Large Language Model-Guided Optimization
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Logic synthesis transforms RTL designs into gate-level netlists, where PPA results are highly sensitive to the choice of optimization commands, making synthesis tuning both high-dimensional and expensive. Previous approaches fall into two categories: automated methods, which perform black-box search over fixed action spaces with limited decision-level interpretability, and LLM-based methods, which typically generate static scripts upfront and cannot adapt to evolving circuit states. We present SynAct, an adaptive closed-loop LLM reasoning--acting agent that iteratively diagnoses live synthesis reports and reasons over the current circuit state, retrieved tool knowledge, and historical optimization experience to issue targeted commands. SynAct focuses on improving timing, particularly worst negative slack (WNS), while maintaining balanced area and power trade-offs. Experiments on a commercial synthesis tool across 14 designs show that SynAct reduces average WNS to 27% of that from bootstrap synthesis.
-MemEvo: Adaptive Cross-Task Memory Transfer for LLM Program Evolution
LLM-based program evolution systems such as FunSearch and AlphaEvolve have shown strong ability to discover novel algorithms, but typically optimize each task in isolation, discarding search experience after completion. We introduce -MemEvo, a framework for cross-task knowledge transfer in LLM program evolution. -MemEvo stores prior experience as task-agnostic tactic memories: compact natural-language summaries of successful algorithmic strategies rather than raw code, enabling transfer across tasks with different APIs and evaluators. To avoid negative transfer from semantically mismatched memories, -MemEvo uses an adaptive injection gate that decides whether retrieved memories should be injected, and at what intensity. We evaluate -MemEvo on 8 diverse optimization benchmarks spanning mathematical optimization and systems engineering, using a content-level Leave-One-Out protocol that excludes target-task memory entries. On the primary GPT-5 backbone, -MemEvo improves AUCC over AdaEvolve on all 8 tasks, with a mean relative gain of +8.7%, and improves early-stage convergence by +9.4% on average. Ablations show that naive memory injection can fail catastrophically, while adaptive gating remains safe across all five ablation tasks. The data-updated posterior is interpretable in observed states: it favors skip during improving search and shifts from skip to hint across early and late plateaus. These gains incur less than 1% computational overhead.
EvoMem: Memory-Augmented Evolution for Code Optimization
Successful mutation strategies in evolutionary code search may contain reusable knowledge that is useful beyond a single run, and in some cases may transfer across related tasks and domains. However, existing LLM-driven evolutionary frameworks largely discard such knowledge, repeatedly rediscovering similar ideas and limiting opportunities for cross-run and cross-task learning. We introduce EvoMem, a persistent memory architecture for LLM-based evolutionary program search that captures and reuses candidate mutation knowledge. EvoMem converts successful mutation events into structured, task-aware advice for future runs. It operates in two phases: after each run, it extracts and stores promising ideas with provenance, and during subsequent evolution, it retrieves a small set of relevant instructions based on the current task and program context to guide mutation. Across geometric optimization, multi-hop question answering, GPU kernel optimization, and related benchmarks, our experiments show positive average improvements in target metrics or search speed for most evaluated settings, while also revealing variability across tasks. Overall, EvoMem provides evidence that persistent memory can reduce some redundant exploration and improve the reuse and adaptation of successful strategies in LLM-driven evolutionary search.
Optimize Cheap, Deploy Strong: Cost-Aware Cross-Tier Transfer for Evolutionary Optimization
Evolutionary optimization of LLM prompts and agentic programs (e.g., GEPA) is dominated by fitness evaluation: scoring each candidate runs an answering LLM over a validation set, so the evaluator's price tier dictates total search cost. We restructure that search by decoupling the three roles an LLM plays, running the high-volume answering role on the cheapest tier, reserving a strong model for the rare reflection/variation operator, then exploiting upward cross-tier transfer to deploy the cheaply evolved prompt on a stronger target. We contribute a cost-controlled characterization of when cheap-tier search substitutes for target-tier search, and where it fails. Across four tasks (HotpotQA, IFBench, LiveBench-Math, HoVer) and eleven models in four model families, the resulting prompt matches or exceeds same-tier optimization while placing over 96% of search tokens on the cheapest tier, at 5.6-14x lower search cost, rising to 25-54x where reasoning tiers emit long chains of thought on every fitness call.
RLMOpt: Adaptive Prompt Optimization via Recursive Language Models
Prompt optimizers automate the search for prompts that improve language-model performance, but existing methods rely on a predefined optimization procedure: the algorithm determines which candidates to explore and how the search progresses, while the language model generates or refines prompt proposals. We introduce RLMOpt, a prompt optimizer that makes the search policy itself language-model-driven through a recursive language model (RLM). The RLM agent operates over a tool-based environment, inspecting task information, analyzing failures, generating candidates, allocating evaluation budget, and deciding when to stop. A deterministic harness complements the agent by enforcing objective scoring, Pareto-based selection, and regression constraints. We evaluate RLMOpt across four benchmarks spanning structured clinical information extraction (Chia), multi-hop question answering (HotpotQA), verifiable instruction following (IFBench-2025), and multi-turn tool-calling agents (BFCL). In a matched comparison at a single seed, RLMOpt obtains the best held-out score on all four benchmarks and leads the four-task mean (0.610 against 0.589 for GEPA). Repeating each benchmark across seeds yields 11 matched benchmark-seed comparisons, in which RLMOpt outperforms GEPA in 9 cases. Across all 11 runs, it never produced a prompt that underperformed its seed, whereas GEPA fell below its starting point twice. It is also more efficient, achieving these results with fewer search rollouts while producing prompts that are 27-79% the size of those produced by GEPA. Our results further show that optimization gains are determined primarily by the headroom available in the seed prompt, rather than by the search budget. Efficient optimization therefore depends on reaching the available headroom reliably and with minimal search
ELMER: Evolutionary Language Model that Explores and Refines
Program evolution can measure whether a mutation helped, but it rarely controls how far the mutation moves in behavior space. Syntactic edit size is an unreliable proxy: a small code change can alter nearly every action, while a larger rewrite can preserve the same execution trace. We introduce an Evolutionary Language Model that searches over natural-language policy descriptions and compiles typed programs for execution. A fully fine-tuned Qwen3-8B model learns three task-conditioned operations: conditional semantic mutation, natural language to domain-specific language (GPTL) compilation, and GPTL to natural language translation. The model is fine-tuned with conditional input on the mutation strength (low, medium, high) using Direct Preference Optimization (oDPO). Across 252 fixed-budget evolutionary searches, oDPO improves both behavioral calibration and finite-budget search efficiency. Natural-language attains the highest observed held-out fitness. Our analysis shows that the condition input (mutation strength) systematically changes semantic edit composition and that language mutations preserve more parent fitness at matched small-to-moderate behavioral displacement. These results show that language can serve as a steerable, execution-grounded search representation over executable program space.
Rethinking Self-Evolving Agents: Do We Still Need Prescribed Optimization Pipelines?
Self-evolving agents are usually built around prescribed optimization pipelines: the framework decides how to gather evidence, revise a persistent artifact, select candidates, and stop. We ask whether this task-specific procedure remains necessary when a frontier model acts as the optimizer. We introduce Open-Ended Optimization (OEO), which keeps the objective, permitted interactions, resource budget, data boundary, and evaluation fixed while allowing the optimizer to compose the improvement process online. We compare OEO with two complementary prescribed approaches: SkillOpt, a staged pipeline with bounded edits, and GEPA, a reflective evolutionary search. Across 14 head-to-head comparisons over 8 benchmark-target-model settings, GPT-5.5-driven OEO records 12 wins, 1 tie, and 1 narrow loss of 0.21 percentage points. It uses a median 34.3 percent of SkillOpt's configured target-interaction token budget. A one-shot, zero-interaction control shows that the gains are not explained by a single prior-driven rewrite. However, delegation has a capability boundary: SkillOpt outperforms OEO with a medium optimizer, and a weak optimizer cannot operate through the unchanged OEO interface. In the fully instrumented OEO-SkillOpt pair, trajectory analysis further shows that prescription changes how optimization proceeds more consistently than it changes final behavior. Together, these findings recast prescribed pipelines as capability-dependent scaffolding: essential constraints remain external, but a sufficiently capable optimizer can compose the route from measurable feedback to persistent improvement.
LLM-Guided Heuristic Design from Simulation Traces: A Case Study in Dynamic Production and AGV Scheduling
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.
Gaming Without an Attacker: Benchmark Fingerprinting in LLM-Driven Search Under Selection Pressure
Benchmarks for systems that are optimized against the evaluation signal measure something different from what they claim. We document this concretely in two GPU-kernel-optimization suites with held-out generalization gates: Metal-Sci (10 scientific-compute tasks) and Metal-ZK (12 zero-knowledge/cryptographic tasks), in which three frontier LLMs (Opus 4.7, Gemini 3.1 Pro, GPT-5.5) propose Metal kernels inside a evolutionary loop with rich feedback. Although no model is prompted to act adversarially, the promoted winners repeatedly fingerprint the evaluation configuration: they branch on the identity of runtime parameters, tune the measured branch maximally, and leave the unmeasured branch slow or silently wrong. Across the pooled suites, () of in-distribution wins fail to transfer to held-out configurations. We give a four-mode taxonomy of these failures, from configuration fingerprints to gate leakage. We distill design guidance for measurement under strategic optimization: held-out probes retain validity only on non-enumerable axes; gates must measure held-out performance, not just correctness; and a transfer rate is interpretable only with per-failure mechanism grades: ours decomposes into gamed, overfit, and benign. Code and research artifacts: https://github.com/vicgalle/kernel-fingerprinting
Janus: An Algorithm-Evaluator Co-Evolution Framework for LLM-Driven Discovery under Expensive Evaluation Budgets
LLM-driven program discovery relies on rapid evaluator feedback, but many scientific and engineering tasks require high-fidelity simulations, hardware execution, or physical experiments, making each evaluation expensive. Cheap surrogate evaluators can reduce this cost, yet fixed surrogates are vulnerable to search-induced distribution shift and are difficult to fit reliably from sparse, search-biased labels. We introduce Janus, a framework that uses LLMs to co-evolve target programs and executable proxy evaluators. To address label scarcity, Janus leverages domain knowledge encoded in LLMs to generate task-specific evaluator programs and calibrates them using real outcomes. To mitigate distribution shift, Janus evolves evaluators alongside target programs, selects them using a promotion-aligned objective, and maintains region-conditioned portfolios with online credit updates. Because proxy predictions remain fallible, Janus uses them only to prioritize candidates and requires real validation before candidates can enter the target-program population or update the incumbent. Across five scientific and engineering design tasks, Janus achieves a larger area under the best-so-far improvement curve over the real-evaluation budget and higher final performance than a matched baseline that evolves only target programs. On average, Janus reaches 99/% of the baseline's final improvement with 59.1/% fewer real evaluations. Evolved proxy evaluators also rank promising candidates more accurately than their seed versions. Together, these results extend evaluator-guided LLM discovery from tasks with cheap, scalable feedback to scientific domains where trustworthy evaluation is scarce and expensive.
A Hybrid Nested Harness for Decoupling Structure and Parameters in LLM-Driven Optimization
In evolutionary algorithms powered by language models, the LLM acts as a single operator that simultaneously updates structural components (like control flow) and continuous parameters. While LLMs can be good at the first, they are not efficient at the second, wasting tokens taking discrete jumps inside a trial and error loop. We resolve this by formalizing a hybrid nested search, in which an outer loop has the LLM propose a structural sketch, with numeric gaps, and an inner numerical optimizer tunes the sketch. Both the outer and inner solvers are pluggable: any text-based optimizer can be combined with a zero-order optimizer (CMA-ES), gradient-based routines, or MCMC samplers. We validate our framework across three scientific domains: (i) meta-optimizers on closed-form test functions, (ii) code-based policies for systems research and social dilemmas; and (iii) approximate Bayesian inference tasks. Across all three, the hybrid optimizer is superior to both vanilla LLM-driven search and pure numerical optimization baselines. Code at: https://github.com/vicgalle/hybrid-nested-search
Improving Constraint Models with LLM Agents
The runtime of Constraint Programming (CP) solvers is highly sensitive to modeling choices, such as symmetry breaking, implied constraints, global constraints, constraint reformulation, and variable representation. Improving these constraint models has traditionally required human expertise, and existing automated reformulation systems are restricted to a predefined library of hand-crafted transformation rules. We introduce an agentic framework that instead reformulates a constraint model from an open-ended space and establishes correctness empirically rather than by construction: a Large Language Model (LLM) agent, given a model and three training instances, proposes alternative formulations, validates each by injecting its solution back into the original model, and diagnoses and repairs failures, returning the best variant it finds in a median of about fifteen minutes. The models are expressed in the CPMpy modeling library, and each proposed model is evaluated on three larger test instances. Across nine combinatorial optimization problems, the generated models outperform the originals on 21 of 27 test instances, and on some problems solve more than two orders of magnitude faster. A comparison against non-agentic baselines that reuse the same validation and selection tools indicates that the gains stem from the agent's iterative diagnosis and repair, not merely from sampling several candidates. These results demonstrate that autonomous agentic methods can support the improvement of constraint models.
Effect of Abstractions and Prompting Strategies on LLM-Guided High-Performance Optimizations
Code performance optimization is a vital aspect of modern software development, as it enables faster response times and reduced resource usage. These optimizations require a deep understanding of low-level hardware details and the intricacies of parallel processing, making them challenging even for experienced developers. With the advent of Large Language Models (LLMs), which are increasingly capable of generating and understanding code, there is growing interest in incorporating these models into automated code optimization processes. Traditionally, this automation involves transcribing the source code into a domain-specific representation that can be auto-tuned using grid search or machine learning algorithms, while adhering to strict rules and a limited set of feasible transformations to ensure verifiability. LLMs incorporate high-level code semantics and can thus perform transformations that go beyond verifiable automated optimizations. This paper investigates whether the traditional abstractions used in automated code optimization improve the performance and correctness of LLM-guided optimizations of parallel HPC applications. We evaluate this using the PolyBench benchmark suite and demonstrate that, in our evaluated setting, LLMs provided with specific optimization goals achieve better measured performance and validity rates when generating C code compared to creating computation pipelines and optimization schedules with established frameworks, suggesting that future development should explore alternative approaches for verifiable LLM-guided code optimization.
PACE: Primitive-Aware Code Evolution for Automated Algorithm Design
Large Language Model (LLM)-based automated algorithm design typically evolves algorithms as complete, indivisible programs. While this whole-program perspective simplifies the search space, it fundamentally couples the useful local logic to its host program. Consequently, valuable code snippets vanish when the overall program is discarded, making it highly difficult to assess the contribution of individual algorithmic components.To address this, we propose Primitive-Aware Code Evolution (PACE), which decouples local logic from complete programs by representing it as persistent units called Executable Algorithmic Primitives (EAPs). To enable code-level transfer, PACE maintains a dynamic set of EAPs. Algorithm evolution is driven by primitive-aware operators that structurally guarantee the retention and cross-program transfer of these components. To evaluate them effectively, PACE leverages Thompson sampling based on parent-relative performance improvements, guiding primitive selection from the set without requiring extra evaluation datasets. Experiments on four tasks demonstrate that PACE effectively discovers competitive algorithms while structurally preserving valuable algorithmic components.
Not All Problems Are Best Modeled as MILP: A DSL-Centric Framework for Flexible and Accurate Optimization Modeling
Solving combinatorial optimization problems (COPs) requires not only efficient algorithms but also carefully crafted formulations. While recent works have leveraged LLMs to automate optimization modeling, current frameworks predominantly rely on a rigid mixed-integer linear programming (MILP) paradigm. In this paper, we argue that not all problems are best modeled as MILP, as forcing complex domains into linear constraints can induce prohibitive modeling complexity and severely restrict solver flexibility. To address this, we propose OptiDSL, a framework that shifts the focus from rigid MILP formulations to domain-specific language (DSL) representations. By utilizing LLMs to map natural language onto standardized, domain-accepted structures, OptiDSL decouples problem formulation from execution. This paradigm enables seamless integration with a diverse library of specialized solvers, ranging from traditional heuristics to modern learning-based methods. Experimental results on the comprehensive benchmark of 44 COP types show that OptiDSL significantly surpasses MILP-based pipelines, yielding a 51.66% gain in formulation accuracy and a 91.71% decrease in modeling time. Notably, it also outperforms MILP-based pipelines on the existing benchmark, achieving a 23.09% higher formulation accuracy. Our code is available at https://anonymous.4open.science/r/OptiDSL.
CEDAR: Agent-Orchestrated Tree Search for Goal-Directed Optimization of Complex Systems
Complex systems, core objects of study in artificial life, model diverse phenomena through nonlinear, feedback-driven interactions that produce emergent behavior, with applications from population dynamics and biology to economic policy and strategic decision-making. Yet the difficulty of predicting how feedback structure gives rise to emergent behavior, a central open problem in artificial life, makes goal-directed design exceptionally challenging. In established practice, system structures are written in specialized modeling languages such as DYNAMO or STELLA, compounding the challenge with labor-intensive workflows that limit adoption and hinder timely decision-making. To address these challenges, we introduce CEDAR, an autonomous method that uses Large Language Model (LLM) agents to discover complex systems satisfying user-specified behavioral goals. Our key innovation is an LLM-driven Monte Carlo Tree Search (MCTS) deeply coupled with complex systems: at each iteration, an LLM Judge evaluates emergent behavior against specified goals and an LLM Editor proposes improved variants, with the Judge acting as a fitness function and the Editor as a variation operator, akin to a generate-and-evaluate loop in evolutionary computation. We represent complex systems as a restricted, runnable subset of Python with domain-specific primitives, letting LLMs modify system dynamics directly. CEDAR formalizes this as an MCTS variant with an LLM-parameterized transition kernel and value function, enabling goal-directed discovery of complex system behaviors while preserving solution diversity, and its LLM-based interpretability reveals how structural changes drive emergent behavior. CEDAR reduces human effort while enabling capabilities difficult to achieve with existing approaches, facilitating broader adoption of complex systems across domains.
Evolving Parallel Algorithm Portfolios via Potential-Aware Instance Generation with LLMs
The Automatic Construction of Portfolios via Large Language Models (LLM-ACP) suffers from poor generalization in practical few-shot scenarios when solving complex combinatorial optimization problems. Instance and algorithm co-evolution frameworks address this by expanding the training dataset with generated hard instances on which the current algorithm portfolio underperforms, thereby enhancing generalization. However, this paradigm faces two critical limitations: evaluating instance hardness relies on high-quality reference solutions, and single-mode generation patterns limit instance diversity. To overcome these limitations, we introduce the Potential-aware Instance and Algorithm Co-evolution (PIAC) framework. Our core contribution is twofold. First, we propose potential gain, a novel metric that eliminates the need for reference solutions. This metric estimates generalization gain by perturbing the generated algorithms and assessing their improvement potential on generated problem instances. Second, PIAC leverages LLMs to synthesize diverse instance mutators, exploring a broader region of the problem-instance space and thereby enhancing the portfolio's generalization capabilities. Given that perturbation spaces vary across different algorithms, we instantiate our framework on Greedy Constructive, Ant Colony Optimization, and Guided Local Search algorithmic backbones. Comprehensive evaluations on the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) across six distinct data distributions demonstrate that PIAC consistently outperforms state-of-the-art LLM-ACP baselines, notably achieving a 19.76% relative improvement for TSP Greedy Constructive portfolios.
HLSmith: An Expert-Guided Agentic Framework for C/C++-to-HLS Translation
Application-specific FPGA accelerators offer substantial performance and energy-efficiency gains across many application domains, but developing them is costly, often requiring months of specialized effort. Even with high-level synthesis (HLS), designers still need extensive hardware expertise to build high-performance accelerators. Although large language models (LLMs) have demonstrated strong software-generation capabilities, even frontier models lack the hardware intuition and procedural knowledge needed to reliably translate baseline C/C++ programs into high-performance HLS designs: they struggle to identify effective architectures, follow the optimization processes used by HLS experts, and apply hardware transformations consistently across diverse kernels. We present HLSmith, an expert-guided framework for translating C/C++ programs into optimized HLS accelerators. HLSmith combines three components: an HLS optimization expertise library that encodes guarded transformation recipes, their applicability and prerequisite conditions, and unsafe cases to avoid; a staged, feedback-driven orchestration flow modeled on expert HLS development practice that guides agents through synthesis, bottleneck analysis, and optimization; and a tool-grounded model-adaptation pipeline that converts optimization trajectories from commercial frontier models into training data for fine-tuning open-weight LLMs. We evaluate HLSmith on PolyBench against ChatHLS, a leading prior agent-orchestration framework for HLS accelerator development. HLSmith achieves a geometric mean speedup of 4.24x over ChatHLS while producing functionally correct designs, in both software and RTL simulation, for every benchmark, compared with ChatHLS's 57% valid-design rate. It further reaches speedups of up to 252x and 138x with commercial frontier models and open-weight models, respectively.
Progressive Content Refinement with Decaying Reward Joint LinUCB
Iterative refinement has significantly enhanced Large Language Model (LLM) performance; however, existing methods ranging from feedback-based Self-Refine to traditional bandit approaches often rely on static options or overlook the saturation effect. This neglect leads to over-exploitation, where the continuous use of identical prompts or arms results in diminishing rewards over time. To address this challenge, we propose a novel contextual bandit algorithm that explicitly incorporates reward decay modeling. Utilizing an Expectation-Maximization (EM) algorithm, our method simultaneously estimates both arm-specific and decay parameters. Furthermore, by embedding prompts as arms, we facilitate the joint learning of arm values, distinguishing our approach from the traditional disjoint Linear Upper Confidence Bound (LinUCB) framework. Experimental results on Sentiment Reversal and GSM8K benchmarks demonstrate that our method achieves significant performance gains over strong baselines. Finally, our ablation study confirms that the integration of reward decay modeling within the bandit framework is crucial for mitigating over-exploitation and optimizing the iterative refinement process.
The Optimizer Is the Agent: Reasoning-Driven Search across Prompts, Programs, and ML Workflows
Recent systems for optimizing prompts, programs, and ML workflows typically rely on explicit outer-loop controllers such as evolutionary search, bandits, or textual-gradient methods. We ask a fundamentally different question: how much of this search policy can be internalized by a single tool-using agent? We present ReASearch, a unified framework for reasoning-driven optimization in which the agent autonomously decides what to evaluate, how to diagnose failures, which edits to make, and when to verify or restart. Rather than serving only as a proposal generator guided by hand-designed heuristics, the agent actively analyzes outcomes, allocates budget, and refines its strategy over long horizons through persistent memory. With a shared agent loop and domain-specific tools, ReASearch instantiates the exact same scaffold to optimize prompts, programs, and ML workflows. Across 14 diverse tasks, it is competitive with and mostly better than specialized optimization systems, achieving gains of 2% to 40% over strong domain-specific baselines, and in some cases discovering solutions that improve on prior human best-known results. Crucially, we observe that complex search behaviors, which are typically implemented by explicit controllers, emerge naturally from the agent's reasoning process.
HarnessOpt-Bench: Evaluating LLMs at Harness Optimization
As LLMs are increasingly deployed within agentic systems, their capabilities depend not only on the model weights but also on the harness: the prompts, tools, control flow, memory, and orchestration code surrounding them. This makes automated harness optimization -- the iterative and evaluation-guided improvement of a harness by an AI system -- both an important route to improving AI systems and a demanding capability for AI systems themselves. Yet the community lacks a common protocol for measuring how well frontier LLMs perform at this task. We introduce HarnessOpt-Bench, a benchmark for end-to-end harness optimization under expensive and stochastic evaluation. An optimizer, an LLM paired with a coding harness, receives a target agent's seed harness, graded evaluation feedback, and a fixed target-evaluation budget. It edits the harness and nominates a final candidate, which is scored by its normalized gain over the seed on a held-out test partition that remains inaccessible throughout search. A trusted execution environment enforces the evaluation boundary, meters target-agent resource use, and preserves candidate versions for audit. We evaluate 5 frontier LLMs as optimizers both under a shared coding harness and under their native harnesses across 4 downstream tasks, over 111 scored runs. Experiment results show that optimizer models separate more than the coding harnesses they act through, native harnesses are not consistently superior, and gains vary substantially across tasks and seed regimes. These results establish harness optimization as a measurable and discriminative capability with large space for improvement.
MicroEvo: Knowledge-Guided LLM Sampling for Efficient Microarchitecture Design Space Exploration
Microarchitecture design space exploration suffers from expansive search spaces and expensive PPA evaluation, leaving only a small simulation budget for design decision-making. Existing methods perform blind search without considering microarchitectural dependencies and fail to learn from the iterative search effectively, leading to wasted evaluations and weak Pareto convergence. In this paper, we propose MicroEvo, a knowledge-guided framework that couples off-the-shelf LLMs with Monte Carlo Tree Search (MCTS) for multi-objective microarchitecture optimization. MicroEvo combines LLM-driven evolutionary operators, a Pareto-aware tree policy that balances Pareto contribution and diversity, an active knowledge accumulation mechanism that extracts and reuses optimization insights, and state-aware directives that adapt the search behavior online. Experiments show that MicroEvo improves Pareto-front quality by up to 36.2% over NSGA-II and achieves 10.6x higher search efficiency, and also demonstrates strong scalability to a complex industrial-scale core. The code repository is available at: https://github.com/GEAR-SEU/MicroEvo-ICCAD-26.
Relay, Don't Route: Adaptive Population Handoff for Cost-Efficient LLM-Driven Evolution
Large language model (LLM)-driven evolution has shown promise for program search and algorithm discovery, but relying on strong models throughout long evolutionary runs is costly. A natural alternative is to combine cheap and strong models under a fixed inference budget. However, existing approaches typically allocate models at the level of individual queries or mutation steps, overlooking that evolutionary search is \textit{stateful}: each generated candidate changes the population from which subsequent mutations are produced. We empirically analyze LLM-driven evolutionary trajectories and find that search progress is strongly front-loaded, early trajectory performance is informative but noisy, and cheap models recover much of the early progress achieved by strong models at lower cost. Motivated by these findings, we propose \textbf{\model}, a training-free framework that shifts budget allocation from individual calls to evolving populations through adaptive \textit{population handoff}. A cheap model explores multiple trajectories in short blocks allocated by a bandit scheduler. Relay Gain, defined as the marginal improvement of a compact, quality-diverse candidate bank constructed for handoff, serves as the scheduler reward and determines when to hand off. The curated candidates initialize a shared strong model population for refinement. Across four benchmarks and three budgets, \model achieves the highest mean score in 11 of 12 settings, outperforming competitive baselines. Our results suggest that in stateful search, budget allocation should be organized around the population, not the individual call.
Improving Auto-Design of Neural PDE Solvers with a Domain-Specific Language
Neural PDE solver auto-design is fundamentally a search-space representation problem. In the space of unrestricted Python programs, valid solvers form an extremely sparse subset: most candidate programs are syntactically incorrect, semantically incompatible, or numerically unstable. Direct code generation therefore forces an LLM to spend most of its search capacity navigating implementation failures rather than reasoning about solver quality. ADSL-PDE addresses this challenge by introducing a structured search state between solver concepts and executable code. It represents the functional decisions that determine a neural PDE solver (architecture, physical constraints, objectives, sampling, and optimization) while abstracting away low-level implementation details. A deterministic compiler maps each valid search state to an executable solver. In effect, ADSL-PDE reshapes the search space: it removes large regions of invalid programs, increases the density of meaningful candidates, and preserves the compositional freedom needed to discover previously unseen designs. Solver evolution can thus operate over design decisions rather than code artifacts. Built on this representation, our evolutionary agent iteratively proposes, evaluates, and refines solver search states using empirical feedback. Across multiple PDE benchmarks, ADSL-PDE improves both search efficiency and optimization stability, achieving an improvement of more than 52% within the first ten evolution iterations. These results suggest a broader principle for LLM-driven auto-design: effective agents do not merely require stronger reasoning, but rather a search representation that concentrates exploration on valid and consequential decisions.
COMPAS: Difficulty-Aware Joint Search for Optimizing Code Generation
Code generation systems make each LLM call with a model, a prompt, and decoding settings. However, existing optimization methods usually tune only part of these choices or use one fixed configuration for all tasks: global optimizers search one configuration for all tasks, routers choose only a model, and prompt optimizers keep the model and decoding settings fixed. This leaves their joint, group-specific interactions unclear. We therefore examine how these choices interact and observe that prompts and decoding settings interact, tuning effects vary by model, and the best configuration varies by task difficulty. Guided by these observations, we introduce COMPAS (Code-generation Optimization over Models, Prompts, And Decoding Settings), a difficulty-aware method that learns group-specific quality-cost fronts through low-cost model selection and joint prompt-decoding search, then routes each test task to its matching front online without further search. Under a matched search budget on LiveCodeBench, COMPAS improves pass@1 from 45.9% for the best baseline to 52.8% while reducing cost from 4.92. This also transfers to repository-level code generation on SWE-bench, resolving 76.0% of tasks versus 70.0% for the best baseline. Code and the reproducibility artifact are available at https://github.com/gjz78910/COMPAS.
Can Large Language Models Recover Semantic Optimization Opportunities That Compilers Miss?
Optimizing compilers miss profitable transformations when their enabling semantics are absent from the analyzed program representation. We ask whether large language models (LLMs) can recover such semantics from heterogeneous C/C++ context and realize them as validated, contract-preserving artifacts. We introduce SeGaBench, an executable benchmark containing 100 synthetic and 20 source-backed cases spanning low-level assumptions, data-structure invariants, and high-level semantic lifting. Each case includes hidden enabling semantics, an oracle artifact, correctness and semantic validators, and a reproducible performance protocol. We evaluate five LLMs using five independent responses per case. The strongest model produces correct artifacts in 94.8% of responses, achieves at least 1.05x speedup in 83.3%, and obtains a performance success on 93.3% of cases. Nevertheless, correct artifacts often close only part of the oracle gap. These results show that LLMs can complement compiler analysis as speculative semantic proposers, provided that their artifacts are validated and evaluated.
MuEvo: LLM-Driven Evolution of Multi-Heuristic Ensemble
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.
Large language models for partial differential equation workflows
Partial differential equations (PDEs) become actionable in science and engineering not as isolated formulae, but as executable workflows that connect modelling assumptions, governing equations, numerical solvers, diagnostics, and decisions. Large language models (LLMs) are beginning to support such workflows by linking natural language, symbolic mathematics, code, solver outputs, and feedback. Here we examine recent advances in LLM-assisted PDE research across three stages: the discovery and formulation of governing models, the generation and revision of executable numerical solvers, and the use of simulation feedback to support control, design, and optimization. Across these stages, current systems act primarily as workflow-level interfaces. Despite this progress, the field remains limited by the scarcity of high-quality datasets and benchmarks, especially for knowledge discovery and real-world applications, where expert annotation, executable problem construction, and task-level feedback require substantial domain effort. A further challenge is the persistent gap between simulation-based results and real-world scientific and engineering systems, which limits the direct transfer of numerical simulations, control policies, and optimized designs to practical settings. These challenges make LLM-assisted PDE workflows a critical testbed for developing scientific AI systems that can connect language, computation, physical constraints, and real-world decision-making.
Beyond Average Performance: Dynamic Instance Clustering and Specialized Algorithm Design in LLM-Assisted Evolutionary Search
Large Language Model-assisted Evolutionary Search (LES) has emerged as a powerful paradigm for automated algorithm design. However, existing LES methods primarily optimize for average performance, inherently directing search effort toward instances that contribute most to this metric while leaving others poorly served, resulting in weak tail robustness and limited real-world reliability. To address this limitation, we propose Dynamic Instance Clustering and Specialized Algorithm Design (DyCA), an LES framework with a feature-free, structure-aware mechanism for constructing reliable algorithm portfolios under heterogeneous instance distributions. DyCA treats instance clustering as a co-evolving component within the search process, reusing accumulated evaluation data as feature-free signals to progressively partition instances with similar algorithmic response patterns. The uncovered clusters decompose the mixed objective into a set of structure-aware sub-objectives, thereby enabling finer-grained and more adaptive guidance for specialized algorithm design. Experimental results across four algorithm design tasks with heterogeneous instances demonstrate that DyCA outperforms state-of-the-art LES baselines, improving tail robustness by an average of 15.2% and overall performance by 7.1% while maintaining competitive head performance.
FLARE: Few-shot Learning-based Adaptive Reflective Engine
Large language models (LLMs) are increasingly deployed in complex, compound AI systems where performance hinges on the quality of prompts. Recent state-of-the-art optimizers like GEPA (Genetic-Pareto) have argued that reflective instruction evolution can outperform traditional reinforcement learning and few-shot optimization. In this work, we challenge this shift by introducing FLARE (Few-shot Learning-based Adaptive Reflective Engine), a framework that leverages advanced reflective mechanisms and a small set of few-shot reference examples to optimize instructions. We evaluate our method across a diverse suite of benchmarks -- spanning retrieval-augmented reasoning (HotPotQA, MedQA, 2WikiMultiHopQA), tool calling, and multi-label emotion classification (GoEmotions) -- using the GPT-5 series of models. Our results demonstrate that FLARE consistently outperforms GEPA, winning on every task-model pair: it achieves gains of up to +14.2 points on HotPotQA (52.2 vs. GEPA's 42.2 with GPT-5-Chat), reaches 87.0% on tool calling (vs. 81.0% for GEPA), and lifts GoEmotions micro-F1 to 52.7% (+15.3) with GPT-5.1 on the full 5408-example test split, more than doubling GEPA's +5.7 gain. Beyond raw accuracy, FLARE is also strikingly data-efficient: on GoEmotions it reaches its peak performance using as few as 100 validation examples, while remaining markedly more stable across random seeds than GEPA. Our findings suggest that while reflective instructions are powerful, the strategic optimization of few-shot learning remains a critical frontier for maximizing the potential of next-generation LLMs.