Narcissus: Program Synthesis Using Context-Aware LLM Approximations

Large language models (LLMs) excel at programming, but not when the task fixes the target language: prompted with a grammar rare in their training data, their programs usually break the grammar or fail the given specification. Enumerative synthesizers search the space of syntactically correct programs systematically guided by LLMs; the state of the art guides them by approximating LLM proposals into rule frequencies, which loses where each construct belongs and prunes every rule the proposals miss, exactly when the proposals are wrong. We present Narcissus, a synthesizer that keeps the proposals as syntax trees and scores each expansion of a candidate program in its context: does a proposal with the same surrounding structure continue the same way, and does the expansion rebuild a fragment the proposals repeat? A regularization term keeps every rule reachable, so wrong proposals delay the solution but cannot hide it. Across five domains and two search backends, Narcissus beats static guidance at every budget and consistently outperforms re-prompting the LLM to fix its own proposals; it reaches proposal-like programs an order of magnitude sooner and solves $40\%$ of ARC tasks where the raw proposals solve $13\%$, all without a single LLM call during search.

FormuEvo: LLM-Guided Evolution for Discovering Solver-Efficient Mixed-Integer Programming Formulations

Mixed-integer programming (MIP) lies at the core of operations research and industrial optimization. While large language models (LLMs) have recently shown promise in automated MIP modeling from natural language, they prioritize semantic correctness but overlook formulation strength, severely bottlenecking the efficiency of downstream solvers. We propose FormuEvo, an LLM-guided evolutionary framework for automated discovery of solver-efficient MIP formulations. FormuEvo frames MIP formulation design as evolutionary optimization over the symbolic space of MIP formulations, represented as executable modeling programs, by iteratively generating, evaluating, and selecting stronger candidates via LLM-driven crossover, mutation, and repair operations. To move beyond blind exploration, FormuEvo introduces a solver-informed diagnosis mechanism that exploits fine-grained solver statistics as verbal gradients for targeted refinement. Additionally, a structured memory abstracts prior experience into reusable modeling strategies, avoiding redundant exploration while enabling zero-shot transfer to unseen problems and bootstrapping smaller LLMs. Experiments across diverse linear and non-linear problems demonstrate that FormuEvo discovers formulations that significantly outperform both expert-designed formulations and existing LLM-based approaches, accelerating solvers by up to 5.5$\times$, with distilled knowledge transferring effectively across problems and model scales.

Spicing up Genetic Netlist Generation with LLMs

Analog circuit topology synthesis remains challenging because useful designs occupy a tiny fraction of a combinatorial search space, and small structural changes can induce highly nonlinear changes in behavior. Evolutionary algorithms are attractive because they can optimize over discrete circuit topologies using only black-box evaluations, but they often require many SPICE simulations and may converge prematurely. We introduce LLM-SPICEMixer, a hybrid synthesis framework that augments genetic netlist generation with IGEL (Inspiration-Guided Evolution with LLMs), an LLM-based proposal operator. During search, IGEL prompts an LLM with high-performing circuits from the elite set and instructs it to generate a new SPICE netlist, which is then evaluated by SPICE and selected using the same reward mechanism as conventional genetic operators. Thus, the LLM contributes structured topology proposals while simulation remains the source of truth. We evaluate LLM-SPICEMixer on a challenging benchmark task: synthesizing transistor-level circuits that implement a discriminant function for Iris classification. Compared with the genetic framework without LLM guidance, LLM-SPICEMixer improves the median final training reward by 8.4% and the median validation-selected test reward by 8.8%. The best validation-selected circuit achieves 93.3% test accuracy at the nominal tt corner and 85.9% average test accuracy across 17 process, voltage, and temperature corners.

Bi-EZP: LLM-Guided Bilevel Program Evolution for Ensemble Zero-Cost Proxy Discovery

Zero-cost proxies enable neural architecture search (NAS) to rank candidate networks from statistics computed at initialization, avoiding repeated training. However, different proxies capture different properties and often produce inconsistent rankings across search spaces. Ensemble proxies can combine complementary signals, but automated discovery must optimize both discrete aggregation structures and their continuous coefficients, making structural quality difficult to separate from parameter calibration. We propose Bi-EZP, a bilevel framework that decouples these decisions. At the upper level, a large language model generates executable aggregation programs over four complementary base proxies with program-specific parameter bounds. At the lower level, covariance matrix adaptation evolution strategy (CMA-ES) optimizes the continuous parameters of each fixed program on an inner training split. The calibrated programs are then evaluated using Kendall's rank correlation on a disjoint validation split, enabling evolutionary selection to favor structures that generalize beyond their calibration data. Experiments on NATS-Bench and Network Design Spaces evaluate ranking performance across heterogeneous search spaces, and DARTS experiments assess downstream architecture search. Results show that separating program discovery from numerical calibration provides an effective approach to automated ensemble zero-cost proxy construction. The source code is available at: https://anonymous.4open.science/r/Bi-EZP-318D

ATHENA: Knowledge-guided agentic neural architecture search for AutoFormer-based electronic health record modeling

Transformer-based models are widely used for clinical prediction from electronic health records (EHRs), yet their architectures require manual tuning, and the optimal configuration may vary across tasks and hospitals. Neural architecture search (NAS) automates architecture design, but conventional methods are computationally costly for Transformer-based EHR models. Recent large language model (LLM)-guided NAS methods reduce manual search design but conduct each search independently, without reusing architecture knowledge across hospitals. In this study, we propose ATHENA (Agentic Transfer across Hospitals for EHR Neural Architecture Search), a knowledge-guided agentic NAS framework for Transformer-based EHR modeling. ATHENA uses a weight-sharing supernet that is pretrained once per hospital, allowing candidate architectures to be instantiated as inherited subnetworks and evaluated through fine-tuning rather than independent pretraining. It incorporates a two-layer cross-hospital architecture prior. The first layer retrieves high-performing architecture examples from source sites based on task descriptors, while the second estimates the effects of architectural components using SHapley Additive exPlanations (SHAP)-based meta-regression. These priors guide a multi-agent LLM search using validation feedback from the target hospital. Across six clinical prediction tasks evaluated at one held-out OneFlorida+ site and one external MIMIC-IV site, ATHENA significantly outperforms all four baselines in 9 of 12 site-task evaluations under a strict equal-compute comparison. Using a common pretrained AutoFormer supernet for candidate evaluation, ATHENA ranks first in 9 of 12 evaluations at a search budget of 30. It also shows more consistent architecture selection across repeated searches. ATHENA provides a practical approach for reducing manual architecture tuning in Transformer-based EHR modeling.

Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models

Predicting the answer to interventional ``what if'' questions --- the outcome of an action never taken --- requires a \emph{mechanistic}, causal model, not a curve fit; and learning such a model requires \emph{experiments}, because passive data leaves its mechanisms unidentified. Experiments are expensive, so the central problem is \emph{data efficiency}. We present the Model Discovery Agent (MDA), which couples a large language model (LLM), used as a \emph{proposer} of candidate structures, with standard Bayesian machinery --- sequential Monte Carlo (SMC) for parameter and structure posteriors, simulation-based inference (SBI) for intractable likelihoods, and value-of-information (VoI) for experiment design --- to discover latent mechanistic world models from few interventions. MDA operates in the M-open setting: when the truth lies outside the current hypothesis class, a predictive check flags the inadequacy and the proposer expands the hypothesis space with a new model whose parameters are then identified by designed experiments. We show that \emph{discovery and design reinforce}: the design step identifies the mechanism the discovery step proposes, and the identified mechanism improves predictions, enabling further discoveries from the remaining unexplained residuals. On three different benchmarks --- covering physics (\DPbench, \citep{wiemann2026discoverphysics}), chemistry (\CHEMbench, \citep{kabra2026autoscilab}) and biology (\HHbench, a new partially observed single-neuron electrophysiology benchmark we create) --- we show that MDA sets a new SOTA in terms of data-efficient model learning and reliable interventional forecasting ability.

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.

DASyR-LLM: Domain-Aware Symbolic Regression with LLMs for Kinetic Model Discovery

Kinetic model discovery is a central challenge in chemical engineering, as accurate rate expressions are essential for understanding and controlling chemical and biological processes. Symbolic regression (SR) has emerged as a powerful data-driven approach for identifying interpretable kinetic models, but usually operates without domain knowledge, often exploring physicochemically implausible models. Large language models (LLMs) offer a promising avenue for injecting domain expertise into this search. Here, we introduce an LLM-guided SR framework, embedding an LLM module within an iterative SR algorithm for automated kinetic model discovery. The LLM performs two roles at each iteration: (1) a qualitative physicochemical critique of the best SR candidates, and (2) the proposal of new candidate rate expressions guided by the SR-generated models and embedded chemical knowledge. Our framework is evaluated on four in silico case studies of increasing complexity, spanning heterogeneous catalysis and bioprocess systems. Results show the LLM-guided framework reduces iterations to identify the ground-truth model by $41.7-79.3\%$ versus a state-of-the-art SR framework, with the LLM directly proposing the correct model structure in over half of the guided runs. In practical settings, where each iteration typically requires a new wet-lab experiment, this translates into a substantial reduction in experimental effort. Predictive performance on an independent validation set is equivalent between both approaches, with $R^2>0.98$ in all case studies. Ablation studies indicate that both the SR component and the LLM scale contribute to this performance, with a reduced-size LLM largely retaining discovery efficiency. These findings demonstrate that LLMs can effectively inject domain knowledge into scientific model discovery, paving the way toward fully automated, domain-aware kinetic modelling pipelines.

LLM-Guided Evolutionary Search for Constraint Model Reformulation to Improve Solver Efficiency

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.

AutoPref: Automatic Discovery of Task-Specific Preference Objectives for Neural Combinatorial Optimization

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

FunL2O: LLM-Guided Feature Function Design for Learning to Optimize

Learning-to-optimize (L2O) methods accelerate repeated optimization by training models to predict solutions, warm starts, branching decisions, or other forms of solver guidance. A critical yet largely overlooked component of these pipelines is the feature function that maps problem instances to inputs for machine learning models. Existing L2O methods typically rely on hand-crafted features, making representation design manual and largely fixed across domains. We introduce FunL2O, the first unified framework for automating feature design through LLM-driven program evolution for L2O. In a FunSearch-style loop, an LLM proposes executable feature functions, while a fixed evaluation process retrains the original L2O model and measures downstream optimization performance. We evaluate FunL2O on linear and quadratic programming tasks involving solution prediction and warm-starting, as well as on mixed-integer optimization tasks using GNN-guided backdoor branching and Predict-and-Search. Across continuous and discrete optimization tasks and four LLMs, the evolved features consistently outperform hand-crafted representations. These results establish LLM-driven feature evolution as a general and effective approach to automating representation design in L2O.

Adaptive Graph-of-Islands Evolution for Automatic Feature Engineering with LLMs

Automatic feature engineering (AutoFE) for tabular data requires discovering informative transformations from a large program space. Existing approaches suffer from three limitations: classical methods rely on fixed operator libraries with limited expressivity, LLM-based methods generate proposals from static prompts without retaining search experience, and evolutionary methods use fixed migration policies that ignore task-specific cross-family transfer utility. We introduce TOPOFE, a framework that formulates AutoFE as graph-structured multi-island evolutionary program search. The transformation space is partitioned into semantically coherent families, each explored by an island through LLM-guided mutation and crossover. Each island maintains a Prompt Adaptation Memory that accumulates accept/reject feedback to steer proposals toward productive regions without parameter updates. To coordinate global exploration, TOPOFE dynamically learns a directed topology graph whose edge weights encode transfer utility between transformation families. Cross-island transfer is triggered by adaptive saturation detection and performed through LLM-mediated hybrid synthesis, enabling discovery of compositional feature programs that cannot emerge from isolated local search. Experiments on 29 tabular datasets show that TOPOFE consistently outperforms most state-of-the-art AutoFE methods on classification and regression tasks. Beyond predictive performance, TOPOFE produces feature sets with lower redundancy and higher representational coverage, while the learned topology graph acquires meaningful task-specific transfer structure correlated with downstream gains. The discovered feature programs transfer reliably across diverse predictors and LLM backbones, demonstrating that improvements arise from TOPOFE's structured search and adaptive coordination rather than backbone-specific generation capability.

Invariant Discovery for Networked Systems

Invariants, the relations expected to hold among measured signals of a network, underpin applications from verification to traffic generation, telemetry imputation, and input validation, yet writing them by hand demands rare expertise in both formal logic and networking. Automatic miners can help but fall short on two fronts: they still require the hardest input (the grammar of admissible invariants) and they learn only exact, ``hard'' rules, struggling with real-world approximation caused by inherent noise in data. LLMs are tools that can provide semantic reasoning over data, but are non-deterministic and opaque in their learning. Our key idea is to partition the invariant search problem into an AI-driven grammar ``discovery'' problem, followed by a statistics-driven ``search'' problem within the learned grammar. Taken together, this allows non-deterministic, hallucination-prone AI to help produce auditable invariants with formal guarantees. We design and implement such a system, Autogram, and evaluate it on both public and production telemetry data, recovering expert-derived invariants with high coverage and low false positives. We close with discussion on open problems on the path toward fully open-ended discovery.

CoEvoP&R: Co-Evolving Placement Objectives with Routing Feedback via Large Language Models

Analytical placers rely on differentiable objective functions to guide placement, typically combining intermediate surrogate metrics such as half-perimeter wirelength (HPWL) and cell-density penalties. However, these placement-stage surrogates remain misaligned with downstream routed and timing quality. Prior work reduces this gap with human-designed terms or learned black-box surrogates, but the former requires expert retuning and the latter is difficult to explain, debug, or deploy in analytical placement flows. CoEvoP&R addresses these limitations with a large language model (LLM)-based framework that automatically evolves analytical placement objectives. At each generation, the prompt combines the restricted objective interface, baseline context, and archived prior candidates with routing-related feedback from placement, timing proxy, and routing tools. The LLM proposes readable differentiable objectives, which are embedded and validated in DREAMPlace, evaluated through a timing proxy and an actual router, and stored with their feedback to guide later generations. Across eight ChiP-Bench Nangate45 designs and three seeds, CoEvoP&R reduces post-route routed wirelength and congestion by 16.9% and 36.7%, with gains of 0.70 ns in worst negative slack and a 912 ns reduction in total negative slack magnitude over native DREAMPlace. Across eight ICCAD 2015 Superblue designs, it reduces post-route routed wirelength and congestion by 5.4% and 23.2%. Code is available at https://github.com/FCHXWH823/CoEvoP-R.git.

Evolutionary Algorithm-Guided LLMs for Physics-Informed Neural Network Design

Physics-informed neural networks (PINNs) are unusually sensitive to interacting choices of architecture, activation, loss weighting, collocation, optimization, and constraint enforcement. Large language models (LLMs) can propose these choices, but independent recommendations do not accumulate experience from previously trained PINNs. We propose a closed-loop evolutionary algorithm that guides an LLM to generate complete, executable PINN configurations across generations, using measured training outcomes to determine subsequent search decisions. The algorithm maintains an evaluated population and lineage, applies parent-conditioned mutation and crossover, preserves elite and diverse solutions, rejects effective duplicates, and converts parent-relative successes and failures into the next-generation context supplied to the LLM. Every proposed configuration is executed directly under an exact optimizer-step budget. On a one-dimensional multiscale wave equation, two independent ten-generation runs trained 60 PINNs for 600,000 optimizer steps. In both runs, the best configuration appeared in the final generation, with best mean-squared error reduced by 2.97\% and 95.38\% relative to the initial population. The stronger run validated residual connections and increased depth on separate branches, combined them in a later generation, and then refined width and collocation density. It also revealed that low solution error can coexist with a high PDE residual. These results demonstrate the feasibility of evolutionary-algorithm-guided LLMs for PINN design on a controlled PDE while motivating broader, physics-aware evaluation.

LLM-PDESR: Robust PDE Discovery via Subdomain Weighted Residuals and LLM-Guided Symbolic Hypothesis Generation

Discovering governing partial differential equations (PDEs) from noisy observational data is a fundamental challenge in scientific machine learning. Traditional symbolic regression (SR) methods often struggle to identify accurate equations within vast combinatorial search spaces, largely due to their inability to incorporate essential domain-specific prior knowledge. Furthermore, reliance on pointwise evaluations and discrete finite differences inherently amplifies high-frequency noise, creating deceptive fitness landscapes that derail the optimization process. To resolve these bottlenecks, we propose LLM-PDESR, a framework that integrates the structural hypothesis generation of Large Language Models (LLMs) with a mathematically rigorous evaluation environment. By employing C^4-continuous quintic splines for robust differentiation and subdomain weighted residuals as natural low-pass filters, our approach effectively mitigates the fitness landscape distortion that plagues existing methods. A Pareto-driven feedback loop then enables the LLM to iteratively refine candidate equations, balancing predictive accuracy with structural parsimony. We evaluate LLM-PDESR on 23 canonical PDEs and five structurally novel equations (including a multivariate system) specifically designed to preclude dataset memorization and test true discovery capabilities. Demonstrating real-world applicability, the framework successfully extracts a consistent structural skeleton for an interpretable 1D dynamical surrogate (1D-CACE) directly from noisy ERA5 reanalysis data. Extensive experiments and out-of-distribution testing confirm that LLM-PDESR significantly outperforms state-of-the-art methodologies in structural recovery, noise resilience, and the avoidance of spurious complexity and equation bloat.

GAE: Graph-Augmented Evolution for Scientific Discovery via Reinforcement Optimization

Evolutionary program search guided by Large Language Models (LLMs) has emerged as a powerful paradigm for automated scientific discovery. However, current approaches are fundamentally constrained by three bottlenecks: structurally blind parent selection, sparse whole-program evaluation rewards, and static mutation operators that fail to adapt during search. We present GAE (Graph-Augmented Evolution), a framework that resolves these limitations through a tightly coupled, three-pillar architecture. First, a relational graph neural network (GNN) parses programs into typed computation graphs, producing structure-aware embeddings. Second, an RL-optimized meta-controller leverages these embeddings to replace blind evolutionary sampling with a directed policy, dynamically selecting optimal parents and mutation directions based on reward history. Third, an online GRPO fine-tuning loop continuously updates the LLM mutation operator at test-time using group-normalized evaluation rewards, directly aligning the model's generation distribution with high-fitness structural edits. We evaluate GAE on a challenging scientific discovery task: symbolic regression for complex nonlinear oscillator systems. By transforming stochastic search into a directed, self-improving trajectory, GAE efficiently discovers closed-form physical equations, consistently matching or outperforming static LLM-driven baselines and achieving state-of-the-art out-of-distribution performance.

Language models guide symbolic equation discovery by controlling search

Scientific equation discovery must combine broad domain priors with strict numerical testing. Symbolic regression supplies numerical grounding but faces a combinatorial search space, whereas many language-model systems ask the model to propose or select formulas directly. We test a different division of labour. We compare role specifications in which the language model acts as equation author, candidate decider or search controller, alongside end-to-end language-model and purely numerical baselines. In the controller setting we propose here, implemented as LLM-PySR, language models specify variables, operators, transformations and search depth; symbolic regression enumerates and fits expressions; and deterministic metrics govern retention. Across 74 AI-Feynman equations and seven complex formula-recovery tasks, search control achieved the strongest observed balance of accuracy, complexity, stability and cost. On an independent battery dataset, LLM-PySR identified a compact piecewise-linear relation between early voltage-curve displacement and cycle life. The results suggest that language models should shape hypothesis exploration rather than decide which equations survive.

ADVENT: LLM-Driven Automatic Predicate Invention for ILP

Predicate invention (PI), the creation of new predicates to extend the hypothesis space, remains a critical bottleneck in Inductive Logic Programming (ILP). Existing methods rely on domain expertise and produce semantically opaque predicates, hindering adaptation to unfamiliar domains and cross-task reuse. We present ADVENT, an LLM-driven PI mechanism for ILP. ADVENT pairs LLM abductive generation with Prolog deductive verification, forming an iterative loop in which concrete execution results guide the LLM to refine candidate predicates. The mechanism leverages Large Language Models to identify implicit patterns in structured relational data and invent auxiliary predicates with meaningful names and definitions. Invented predicates and learned rules accumulate in a knowledge pool for cross-task reuse. Experiments on nine poker-hand concepts across seven LLMs show that LLM-driven PI achieves 58% success rate where ILP alone fails entirely, formal verification raises this to 80%, and the knowledge pool yields gains up to +31 percentage points, while producing human-interpretable rules. These results suggest that ADVENT offers a promising direction for automating predicate invention and enabling cross-task knowledge reuse in ILP.

Large-Language-Model Discovery of Quantum LDPC Codes through Structured Concept Evolution

Quantum computers could outperform classical machines on important problems, but only if the errors that pervade quantum hardware can be corrected at scale. Quantum low-density parity-check (qLDPC) codes offer a promising route to this goal by combining sparse parity checks with finite encoding rate and growing distance, but their construction remains a challenging discrete design problem. Here we introduce structured concept evolution (SCE), a search framework that pairs a large language model with a structured algebraic mutation grammar to discover lifted-product code families, a class of CSS qLDPC codes. Instead of asking the LLM to design codes from first principles, SCE evolves structured concepts consisting of algebraic specifications paired with executable programs that realize them, using hierarchical mutations that modify the group algebra, protograph geometry, or base space. Running SCE, we discover a diverse set of competitive code families, ranging from abelian constructions to families over non-abelian groups beyond those underlying standard designs such as bivariate-bicycle codes, and characterize them under code-capacity depolarizing noise with BP+OSD decoding. These results are obtained with lightweight models (GPT-5.4-mini and GPT-5.4-nano).

LLM-Aided A* Search in Non-Geometric Network Graphs

Finding the shortest path in non-geometric network graphs, where edge weights encode arbitrary metrics such as latency or monetary cost rather than spatial distance, poses a challenge for informed search algorithms. Their efficiency depends on an informative heuristic, typically supplied in spatial domains by geometric distances that have no counterpart on non-geometric graphs. We propose a large language model (LLM)-aided A* algorithm in which an LLM generates intermediate waypoints that guide the A* expansion toward promising graph regions. At the core of the approach are landmark distances, which serve both as an admissible landmark-based (ALT) heuristic for the search and as a compact structural feature that, supplied to the LLM, restores the distance-to-destination signal it would otherwise lack on non-geometric graphs. Our comprehensive experiments on multiple graph topologies with up to 2,000 nodes demonstrate that LLM-generated waypoints reduce the number of expanded nodes by around 50% while incurring only a marginal path cost increase compared to the optimal solution. We further analyze the impact of prompt engineering and show that incorporating compact structural features, namely heuristic estimates, is more effective than advanced prompting techniques. These findings demonstrate the potential of combining LLM- based guidance with classical search algorithms for efficient network optimization.

Discovery under Hypothesis Redundancy: A Geometric Theory of Discovery Bottlenecks

Scientific discovery saturates when new hypotheses cease to provide independent information, even if the nominal hypothesis space remains large. We study hybrid discovery systems that combine structured local search with LLM-generated non-local proposals and pose the Search Compression Hypothesis: non-local exploration helps only when three geometric conditions co-occur: spectral compression, orthogonal escape from the explored span, and residual signal alignment with the target. We formalize these conditions, derive necessary conditions for hybrid advantage, and test the mechanism in controlled synthetic environments, large-scale A-share factor discovery, and symbolic-regression benchmarks; a public tabular operational sanity check tests the associated budget-allocation implication. Signal-planting and directed-versus-random experiments show that novelty alone is insufficient: random orthogonal jumps expand coverage but do not improve yield without predictive alignment. Across compression sweeps, real factor archives, and LLM-SRBench tasks, hybrid gains concentrate in weakly represented but target-bearing directions and vanish as the hypothesis space approaches full rank. The framework turns LLM-guided discovery from generic novelty search into a diagnostic procedure for deciding when directed non-local exploration is warranted.

LLM-Guided Neural Architecture Search for Robust Co-Design of Physical Neural Networks

Deploying neural networks on unconventional hardware demands architectures that co-optimize task accuracy and platform-specific constraints such as energy cost, physical non-idealities, and numerical precision. Existing neural architecture search (NAS) methods are typically tailored to a single hardware family, limiting cross-platform comparison and generalization. We introduce Unconventional Hardware Neural Architecture Search (UH-NAS), a hardware-agnostic, LLM-guided NAS framework that integrates language models as evolutionary operators to co-optimize accuracy and inference energy. By exposing hardware as a swappable backend with per-platform energy models, physical constraints, and non-ideality simulators, UH-NAS enables fair system-level comparisons across various backends without modifying the search algorithm. Tested on optical MZI hardware, UH-NAS discovers more diverse, robust architectures than conventional baselines while outperforming existing LLM-to-NAS approaches. Additional ablations on architecture robustness under non-idealities and the role of system prompts highlight the importance of architecture-hardware co-design for emerging computing platforms.

ROSUM-MCTS: Monte Carlo Tree Search-Inspired HDL Code Summarization with Structural Rewards

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.

FunctionEvolve: Structure-Guided Symbolic Regression with LLMs

Symbolic regression aims to uncover explicit scientific laws from data. Recent methods use LLMs to guide mutation from background text, which is more directed than random genetic programming. However, exact symbolic recovery requires both semantic guidance and explicit structure, so that domain-informed search are carried out through valid symbolic representation. Current LLM-driven systems remain structure-blind: they select among opaque candidates, lack explicit mechanisms for local mutation, and rely on brittle coefficient fitting that can undervalue correct skeletons. We propose FunctionEvolve, an evolutionary framework using expression trees to organize the whole search: structural summaries promote diverse parent selection, local tree edits preserve useful subexpressions, and structure-aware fitting decomposes, constrains, and simplifies coefficients for more reliable scoring. It uses only elementary function families, without additional domain-specific rules limiting generalization. On the 129-task synthetic subset of LLM-SRBench, FunctionEvolve with \emph{Claude Opus 4.6} recovers 107 exact forms, reaching 82.9% SA@50, 4.5x above same-backbone baselines, and 55.8% SA@1, 3.6x above the strongest previously published top-1 result. Ablations show that structure-visible search is central to reliable recovery, with LLM-guided refinements and structure-aware coefficient optimization serving as essential proposal and scoring mechanisms. We also audit the benchmark and show that collinearity in its materials-science subset creates identifiability issues.

Evolutionary Multi-Task Optimization for LLM-Guided Program Discovery

Recent LLM-guided evolutionary search methods have shown that iterative program mutation can discover strong algorithms, but they typically optimize each task independently, even when related tasks share reusable structure. We introduce Evolutionary Multi-Task Optimization (EMO) for LLM-guided program discovery, and propose EMO-STA (Shared-Then-Adapt), a two-stage framework that first evolves a shared archive of executable programs across a task family and then adapts selected shared candidates to each target task. Within EMO-STA, we explore multiple adaptation strategies, including warm-starting from the shared archive, adapting the best average shared program, and adapting the shared program that performs best on each target task. Across eight task families spanning continuous optimization, geometric construction, modeling, and algorithmic optimization, EMO-STA improves over matched-compute single-task evolution in most settings, with STA Best-Local providing the strongest in-distribution adaptation and STA Best-Shared yielding robust transfer to unseen tasks. Compute-allocation experiments show that allocating a substantial fraction of the family-level budget to shared evolution is consistently beneficial, with roughly balanced shared and adaptation budgets often being optimal. Beyond compute efficiency, we show that shared evolution can mitigate overfitting in low-evidence settings (e.g. few training data), including ARC tasks and time-series feature engineering, by favoring programs that generalize across all tasks rather than exploiting task-specific brittle artifacts.

SeaEvo: Advancing Algorithm Discovery with Strategy Space Evolution

LLM-guided evolutionary search has emerged as a promising paradigm for automated algorithm discovery, yet most systems track search progress primarily through executable programs and scalar fitness. Even when natural-language reflection is used, it is often used locally in mutation prompts or stored without an explicit population-level organization of strategic directions. As a result, evolutionary search can struggle to distinguish syntactically different implementations of the same idea, preserve lower-fitness but strategically promising directions, or detect when an entire family of strategies has saturated. We introduce \model, a modular strategy-space layer that elevates natural-language strategy descriptions from transient prompt context to first-class population-level evolutionary state in LLM-driven program search. \model augments each candidate program with an explicit natural language strategy description and uses this representation in three ways: Strategy Articulation turns mutation into a diagnose-direct-implement process; Stratified Experience Retrieval organizes the archive into strategy clusters and selects inspirations by behavioral complementarity; and Strategic Landscape Navigation periodically summarizes effective, saturated, and underexplored strategy families to guide future mutations. Across mathematical algorithm discovery, systems optimization, and agent-scaffold benchmarks, \model improves the underlying evolutionary backbones in most settings, with particularly large gains (21% relative improvement) on open-ended system optimization tasks. These results suggest that persistent strategy representations provide a practical mechanism for improving the robustness and efficiency of LLM-guided evolutionary search, suggesting a path toward compound AI systems that accumulate algorithmic knowledge over time.