Large Language Model-Guided Optimization

Industrial risk-control systems typically rely on structured-data models for efficient prediction, yet substantial valuable information remains embedded in unstructured long text. Extracting this information through manual feature engineering is labor-intensive, while requiring a large language model (LLM) to process every real-time input may not meet practical deployment requirements. To address this challenge, we propose LLM-BlockFE, an LLM-guided offline feature construction framework that converts long text into executable feature programs, thereby avoiding LLM calls during online inference. LLM-BlockFE constructs feature programs by incrementally appending immutable code blocks and evaluates candidate features using a downstream model. To address the tendency of conventional greedy search to become trapped in suboptimal solutions, our method introduces a block-level rollback mechanism based on depth-calibrated credit allocation and advances multiple independent search trajectories in an interleaved manner, reducing redundant exploration by sharing fixed descriptions of each trajectory's exploration direction. After the search, the resulting programs are frozen and deployed to extract structured features for downstream prediction models. Across two public and two private datasets, LLM-BlockFE achieves absolute AUC improvements of 0.0069 to 0.0358 over the strongest baseline on each dataset in the full-dataset comparison. Post-launch monitoring across five deployed financial risk-control applications shows absolute KS improvements of 0.02 to 1.56 percentage points over the existing manually designed strategy.

LLM-based program evolution relies on evaluation feedback to guide the iterative search for high-performing programs. However, evaluation is often computationally expensive, making it essential to allocate limited resources to candidates that can most effectively advance the search. Existing LLM-based methods typically rely on fixed allocation strategies throughout the search, potentially wasting resources on low-value candidates while overlooking promising ones. We propose EvoAlloc, a self-evolving resource-allocation agent that learns from search experience to revise its strategy for allocating computational resources across candidates. EvoAlloc periodically consolidates prior search and allocation outcomes into reusable experience, which informs subsequent strategy revisions. It further uses a counterfactual exploration mechanism to occasionally evaluate candidates denied resources by the allocator, revealing their outcomes to enrich its experience for future strategy updates. Across coding and agent-harness optimization benchmarks, EvoAlloc requires 59-82% fewer full evaluations and 61-89% fewer total LLM tokens to reach baseline-level performance. Moreover, under the same full-evaluation budget, EvoAlloc achieves 8.7-12.0% higher final performance.

This paper investigates AutoResearch, a protocol in which a coding language model edits a training program under a one-hour GPU budget and retains a change only if validation IoU improves. The protocol is applied to photovoltaic panel segmentation on a frozen real-image split, with DeepLabV3--ResNet-50 held fixed. Three campaigns of 24 experiments, using Gemma~4 12B, Qwen3-8B all improve their one-hour baselines, but retained modifications do not transfer across hardware. The Qwen3-8B configuration, trained on real images only, reaches a test IoU of 0.836 versus 0.833 for the reference GAN-augmented schedule. Research repository https://github.com/VU-AIML/automl4eo-autoresearch-segmentation.

Fluid antenna systems (FASs) offer significant spatial flexibility, yet securing them against eavesdropping is critical for practical FAS deployment in military, satellite, and internet-of-things networks. Although large language model (LLM)-assisted genetic algorithms (LLM-GAs) can address this secure FAS port selection problem, whether further algorithmic improvement is possible warrants deeper investigation. To this end, we propose a memetic algorithm based on reflective evolution (ReEvo). Unlike the state-of-the-art LLM-GAs, which design only crossover or mutation operators with an LLM, our algorithm leverages an LLM to evolve dedicated crossover, mutation, and local-search operators offline. These operators are then embedded into a memetic search framework, thereby obviating any online LLM queries during execution. Simulation results at equal generation counts demonstrate that our proposed algorithm achieves a higher secure sum-rate than the conventional GA and the state-of-the-art LLM-GAs.

Many annotation projects begin before experts have a stable guideline or enough labels to train a task-specific model. We present Goldsmith, an agentic pipeline that turns a small gold set---expert-annotated calibration examples representing the intended task boundaries---into a reusable structured annotation definition. Goldsmith treats this definition as a trainable textual object. Candidate definitions are run on the same gold examples and scored with an executable structured loss, while the output schema, formatting, retrieval, repair, judging, and human review remain in an external harness. A large language model (LLM) editor converts the highest-loss failures into textual-gradient revisions, which are accepted only when the measured loss decreases. In prompt-optimization comparisons, Goldsmith improves over direct rewriting, OPRO, APE, and PromptBreeder under matched evaluation protocols. The resulting definition also improves downstream annotation when combined with retrieval, score-based routing, and human review across typed span, pair-level relation, and fixed-trigger event-argument tasks. These results show that scarce expert supervision can support both task-definition learning and scalable annotation.

LLM-guided program evolution has enabled discoveries in mathematics and computational optimization, raising the prospect of reinforcement learning (RL) algorithms that self-evolve to improve how agents learn. However, realizing this prospect faces two obstacles. Joint search over coupled algorithmic components is difficult to scale: simultaneous changes can disrupt learning, while isolated changes overlook their dependencies. Evaluating candidate algorithms also requires costly training, with fitness remaining uncertain across random seeds. We introduce RLDiscover, a framework for the self-evolution of model-free deep RL algorithms. Progressive Co-Evolution advances from targeted component edits to joint evolution, while Progressive Probabilistic Evaluation balances search breadth and evaluation fidelity through staged training and repeated evaluation. Experiments across SAC, PPO, and DQN on four benchmark suites show substantial improvements in mean return, with per-family median gains of 32%-84% and a peak return ratio of approximately 363x over a near-zero baseline. These gains include transitions from failed learning to successful task completion, and improvements persist when evolution starts from stronger open-source implementations. On measured SAC locomotion runs, evaluation uses approximately one-fifteenth the estimated compute required to fully evaluate the same candidate pool. Remarkably, independent searches repeatedly discover interpretable combinations of adaptive robust losses, progress-dependent value targets, and running statistics, with selected programs transferring to unseen tasks. These findings point toward a broader role for self-evolution in AI: discovering interpretable algorithms that improve how agents learn.

Agent evolvers automate the design of the prompts, skills and workflows around language model agents, yet the optimization process they follow is still designed by hand: a fixed search loop decides how candidates are evaluated, which are kept and when the search stops. We propose FREEEVOLVE, which automates this process as well. An environment specifies the goal, target agent, evaluator, data and resource limits; within these limits, the evolver itself decides what to test, how much evidence to collect, which candidates to pursue and when to stop. These decisions follow an editable evolution skill, which we improve through meta-evolution by scoring each candidate skill on the fresh target agent it produces. The optimization process thus becomes a capability learned from experience rather than a loop engineered in advance. On tau3-bench, ARC-AGI-2, ARC-AGI-3 and Terminal-Bench 2.1, FREEEVOLVE controls the evolution campaign by itself, yet improves the primary held-out metric by 13.6 points on average and matches or exceeds hand-designed evolvers. The learned process keeps improving with experience: meta-evolved skills add 6.9 points over the seed skill on fresh target agents, demonstrating transferability across environments.

Retrieval-augmented generation (RAG) is a widely used approach for grounding large language models (LLMs) in external knowledge. However, configuring a pipeline is an expensive hyperparameter optimization problem over many interacting choices, from chunking and embedding model to reranking and generation. Existing optimizers, from greedy search to Bayesian optimization, reduce each trial to an aggregate score and search without modeling why a configuration performed as it did, even though the retrieved chunks already provide evidence about whether each failure occurred during retrieval or after it. We introduce Agentic AutoRAG, an LLM-agent optimizer for multi-objective RAG hyperparameter optimization with retrieval-versus-generation failure attribution. It proposes configurations scored on a frozen exam from the corpus: after each trial a Diagnoser attributes each failed question to retrieval or generation, and a Proposer, grounded in a knowledge base of model rankings and pricing, selects the next configuration, weighing accuracy against cost to trace a Pareto frontier. On three multi-hop QA benchmarks it reaches higher LLM-judge accuracy than every baseline we compare, and within its first 10 trials it matches or beats the statistical baselines' full 30-trial judge accuracy. In its cost-aware mode on a real-world healthcare corpus it reaches a median exam accuracy of 77%, above the strongest baseline's 71.5%, at about 58% of that baseline's cost per query, and it matches that 71.5% at about 22% of the cost.

Modern cache replacement designs saturate because they operate within fixed representational structures, hand-crafted and heuristic based feature-engineered predictors, or offline imitation models that cannot generate new decision logic on their own. At the same time, replacement is shaped by the causal interaction of prefetching, thrashing, spatial locality, and access-type behavior, producing an enormous design space that is difficult to traverse manually. Prior approaches typically rely on heuristics, parameter tuning, or imitation of an offline optimal policy, capturing correlations rather than synthesizing new mechanisms. As a result, their performance gains often plateau and they overfit under dynamic workload conditions. CACHEFORGE is the first framework to evolve cache-replacement policies end-to-end by embedding a large language model inside a governed hardware-aware loop. In each iteration, the LLM proposes new C++ replacement logic, the policy is evaluated under a trace-based CRC-2 ChampSim simulator, and the framework enforces feasibility through reward shaping, structural checks, dynamic mutation, temperature scheduling, and cross-policy crossover. This closed-loop generation-evolution loop specifically designed for cache replacement policy enables the discovery of compact policies that satisfy hardware constraints while exploring algorithmic transformations beyond fixed predictor structures. Across SPEC CPU2006, CACHEFORGE outperforms all CRC-2 baselines. It improves the total hit rate by 27.36%, 19.69%, 13.72%, 13.15%, 11.83%, and 5.73% over MPPPB, ReD, Hawk-eye, SHiP++, LIME, and LRU, respectively. On memory-intensive workloads, it increases IPC by 10.15%, 7.89%, 6.34%, 3.64%, 3.12%, and 2.71% over LRU, MPPPB, LIME, ReD, SHiP++, and Hawkeye.

Open-ended scientific discovery often requires repeatedly proposing and evaluating candidate solutions. LLM-based systems can support this process by generating and refining executable solutions from verifier feedback. Methods such as TTT-Discover use test-time training (TTT) to update the solution-generating LLM from verifier feedback, adapting its generation policy to improve subsequent proposals on the target problem. However, this becomes expensive when reliable execution requires a large model, since training must maintain gradients, optimizer states, and policy statistics while repeatedly generating long, structured outputs. It also complicates credit assignment: outcome-level verifier feedback must jointly evaluate the high-level strategy and its low-level implementation. In this work, we introduce Guidance-TTT, which separates these roles. A compact guidance model is trained at test time to propose high-level strategic changes, while a frozen execution model implements them as complete executable solutions. At each step, the system selects a promising previously discovered solution, proposes a change, executes and verifies it, and updates only the guidance model using an adaptive group-relative RL objective. This concentrates test-time learning on short strategic decisions while retaining the implementation capability of a substantially stronger model without adapting it. Without web access, Guidance-TTT produces strong solutions across four distinct domains: combinatorial optimization (Polyomino Packing), heuristic programming (AHC058), machine learning (Lasso), and GPU kernel optimization (TriMul). Across these tasks, it outperforms the best solutions reported in prior work while remaining competitive with state-of-the-art results on public online leaderboards. Code is available at https://github.com/Human-Agent-Society/reef/tree/guidance-ttt-support.

Token-level differentially private (DP) prompt optimization methods such as DP-OPT can become unstable under tight privacy budgets: on GSM8K, DP-OPT obtains $49.5\pm28.5\%$ across 30 runs, and a logged search trajectory reveals prompt-template drift and noise-sensitive irreversible choices. We diagnose these as structural consequences of greedy token-by-token construction over privately aggregated counts. We then propose DP-ES (Differentially Private Evolution Strategies), a structurally cleaner alternative that maintains a population of full prompts, mutates them via LLM calls that never access the private dataset, and spends privacy only on sampled-Gaussian evaluation; deterministic or Gumbel-smoothed selection is post-processing. Under a conservative $(\varepsilon\leq1.0,δ=10^{-5})$ guarantee, DP-ES achieves 88.1% on GSM8K (+38.6 pp over DP-OPT, approximately 9 times lower standard deviation), 99.7% on MedQA, 73.5% on BANKING77, and 86.8% on Alpaca. It is also 2.5 times faster in wall-clock time and uses 3.3 times fewer logged private-data call groups than DP-OPT. Selection and population ablations, implementation-level noise checks, and a 200-profile exact-match memorization stress test complement the formal guarantee. Scope: Our experiments establish optimization robustness under DP noise, especially where prompt structure is critical; end-to-end validation on genuinely sensitive, non-saturated deployment data remains future work.

Large language models (LLMs) can reason over scientific literature to devise design strategies, yet fail to reliably implement them for biological sequences. While protein generative models learn sequence patterns, they lack the capacity to incorporate literature evidence for multi-step reflective reasoning, forming an evidence-to-execution gap between scientific reasoning and sequence manipulation. We present EASER (Evidence-Aware Sequence Engineering with Reflection), a reflective agent bridging reasoning and sequence generation via a learned property interface of offline-trained, fixed low-rank matrices. The agent steers a diffusion generator by combining these matrices, proposing intervention hypotheses (anchors, editable positions, control coefficients) grounded in retrieved evidence, sequence context and past results. A Probe-and-Steer mechanism validates interventions and allocates samples according to predicted property responses, with outcome reflection informing subsequent decisions. Evaluated on multi-objective antimicrobial peptide design (optimizing activity, non-hemolysis and non-toxicity), explicit hypothesis formulation delivers better multi-objective performance than direct action generation under identical decision conditions. Ablation studies verify the importance of evidence retrieval, episodic history, reflection and Probe-and-Steer. Over six repeated trials, EASER obtains the highest mean hypervolume and lowest mean IGD+ on screened candidates compared with competing baselines. Our work demonstrates how an executable property interface and iterative feedback link scientific reasoning to targeted peptide sequence generation.

LLM-driven evolution enables iterative model development, but two practical goals remain underexplored: finding model designs that transfer across related tasks and sustaining improvement when training is expensive. We introduce Population Evolution (PE), a collaborative, hierarchical framework that connects ongoing local searches through shared experimental evidence. PE evaluates code changes across related training instances and shares the results to guide subsequent proposals and promotion to larger training scales. For expensive targets, PE searches small training subsets and screens candidates through peer and intermediate evaluations before full-target training. We introduce RMD-Bench to evaluate both settings across ranking, watch-time prediction, RL algorithm discovery, and LLM/VLM pretraining. Compared with standalone evolution at matched source iterations, PE raises mean best local gains from 7.01% to 8.97% in ranking and from 2.84% to 3.85% in watch-time, while improving the best larger-scale outcome in all three joint-discovery families. In watch-time discovery, PE improves best larger-scale gains with four of five harnesses and all four proposers. On new recommendation datasets under shared target-side calibration, every evaluated PE design improves over the reference in mean performance. Under matched total GPU compute, completed LLM discovery runs yield a best relative accuracy gain of 2.48% and 13 successful candidates for PE, versus 0.92% and none for direct evolution. VLM loss reduction reaches 8.78% versus 5.05% under matched total GPU compute.

Molecular optimization must improve target activity and satisfy developability constraints within limited evaluation budgets. Classical methods require tailored rules or training to incorporate chemical instructions and property feedback. Frozen language models can condition edits on this information, but need explicit constraint control and relevant experience. We therefore present PharmAgent, a constraint-aware molecular search method driven by adaptive external state. Its Lagrangian controller translates violations in accepted states into accumulated constraint pressure, keeping this history separate from current property measurements. Structure-indexed replay complements this feedback with relevant evaluated transitions that guide subsequent proposals. As a curriculum progressively activates constraints, candidates and the incumbent are compared under the same current objective, and the accepted state determines the next multiplier update. We derive an exact identity that characterizes how accepted-state violations accumulate in the controller's multipliers. Across five tasks with five independent runs, PharmAgent achieves a summed area under the target-score curves (AUC) of 3.9208 in target-only search, improving over MOLLEO by 37.3%. With online constraints, it achieves a property-adjusted AUC of 0.7076, improving over the strongest online baseline, ExLLM, by 53.8%. These results rank first among all evaluated methods in both target-only and constraint-aware search. The online comparison covers all five baseline frameworks. The full system leads every ablation variant in target quality, property-adjusted performance, and Pareto hypervolume. All five molecular cases reach feasible final states, documenting target gains and trade-offs.

Automated agentic workflow optimization relies on costly evaluations, making it essential to allocate a limited evaluation budget effectively. Multi-parent fusion can reuse designs from previously discovered workflows, but identifying promising parent combinations requires learning from limited fusion feedback. We introduce DAGO (Directed Acyclic Graph Optimization), a contextual-bandit-guided framework that learns which parent workflows to fuse under a limited evaluation budget. DAGO formulates each candidate parent combination as an arm, represented by pretrained embeddings of its constituent workflows' code and prompts. A diagonal LinUCB policy learns a shared reward model across arms and balances exploitation of arms with high predicted offspring quality against uncertainty-driven exploration. After an arm is selected, an LLM generates a child workflow through summary-guided fusion, and the child's validation score serves as the reward for updating the bandit. A shared directed acyclic graph maintains discovered workflows and their multi-parent lineage, providing an expanding pool of parents for subsequent arm proposals. Across six benchmarks covering mathematical reasoning, code generation, and question answering, DAGO achieves the highest macro-average score among the evaluated baselines. Under matched validation-evaluation budgets, it improves over AFlow from 80.3 to 81.7 while reducing aggregate search expenditure by 11.2%. Ablation studies show that LinUCB-guided arm selection outperforms both random selection and its exploration-free variant, supporting the value of feedback-driven selection and exploration-exploitation balance.

Sparse-accelerator design spaces are usually searched against analytical models, so a design point is admitted on what a model predicts rather than on what the hardware does. SparseCraft closes that gap with a language model inside a closed CHIA loop. In each of 15 iterations the model reads the measured outcome of the previous one and edits the Chisel RTL, the memory configuration and the sparse-kernel schedule of a Gemmini accelerator through MCP tool servers, and no candidate counts until it has been checked for legality, elaborated, simulated cycle-accurately, checked bit-for-bit on every output against a golden reference, and synthesised. The harness turns each measurement into the next work order, a diagnosed bottleneck with matching strategy guidance, the history of tried designs and a score of the model's own prediction, and a second model repairs changes that fail a gate. On a $512 \times 512$ GraphChallenge sparse-DNN layer the loop reaches 2.1x fewer cycles, 9.8x less off-chip traffic and 22.8% less area than the block-sparse Gemmini baseline, with 5.61x higher modelled perf/W and 11.8x lower EDP. The levers span three layers: a schedule that keeps the dense operand resident removes 9.8x of the traffic, a zero-gated MAC and a zero-row skip unit that the model wrote in Chisel cut energy, and resizing the memories cuts area.

Designing effective heuristics for diverse combinatorial optimization problems requires substantial expertise and repeated search. Large language models (LLMs) automate heuristic generation and refinement, but heuristic search typically depends on evaluation feedback from the problem being optimized. Generalizing to new problem definitions using only source-task feedback therefore remains a central challenge. We introduce MECo, an LLM-driven multi-task evolutionary framework for zero-shot cross-problem generalization. MECo maintains task-conditioned heuristic populations and uses a transfer gap based on cross-task population performance to guide their interactions. These interactions enable the transfer and recombination of heuristics. A complementary selection criterion then constructs a compact heuristic set by rewarding each member's additional coverage of source combinations. The selected set is applied to target problems without further search or adaptation. Experiments on 32 problem variants across vehicle routing (VRP) and flexible job-shop scheduling (FJSP) show that MECo achieves the lowest mean costs compared with eight automated heuristic design (AHD) baselines under the same budgets. On out-of-domain problems, it outperforms the strongest baseline in each family. Moreover, integrating the framework of MECo with different AHD methods improves their ID and OOD performance in both families, supporting its effectiveness across different methods.

Large language models can produce economic policy responses that sound reasonable, but this does not show that their actions are consistent with economic dynamics. We test this by placing an instruction-tuned language model inside six Snowdrop-backed dynamic stochastic general equilibrium (DSGE) simulators. At each turn, the model observes the economy and a change in economic discourse, selects a bounded policy action, and receives the next simulated state and an economic reward. We implement a common Python interface for repeated rollouts, persistent shocks, state cloning, and rolling-horizon simulation. This setting creates a long-horizon credit-assignment problem. Policy effects may appear several quarters after an action is taken. PPO has a learned value function that can propagate delayed reward to earlier tokens through generalized advantage estimation. GRPO has no learned value function and instead assigns a group-relative advantage from complete rollout returns. It therefore cannot distinguish which earlier turn caused the outcome; if every rollout receives the same return, the normalized advantage is zero. We use PPO as the primary method and GRPO as a matched critic-free baseline. The experiments also test directional semantic signals, reward horizon, trajectory warm starts, cross-simulator transfer, and historically anchored pandemic and monetary-policy shocks. The objective is to judge policy actions by their simulated economic consequences rather than by plausible language alone.

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 models can translate business descriptions into optimization models, but executable code may misrepresent constraints or objectives. A solver can then return an optimal solution to the wrong problem. Even when the solution satisfies the intended operating rules, a better plan may exist. For organizations that repeatedly use optimization modeling, an LLM-based framework should produce accurate formulations at low cost and, ideally, run locally. We study how to verify improvements and allocate attempts across LLMs that differ in price and capability. We develop OSCAR (Optimization modeling by Simulator, Coder, And Reviewer), which uses an offline Simulator certified against labeled decision examples to compare candidates and continues searching beyond feasibility. We model the search for the next certified improvement as sequential decisions under unobserved difficulty: which LLMs to call and when to stop. In a simplified known-prior setting, we give conditions under which cost-ordered escalation is optimal. For general menus, we derive a prior-free competitive guarantee. On five benchmark problems, OSCAR achieves 95% to 100% accuracy at the reported settings using two small open-weight LLMs, each deployable locally on a single GPU. Their single-attempt accuracies average 29% and 48%. In five runs per problem, Codex and Claude Code incur average token costs 3.1 and 5.8 times OSCAR's, respectively. OSCAR supports open-weight models locally or in the cloud, depending on budget and confidentiality requirements. Firms should maintain labeled decision examples of feasible and infeasible decisions to clarify plain-language operating rules. OSCAR follows these labels when an LLM's interpretation conflicts with them. As LLM capabilities and prices change, OSCAR's simple operating rules and adjustable settings help firms adapt their model choices and benefit from these advances.

Large language models (LLMs) have recently been applied in systems research as a tool to reduce human-intensive engineering effort through cost-efficient automation. Decades of research have produced a rich landscape of concurrency control (CC) protocols, each encoding distinct trade-offs in correctness, throughput, and abort behavior. However, most applications in practice default to 2PL or OCC, because selecting and adapting a protocol to a specific application requires expert knowledge that is rarely available to application designers. This is a wasted opportunity, as an application-specific CC protocol can yield significant performance advantages over a generic baseline, but designing one requires deep expertise in CC protocol design. In this paper, we propose HakiCC, an LLM-driven multi-agent pipeline that automatically designs, verifies, and optimizes concurrency control protocols tailored to a given target application. HakiCC provides a two-stage pipeline. In Stage 1, a multi-agent system takes a workload description as input and generates an application-specific CC protocol implementation, which is iteratively repaired and verified for conflict-serializability. In Stage 2, the verified protocol is further optimized for that application through an LLM-driven evolutionary loop targeting correctness and throughput. We evaluate HakiCC on TPC-C and AuctionMark as target workloads, producing and reporting ten application-specific CC protocols. All ten are conflict-serializable after Stage 1; Stage 2 improves throughput for every protocol, with average gains of +50.6% for TPC-C protocols and +92.2% for AuctionMark protocols.

Large Language Models (LLMs) have been used for novel discovery of algorithms, theorems, drugs, and other tasks through the use of harnesses that prompt an LLM to iteratively optimize an objective. In this work, we study the relationship between the population of previous iterates and eventual discovery success. We generalize past work on harness design to develop a suite of 12 harnesses called 'Modular' and characterize their performance across 5 diverse discovery tasks, finding that discovery success is brittle and sensitive to harness design. We uncover mode collapse, characterized by a dramatic drop in the diversity of iterates, as a common failure mode. We find that popular state-of-the-art harnesses and diversity-inducing harness interventions, which aim to prolong this collapse, yield inconsistent gains. Our results instead uncover that the performance of early discoveries is predictive of eventual success. We therefore propose a universally applicable intervention that performs an initial stage of parallel exploration in order to initialize subsequent iterative optimization. Our method provides consistent gains across many harnesses and target applications, confirming the importance of initialization in LLM-driven discovery.

Language agents are expected to solve increasingly complex tasks, creating a growing need for continual improvement. One promising approach is to evolve the agent harness, the software that governs tool use, memory management, and task execution, while keeping the underlying language model fixed. Recent methods automate this process by using a meta coding agent to modify the harness based on execution feedback. However, relying on that agent's existing knowledge and observed failures can restrict exploration and make adaptation reactive. Inspired by how human experts learn from the research literature for new solutions, we introduce ScholarEvolve, a framework that automatically draws on state-of-the-art research to guide harness evolution. ScholarEvolve organizes the harness evolution directions into functional modules and uses topic modeling to identify distinct improvement strategies for each module. It implements these strategies and evaluates their combinations to improve task performance. Moreover, the framework is designed to incorporate new publications over time, allowing research advances to drive proactive lifelong evolution. Experiments demonstrate improvements on AppWorld and Tau2-Bench. ScholarEvolve raises Qwen3.5-27B task goal completion from 49.6% to 63.6% on AppWorld Challenge, and raises GPT-5.4-mini pass@1 from 72.7% to 81.9% on Tau2-Bench Telecom.

When designing machine learning models, desirable properties are often in tension: improving one behavior can impair another, so task progress can depend on alleviating the conflict. LLM-based AutoResearch systems, which iteratively edit model code and retain edits based on scalar task-performance feedback, have largely ignored this trade-off. We find that scalar feedback supports broad exploration early in search, but it does not reveal how edits affect competing behaviors. In matched-budget experiments, introducing competing-behavior feedback as task gains diminish increases the share of proposals that improve both behaviors and sustains progress beyond scalar-only plateaus. Obtaining this feedback for a given model requires identifying its competing behaviors and designing probes to measure them. To make competing-behavior feedback actionable, we introduce ConflictGuide. Its reusable ConflictGuide-Skill combines a literature-grounded taxonomy with model-specific evidence to identify competing behaviors and specify probes for a code agent to implement as metrics. Evolution proceeds in two stages: Stage I explores with task feedback; Stage II uses probe feedback to steer proposals toward conflict alleviation and retains marginal-gain edits only when probes indicate sufficient alleviation. Across five diverse model families, ConflictGuide reduces task and conflict-related errors by up to 28% and 14%, respectively, relative to scalar-only AutoResearch, with gains extending to other code agents.

Optimization modeling formulates real-world decision problems as mathematical programs that solvers can use to find optimal decisions. Large language models (LLMs) can automate this process, but the resulting correct formulations can require substantial time and memory to construct and solve, limiting practical scalability. Therefore, we systematically investigate whether LLMs can identify problem structure from natural-language descriptions and apply suitable optimization modeling techniques to generate mathematical models and solver code that solve the problems correctly and efficiently. To this end, we first curate OptTips, a knowledge base of 50 expert modeling techniques in eight families. Using this knowledge, we develop OptDachshund, a multi-agent framework that transforms problems from existing optimization benchmarks into new tasks for evaluating LLMs' use of modeling techniques. It constructs conventional and expert mathematical models with solver code for the same task and data, providing baselines for correctness and computational cost. The resulting EfficientOpt benchmark contains 561 expert-reviewed tasks with paired reference implementations. Evaluation of 11 representative LLMs reveals an efficiency gap on correctly solved tasks with comparable measurements: for every LLM, most generated programs take longer to solve than their expert counterparts. Within the comparable reference-size subset, 57% of programs with correct objective values and fewer variables and linear constraints have longer recorded solver times. Case studies show that different modeling techniques can achieve the same optimal value at similar recorded cost. Faster solving may not reduce execution time if the code takes longer to prepare data and build the model. LLM optimization modeling should therefore be evaluated for both correctness and computational efficiency.

Reflective optimizers such as GEPA improve language model prompts from execution traces and evaluator feedback; full-program extensions can also rewrite tools and control flow. In practice, a user hands the same endpoint heterogeneous requests whose effective solutions require different tools, reasoning modes, and control flow. Optimizing one shared program leaves this division of work implicit in source-code search, while optimizing a separate program per request family fixes it beforehand. We introduce Adaptive-GEPA, which learns both how to divide requests and how to solve them. It evolves a router and a library of specialist programs under one search budget. The router's instructions, each specialist's description, and its program code are plain, human-readable text, edited from feedback. To combine branches, it aligns specialists by the requests they handle and inherits descriptions together with programs. On a fixed mixture of four task families, the reported Qwen3-8B run evolves four experts without supplying family labels to the router or reflection model; its routing matches the task partition on all 651 test requests. Its family-mean test score (x100) rises from 52.6 to 70.6, compared with 62.5 for GEPA's full-program adapter and 54.0 for GRPO at a nominal budget of 18,000 scored calls. These counts do not equate total compute. Figure 1 summarizes the learning curves, final test scores, and routing agreement.

Large language models are increasingly participating in complex real-world tasks in the form of algorithm-design agents, designing and refining algorithms. Many successful algorithm-design agents adopt pure in-context evolutionary frameworks, but they may quickly plateau in domains that require specialized knowledge. Parametric adaptation offers a way to internalize specialized knowledge, but conventional training requires abundant domain-specific corpora while high-quality algorithms are scarce in complex algorithm-design scenarios. In this paper, we propose sample-efficient parametric self-evolution where agents can explore and learn from self-generated algorithms. First, we characterize in-context evolutionary stagnation and analytically propose the Improvement Chain proposition, showing how learning successive self-generated algorithms can locally increase the likelihood of neighboring algorithms. Motivated by this local-transfer perspective, we further propose Population-Curated Policy Optimization (PCPO) to utilize a global population and a hybrid policy update scheme for retaining and reusing high-quality, diverse self-generated algorithms, shifting the policy towards stronger algorithms. In the task of learning rate schedule design for global placement in electronic design automation, trained only on 4 chip cases, PCPO outperforms the state-of-the-art in-context evolutionary methods (e.g., OpenEvolve and ShinkaEvolve) on average across 16 chip cases. With an 8B-size base model, PCPO achieves competitive performance compared to frontier closed-source models such as GPT-5.5. PCPO also reduces inference-time token cost by internalizing grounded domain knowledge and prompt distillation. Moreover, PCPO achieves significant speedups on four GPU kernel designs, with an average of 8.27$\times$ speedup against the PyTorch Eager baseline.

LLM-guided evolutionary search can discover complex programs, but existing methods mostly only save candidate programs and fitness scores while discarding which component edits produced which fitness metric changes. Existing methods force the mutator LLM to infer the effect of prior edits from cluttered histories, making program search slow and unstable. This is especially true for locally servable LLMs to evolve multi-component systems. We introduce component-aware feedback, which compares each evaluated program with its parent, identifies the components that changed, and logs them with the associated metric differences into an attribution memory that later mutations read. The memory keeps each change in two reference frames, local against the parent it came from and global against the seed program, which shows both the immediate effect of a change and the cumulative progress made since the seed. We study this on LLM reranking, a multi-objective optimization problem where a multi-stage pipeline must balance quality against serving cost. Across twelve \textsc{Bright} datasets, our method reaches the strongest baseline's final quality after a median of one third of the search budget and ends 7.2% higher in held-out nDCG@10, and under a cost-aware objective it finds pipelines that are on average more accurate while using 11% fewer tokens per query, showing component-aware feedback to be a promising direction for more efficient self-evolving systems.

Frontier LLMs are increasingly used to automate scientific research through iterative search. We distinguish idea-driven search from solution-driven search and identify three core challenges: organizing evolving research ideas, selecting promising directions, and maintaining alignment between ideas and their implementations. To address these challenges, we introduce the Agentic Idea Manager (AIM), a fully autonomous framework for managing and exploring research directions in idea-driven automated research. Inspired by Bayesian optimization, AIM uses an Agentic Surrogate and an Agentic Acquisition mechanism to organize discovered ideas and guide their selection. A Solution Auditor maintains idea-solution integrity, while a Resource Planner adaptively allocates the remaining experimental budget across parallel search branches. Experiments on 10 AutoLab benchmark tasks show that AIM surpasses the strongest baseline by 1.6 percentage points on System Optimization tasks and 4.9 percentage points on long-horizon Model Development & CUDA tasks. Notably, AIM reaches the best baseline performance up to 3.1x faster in wall-clock time. We further provide a theoretical analysis of when searching over ideas becomes beneficial. Our analysis shows that explicit idea-level allocation makes semantic coverage directly controllable, and that broader coverage becomes increasingly valuable when competitive research directions are sparse among many plausible alternatives. Project Page: https://imhgchoi.github.io/agentic-idea-manager/

Real-world optimization problems are difficult to model accurately because many objectives and constraints reside in domain experts' tacit knowledge, making them hard to formalize. As a result, optimization models often contain miscalibrated objectives, missing constraints, or omitted decision variables, leading to solutions that fail to reflect operational realities. We address this challenge by automatically repairing misspecified formulations using historical data consisting of past solutions and subsequent user overrides. Traditional approaches such as inverse optimization and constraint learning tend to overfit sparse data and produce complex formulations. Our central idea is to combine the reasoning capabilities and prior knowledge of LLMs with the formal grounding provided by optimization. We realize this idea through two complementary paradigms. Top-down, an LLM proposes structural repairs, including new constraints and variables, whose numerical parameters are calibrated and validated through optimization. Bottom-up, optimization infers cuts from observed decisions, which the LLM contextualizes into interpretable, generalizable modeling constraints. We evaluate our approach on 38 misspecification scenarios spanning nine classes of optimization problems, several drawn from real-world applications, and show that TACIT can repair 78.9% of them (vs. 60.5% for the best baseline).