three Amdahl style design heuristics Semantic Locality, Context Budget, and Agent Speedup as organizing back of envelope models, illustrate their parameter ranges with published data, and identify predictive validation as the principal open task. We articulate analogy boundaries, note differences between silicon and model era architectures, and propose a research roadmap. This is a conceptual and survey contribution with no new experimental results.

The integration of Large Language Models (LLMs) into evolutionary frameworks has established a new paradigm for automated heuristic discovery. Despite their promise, these methods typically search in the discrete space of program syntax, relying on stochastic sampling to navigate a highly non-convex optimization landscape. This work proposes a continuous heuristic discovery framework that shifts optimization to a learned latent manifold. We employ an encoder to map discrete programs into continuous embeddings and train a differentiable surrogate model to predict performance, enabling gradient-based search. To regularize the optimization trajectory, an invertible normalizing flow maps these embeddings to a structured Gaussian prior, where we perform gradient ascent. The resulting optimized latent vectors are projected through a learned mapper into soft prompts, which condition a frozen LLM to synthesize novel executable heuristics. We evaluate the proposed method on the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), the Knapsack Problem (KSP), and Online Bin Packing (OBP). Empirical results demonstrate that continuous latent-space optimization achieves performance competitive with state-of-the-art discrete evolutionary baselines while offering a complementary methodological alternative for automated algorithm design. The implementation code is available at \url{https://github.com/cheikh025/LHS}.

Accelerating applications through the design of hardware accelerators can significantly enhance system performance and energy efficiency. Despite advances, such as high-level synthesis (HLS), designing accelerators for complex applications still remains highly labor-intensive, demanding considerable expertise in understanding workloads to be accelerated, hardware design, micro-architecture, and EDA tool usage, posing challenges for application domain experts. Therefore, most accelerator solutions are limited to applications with a regular predictable dataflow. Advances in AI have enabled agents that perform autonomous planning, reasoning, execution and reflection, leading to unprecedented potential for automation through agentic AI. We present A3D, an Agentic AI flow for end-to-end Automation of hardware Accelerator Design. A3D automates workload analysis, performance bottleneck identification, code refactoring for HLS compatibility and micro-architecture generation. A3D also generates diverse accelerator designs by automatically exploring the speed-area tradeoff space. Recent efforts have explored the use of AI for specific tasks such as design space exploration in HLS, leaving several tasks to still be performed manually. A3D addresses the challenges in applying modern LLMs to accelerator design by judiciously partitioning tasks among specialist agents, orchestrating process loops with specialist and verifier agents, utilizing pre-existing and custom tools, and employing agentic RAG for codebase and proprietary EDA tool documentation exploration. Our implementation of A3D, using commercial components like Claude Sonnet 4.5 and the Catapult HLS tool, demonstrates its effectiveness by generating accelerator designs with no human intervention from complex scientific applications like LAMMPS (molecular dynamics simulation) and QMCPACK (quantum chemistry).

LLM-based automatic heuristic design has shown promise for generating executable heuristics for combinatorial optimization, but existing methods mainly rely on delayed endpoint performance. We propose a \emph{teacher-aware evolutionary framework} that uses independently trained learned optimization policies as behavioral teachers. Instead of deploying or imitating the teacher, our method queries it on states visited by candidate heuristic programs and uses its action preferences as local feedback for evolution. The resulting search discovers static executable heuristics guided by both task performance and teacher-derived behavioral signals. Experiments on scheduling, routing, and graph optimization benchmarks show that our method improves over performance-driven LLM heuristic evolution baselines while requiring no neural inference at deployment. These results suggest that learned optimization policies can be repurposed as behavioral feedback sources for automatic heuristic discovery.

Large language models (LLMs) have emerged as powerful tools for automatic algorithm design (AAD). However, existing pipelines remain inefficient. They operate at the granularity of full algorithms, redundantly rewriting recurring substructures and discarding low-fitness candidates that may contain valuable algorithmic features. We formalize budget-efficient automatic algorithm design, wherein the search policy maximizes realized fitness subject to limited computational cost. We propose a directed acyclic graph representation of algorithms and build a search framework that fully exploits the LLM's output. Instead of querying the LLM for full algorithms, we use it to obtain corrections: compact operators that add, replace, or remove code blocks. Each correction augments the graph, yielding new algorithms that compose with prior corrections. This graph structure decomposes algorithms into sets of corrections, enabling correction-level credit assignment that informs subsequent queries. We complement this framework with theoretical insights into the ideal balance between search depth and breadth at different budget levels. We validate our method empirically on three combinatorial optimization problems, demonstrating consistent superiority of our graph-based search over full-algorithm search at equal token budget. Finally, our experiments suggest that rich contexts help only when the LLM's prior knowledge is shallow, and can hinder performance otherwise.

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e., LLM-AHD), can autonomously discover high-performing heuristics. However, existing LLM-AHD frameworks typically treat LLMs as passive generators within fixed workflows, where the model generates heuristics from manually designed, limited context. Such context may fail to capture state-dependent information (e.g., specific failure modes), leading to inefficient trial-and-error exploration. To overcome these limitations, we propose AHD Agent, a novel tool-integrated, multi-turn framework that empowers LLMs to proactively decide whether to generate heuristics or invoke tools to retrieve targeted evidence from the solving environment. To effectively train such a dynamic decision-making agent, we introduce an agentic reinforcement learning (RL) system, which leverages a novel environment synthesis pipeline to optimize a compact model's generalizable AHD capabilities. Experiments across eight diverse domains, including four held-out tasks, demonstrate that our 4B-parameter agent matches or surpasses state-of-the-art baselines using much larger models, while requiring significantly fewer evaluations. Model and inference scaling analysis further reveals that AHD Agent offers an effective trajectory toward truly autonomous heuristic design.

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.

Many real-world optimization problems consist of multiple tightly coupled subproblems whose solutions must be coordinated to achieve high overall performance. However, existing large language model driven automated heuristic design approaches are limited to single-problem settings. In this paper, we propose CoupleEvo. CoupleEvo proposes three evolutionary coordination strategies to evolve heuristics for coupled optimization problems: the sequential strategy evolves heuristics for one subproblem after the other; the iterative strategy alternates the evolution of heuristics for different subproblems over successive generations; and the integrated strategy evolves heuristics for all problems simultaneously. The approach is evaluated on two representative coupled optimization problems. Experimental results show that decomposition-based strategies (sequential and iterative) provide more stable convergence and higher solution quality, while the integrated evolution strategy suffers from increased search complexity and variability. These findings highlight the importance of coordinating evolutionary search across interdependent subproblems and demonstrate the potential of LLM-driven heuristic design for complex coupled optimization problems. The code is available: https://github.com/tb-git-kit-research/CoupleEvo.

Large language models (LLMs) have recently advanced automatic heuristic design (AHD) for combinatorial optimization (CO), where candidate heuristics are iteratively proposed, evaluated, and refined. Most existing approaches search over executable programs and distill insights from execution feedback to guide later iterations. Because this process moves from low-level implementations to high-level principles, we refer to it as a bottom-up paradigm. We argue that this view is incomplete and introduce a complementary top-down perspective: knowledge becomes the primary search object and code merely instantiates and tests it, making what is learned explicit and reusable across problems and trajectories. We formalize this shift through a statistical-learning view that exposes a distortion--compression trade-off, and instantiate it in both population-based and tree-based AHD frameworks. Across CO and tasks beyond it, knowledge-first search improves discovery efficiency, transfer, and generalization, often outperforming code-centric pipelines, while combining both strategies yields further gains. Our results suggest that progress in AHD depends on iteratively constructing and evolving interpretable hypotheses that retain value beyond a single search trajectory.

Solving large-scale CVRP (LSCVRP) with hundreds to thousands of nodes remains difficult for even state-of-the-art solvers. Divide-and-conquer can scale by decomposing the instance into size-reduced subproblems, but designing decomposition logic and configuring sub-solvers is highly expertise- and labor-intensive. Large Language Models (LLMs) have emerged as promising tools for automated algorithm design. However, existing LLM-driven approaches struggle with LSCVRP primarily due to the difficulty in generating sophisticated search strategies within a limited context window. To bridge this gap, we propose the LLM-assisted Flexible Monte Carlo Tree Search (LaF-MCTS), a novel framework that automates the design of high-performance LSCVRP solvers. We develop a three-tier decision hierarchy to enable incremental design of decomposition policies and sub-solvers for LSCVRP. To enable efficient search within the algorithmic hypothesis space, we introduce semantic pruning to eliminate semantically and structurally redundant codes, and branch regrowth to regenerate codes and preserve diversity. Extensive experiments on CVRPLib demonstrate that LaF-MCTS autonomously composes and optimizes decomposition-enhanced solvers that surpasses various state-of-the-art CVRP solvers.

Rapid advances in Large Language Models (LLMs) create new opportunities by enabling efficient exploration of broad, complex design spaces. This is particularly valuable in computer architecture, where performance depends on microarchitectural designs and policies drawn from vast combinatorial spaces. We introduce Agentic Architect, an agentic AI framework for computer architecture design exploration and optimization that combines LLM-driven code evolution with cycle-accurate simulation. The human architect specifies the optimization target, seed design, scoring function, simulator interface, and benchmark split, while the LLM explores implementations within these constraints. Across cache replacement, data prefetching, and branch prediction, Agentic Architect matches or exceeds state-of-the-art designs. Our best evolved cache replacement design achieves a 1.062x geomean IPC speedup over LRU, 0.6% over Mockingjay (1.056x). Our evolved branch predictor achieves a 1.100x geomean IPC speedup over Bimodal, 1.5% over its Hashed Perceptron seed (1.085x). Finally, our evolved prefetcher achieves a 1.76x geomean IPC speedup over no prefetching, 17% over its VA/AMPM Lite seed (1.59x) and 21% over SMS (1.55x). Our analysis surfaces several findings about agentic AI-driven microarchitecture design. Across evolved designs, components often correspond to known techniques; the novelty lies in how they are coordinated. The architect's role is shifting, but the human remains central. Seed quality bounds what search can achieve: evolution can refine and extend an existing mechanism, but cannot compensate for a weak foundation. Likewise, objectives, constraints, and prompt guidance affect reliability and generalization. Overall, Agentic Architect is the first end-to-end open-source framework for agentic AI architecture exploration and optimization.

Designing heuristics for combinatorial optimization problems (COPs) is a fundamental yet challenging task that traditionally requires extensive domain expertise. Recently, Large Language Model (LLM)-based Automated Heuristic Design (AHD) has shown promise in autonomously generating heuristic components with minimal human intervention. However, most existing LLM-based AHD methods enforce fixed algorithmic templates to ensure executability, which confines the search to component-level tuning and limits system-level algorithmic expressiveness. To enable open-ended solver synthesis beyond rigid templates, we propose Automated Algorithm Design via Evolutionary Program Trees (A2DEPT), which treats LLMs as system-level algorithm architects. A2DEPT explores the vast program space via a tree-structured evolutionary search with hybrid selection and hierarchical operators, enabling iterative refinement of complete algorithms. To make open-ended generation practical, we enforce executability with a lightweight program-maintenance loop that performs feedback-driven repair. In experiments, A2DEPT consistently outperforms representative LLM-based baselines on both standard and highly constrained benchmarks. On the standard benchmarks, it reduces the mean normalized optimality gap by 9.8% relative to the strongest competing AHD baseline.

Large Language Models (LLMs) have shown promising progress for generating Register Transfer Level (RTL) hardware designs, largely because they can rapidly propose alternative architectural realizations. However, single-shot LLM generation struggles to consistently produce designs that are both functionally correct and power-efficient. This paper proposes HYPERHEURIST, a simulated annealing-based control framework that treats LLM-generated RTL as intermediate candidates rather than final designs. The suggested system not only focuses on functionality correctness but also on Power-Performance-Area (PPA) optimization. In the first phase, RTL candidates are filtered through compilation, structural checks, and simulation to identify functionally valid designs. PPA optimization is restricted to RTL designs that have already passed compilation and simulation. Evaluated across eight RTL benchmarks, this staged approach yields more stable and repeatable optimization behavior than single-pass LLM-generated RTL.

We present a new high-level synthesis methodology for using large language model tools to generate hardware designs. The methodology uses exclusively open-source tools excluding the large language model. As a case study, we use our methodology to generate a permuted congruential random number generator design with a wishbone interface. We verify the functionality and quality of the random number generator design using large language model-generated simulations and the Dieharder randomness test suite. We document all the large language model chat logs, Python scripts, Verilog scripts, and simulation results used in the case study. We believe that our method of hardware design generation coupled with the open source silicon 130 nm design tools will revolutionize application-specific integrated circuit design. Our methodology significantly lowers the bar to entry when building domain-specific computing accelerators for the Internet of Things and proof of concept prototypes for later fabrication in more modern process nodes.

The design of reinforced concrete (RC) highway barriers is a safety-critical engineering task that requires strict compliance with regulatory provisions such as the AASHTO LRFD Bridge Design Specifications. Current engineering practice relies largely on manual, iterative, and experience-driven procedures to satisfy complex material, geometric, and mechanical constraints. Although standalone large language models (LLMs) show strong capabilities in knowledge representation and text generation, their direct use in structural engineering design is limited by hallucination, numerical reasoning errors, and insufficient integration with physics-based analysis. To address these limitations, this study proposes a "generation-validation-modification" closed-loop framework for automated RC barrier design based on the multi-agent orchestration capability of AutoGen. The framework integrates specialized agents for parameter generation, mechanics-based calculation, target-interval evaluation, deviation diagnosis, and rule-based design modification. The multi-agent framework (MAF) was evaluated on three barrier testing levels (TL-3, TL-4, and TL-5) using sixty RC barrier designs with different geometric configurations. Three DeepSeek models with different parameter scales, DS-8B, DS-32B, and DS-671B, were investigated. All designs were evaluated according to Section 13 of the AASHTO LRFD Bridge Design Specifications, 10th Edition (2024). Results show that MAF-DS-8B achieves a target-interval compliance rate of 98.3%, while the best-performing standalone LLM, DS-32B, achieves 11.7%. These results demonstrate that multi-agent architectures can improve the reliability, interpretability, and accessibility of AI-assisted engineering design for practical applications.