Large Language Model-Guided Optimization

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66 papers in the last four weeks, up 214% on the four weeks before. 0.6% of all new papers.

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Sep 29, 2026cs.AI

OptiCom : A Unified Framework for State-Conditioned Composition in LLM-Driven Optimization

Large language models (LLMs) are increasingly deployed to solve complex scientific and practical problems via iterative optimization. However, dynamically coordinating diverse search mechanisms as candidate quality, failure modes, and resource budgets evolve remains a critical open challenge. Targeted empirical diagnostics reveal that mechanism effectiveness is highly state-dependent. Motivated by this, we analyze how individual decisions drive final outcomes, decomposing the expected terminal improvement under a shared budget into cumulative decision opportunities minus cumulative selection losses. Guided by this opportunity-loss theoretical foundation, we propose OptiCom, a unified framework that represents LLM-driven optimizers within a shared configuration space: C=(A,Q,O,E,M,S), corresponding to artifact, query, operator, evaluation, memory, and strategy. Operating within this space, a fast LLM-based Optimization Controller dynamically composes immediate mechanisms through structured Action Packages, while a slower Strategy Adapter refines long-term selection preferences, operator weights, and templates based on accumulated trajectory feedback. Comprehensive evaluations across 32 benchmark groups demonstrate the superiority of framework: OptiCom achieves an average Max-score rank of 1.72 among 14 evaluated configurations, securing the top score in 23 groups. Ultimately, these results highlight the broad applicability and high extensibility of OptiCom as a general-purpose paradigm for robust LLM test-time scaling.

Chenxing Wei, Sichen Liu, Lizhao Liu +6

School of Computing and Data Science, The University of Hong Kong · Shenzhen Loop Area Institute · ByteDance +3

Large Language Model-Guided Optimization Test-Time Scaling

Sep 29, 2026cs.AI

SimpleEvol: An Agent-Loop Framework for LLM-Driven Automated Heuristic Design with Minimal Human Priors

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

Jianghan Zhu, Cong Zhang, Rongjie Zhu +2

School of Computing and Information Systems, Singapore Management University, Singapore · Independent Researcher · School of Teacher Education, Nanjing University of Information Science and Technology, China +1

Automated Heuristic Design Large Language Model-Guided Optimization Combinatorial Optimization LLM Agents

Sep 29, 2026cs.AI

SkillCome: Group Contrast Skill Optimization with Dual Memory

Skill evolution improves the capabilities of large language models by analyzing trajectories generated under a given skill and modifying the skill accordingly. Existing approaches typically generate a single trajectory per question. However, this provides insufficient optimization signals since it requires inferring effective skill edits from a solitary path. It is difficult to pinpoint which actions caused the failure in a failed trajectory, or to determine which actions in a successful one should be incorporated into the skill. Furthermore, they rely on a local batch of trajectories for analysis, making the optimization direction susceptible to noisy evidence. To address these, we propose SkillCome, a Skill-evolution method based on group Contrast optimization with dual memory. For each question, SkillCome generates trajectories and performs group contrast analysis to precisely identify key behavioral divergences between successful and failed trajectories, offering reliable optimization signals. The dual memory system further accumulates evidence from historical steps to track patterns shared across different groups, leading to more generalized optimization directions. Together, SkillCome builds a systematic optimization process that transforms experience from observed successful trajectories into reusable skills. Extensive experiments on six benchmarks spanning question answering, reasoning, and agentic tasks demonstrate the effectiveness of our method. SkillCome consistently outperforms baselines across five models of varying families and scales, with gains up to +5.69 points.

Haolin Li, Feng Hong, Ang Li +6

Fudan University · Ant Group · Shanghai Jiao Tong University

Large Language Model-Guided Optimization LLM Agent Skill Learning Agent Skill Learning

Sep 29, 2026cs.AI

AI as a Compiler: Compiling Triton kernels without the Triton compiler

Compiler backends are expensive to build and maintain as programming models, workloads, and accelerators evolve. We investigate whether large language models can replace the conventional optimizing and lowering pipeline, a process that we call AI lowering. We study AI lowering from Triton to NVIDIA PTX: an LLM agent translates Triton kernels directly into PTX. We build an environment that evaluates candidate PTX, and an agentic harness in which an LLM translates Triton kernels into PTX. Across twelve common kernels on Ada, Hopper, and Blackwell GPUs and ten kernels from recent ML papers, AI lowering achieves 0.83x-3.34x the performance of autotuned Triton. The largest gains come from transformations that Triton's lowering pipeline does not perform, such as decoding packed binary weights directly into Tensor Core operands (3.34x on BitDelta), assigning each thread a complete softmax row in tensor memory (1.37x on FlashAttention), and reusing overlapping convolution windows (up to 2.23x). These results rely on a robust evaluation harness with comprehensive verification support. We build on Volta, an existing PTX verifier, and substantially extend it to support modern GPU architectures by introducing support for Blackwell's tcgen05 Tensor Core interface. This requires modeling three architectural features: managed tensor memory, descriptor-based operand layouts, and asynchronous execution coordinated through commits, waits, memory barriers, and proxy fences. We discuss the challenges involved in formalizing them, as well as the current limitations. Our results suggest an emerging future in which AI compilers replace custom-written intermediate representations and checkers, reducing the time and engineering effort required to bring up software for new general-purpose and custom chips.

François Costa, Charly Castes, Thomas Bourgeat +1

Stanford University · EPFL

GPU Kernel Optimization Large Language Model-Guided Optimization GPU Kernel Generation

Sep 29, 2026cs.AI

BiFE: Search-Efficient Discovery of CPU-Only Branching Policies via LLM-based Bi-Fidelity Evolution

In branch-and-bound (B&B) for mixed-integer linear programming (MILP), branching variable selection critically impacts efficiency. Existing neural branching policies often require GPU inference, while CPU-efficient symbolic expressions lack the representational capacity for complex logic. Large Language Model (LLM)-generated code provides a flexible search space for designing lightweight branching rules with diverse algorithmic logic. To discover effective rules within LLM-based evolutionary frameworks, a core challenge arises: full B&B evaluation on real instances is prohibitively expensive, whereas offline imitation learning suffers from distribution shift. To address this, we introduce a Bi-Fidelity Evolutionary framework (BiFE). It employs low-fidelity imitation scores as a rapid pre-screener and selectively applies high-fidelity on-instance evaluation only to elite candidates, effectively balancing search efficiency with performance reliability. Experiments validate both the search efficiency of BiFE and the competitiveness of its discovered rules, which outperform the SCIP solver and other baselines on CPUs, and even surpass certain GPU-based neural policies.

Ce Zhang, Bin Zhang, Zhiwei Xu +5

Institute of Automation, Chinese Academy of Sciences · School of Artificial Intelligence, University of Chinese Academy of Sciences · Shandong University

Multi-Fidelity Optimization Automated Algorithm Discovery Branch and Bound Mixed-Integer Linear Programming Large Language Model-Guided Optimization

Sep 28, 2026cs.CV

AutoRef: Harness Optimization for Agentic Multi-Reference Image Generation

Recent image generation models can take multiple reference images as input and combine them into a new image. However, multi-reference image generation remains challenging: models may omit or duplicate subjects from the references, or produce images in which multiple subjects appear unnaturally pasted. Recent work has proposed image generation agents that combine image generation models, reasoning models, and a harness, which is an executable program that specifies how reference images are interpreted, how generation is performed, how outputs are diagnosed, and how the final image is selected. In multi-reference generation, however, references play different roles and outputs must satisfy many criteria at once, such as fidelity to each reference and the naturalness of the whole image, so many parts of the harness could be improved, from how references are processed to how outputs are diagnosed. This makes it hard to predict which changes will improve performance and by how much, and good harnesses difficult to design by hand; indeed, human-written harnesses vary widely in performance. We therefore propose AutoRef, which optimizes the harness automatically while keeping both models frozen: a coding agent iteratively rewrites the harness code. AutoRef separates the tasks whose feedback informs proposals from the tasks used to select candidates, and continues the search from a beam of the top-ranked harnesses on the selection tasks. Using this procedure, we discover AutoRef-Harness, which improves the open-weight FLUX.2 [klein] 4B from 5.72 to 7.37 on held-out four-reference tasks of the MultiBanana benchmark, matching or exceeding proprietary models including Nano Banana Pro and GPT-Image-1.5. Without re-optimization, the same harness also improves results when the generator, number of references, benchmark, evaluator, or reasoning model differs from those used in the search.

Yuta Oshima, Ku Onoda, Yusuke Iwasawa +3

The University of Tokyo

Large Language Model-Guided Optimization Image Generation Agentic Image Generation

Sep 28, 2026cs.LG

QuantForge: Discovering Residual Decompositions for MXFP4 Post-Training Quantization

Four-bit post-training quantization can reduce the memory demands of large language models, but preserving accuracy under strict MXFP4 W4A4 requires coordinating several design choices. Coordinate transforms change block-encoding errors, which in turn affect the residuals propagated through the network. The useful algorithmic decomposition is therefore not fully known before search. LLM-driven program evolution offers a way to explore these choices, but performance scores alone do not explain which design should change next. We introduce QuantForge, a PTQ discovery system that records competing explanations, selects controls that distinguish them, and checks that successor code implements the resulting conclusions. This residual compilation guides program revisions while retaining useful programs even when their original explanations are rejected. Remeasuring the revised program reveals the next error to address. This process discovers HiRes, a fixed MXFP4 quantizer that shapes coordinates, refines legal code assignments, and recovers errors along attention and MLP paths. Each stage acts on residuals measured after the preceding stage has executed. Across seven tasks, HiRes achieves the lowest seven-model Robust Fit (0.09300) and the lowest quantized Fit-7 at 32B. In matched-budget comparisons of LLM-driven program evolution, each with 240 evaluator calls, QuantForge reaches a held-out transfer target in six of eight runs, compared with three each for textual memory and reflection memory, and one for score-only evolution, despite evaluating fewer new programs. These results show that QuantForge improves the discovery of transferable PTQ algorithms by turning controlled evidence into subsequent program changes.

Qiulin Shang, Zhoutong Wu, Jie Hu +1

Peking University

LLM Quantization Large Language Model-Guided Optimization 4-Bit Quantization Post-Training Quantization Neural Network Quantization

Sep 28, 2026cs.LG

M3OS: A Monte Carlo Graph Search-Orchestrated Multi-Agent LLM System for Evidence-Traced Molecular Optimization

Small-molecule optimization integrates medicinal-chemistry reasoning and computational evidence through iterative, multi-objective decisions. When large language models (LLMs) reason over optimization histories stored primarily in conversational context, they must recover candidate identities, prior evaluations, and task constraints to guide subsequent decisions. We present M3OS, a multi-agent LLM system that decouples molecular-design reasoning from optimization-state management through Monte Carlo graph search. A persistent graph links evaluated candidates, parent-child transformations and evaluation evidence, while rewards and visit statistics guide LLM-assisted parent selection. Two branches combine tool-driven candidate generation with knowledge- and case-guided medicinal-chemistry editing. An execution harness controls graph updates through structured output extraction, molecular validation and task-bound evaluation. Agents receive role-specific contexts, while the graph preserves optimization trajectories beyond their active contexts. Across three molecular optimization benchmarks, M3OS achieves higher success rates than baselines, supporting the integration of persistent search state, specialized agents and controlled execution for multi-constraint optimization.

Junjie Wang, Yaowei Jin, Ruohui Tang +7

Lingang Laboratory, Shanghai, 200031, China. · School of Information Science and Technology, ShanghaiTech University, Shanghai, 201210, China. · Global Institute of Future Technology, Shanghai Jiao Tong University, Shanghai, 200240, China.

Molecular Optimization Multi-Agent LLM Systems Large Language Model-Guided Optimization Memory-Augmented Language Model Agents

Sep 28, 2026cs.LG

LLMs as Adaptive Meta-Solvers: Strategy-Diverse RL for Industrial-Scale Optimization

Scaling LLM-based optimization from textbook-scale instances to real-world, industrial tasks remains a critical open challenge. Existing approaches are predominantly evaluated on small, self-contained textual problems and often commit to a solver-integrated paradigm, limiting their ability to handle the scale and structural diversity of practical optimization workloads. In this work, we propose a practical framework for training open-source LLMs to tackle real-world, industrial-scale optimization. We first show empirically that solver-integrated reasoning, exact combinatorial algorithm, and heuristic search exhibit complementary strengths across different problem structures and scales. Motivated by this, we introduce Strategy-Diverse Reinforcement Learning (SDRL), which trains LLMs as adaptive optimization meta-solvers. SDRL leverages this complementarity through a correctness-gated hierarchical diversity reward that promotes robust exploration across varying strategies and within each strategy, effectively preventing premature strategy collapse. We further introduce a mixed-format training scheme that jointly supports both self-contained textual problems and file-grounded instances. Across comprehensive evaluations, our framework outperforms existing fine-tuned methods and frontier models including DeepSeek-V4-Pro and GPT-5.5, both on average across benchmarks and on industrial-scale optimization tasks.

Shihao Zhang, Weiting Liu, Siyu Shao +4

East China Normal University · Alibaba Group · Fudan University +4

Algorithm Selection Reinforcement Learning Large Language Model-Guided Optimization RL for Combinatorial Optimization

Sep 28, 2026cs.LG

Agentic High-Dimensional Bayesian Optimization with Hypothesis- and Evidence-Guided Search

High-dimensional Bayesian optimization (HDBO) seeks sample-efficient optimization when the number of variables is large relative to the evaluation budget. Recent LLM-based and agentic BO methods incorporate task knowledge and adapt search decisions during a run, but have primarily been evaluated on low- and moderate-dimensional problems. We ask whether this paradigm can transfer to the higher-dimensional regime. Our experiments show that these methods do not remain reliable in the high-dimensional regime, where the challenge is not only where to evaluate, but also which modeling assumption and search geometry to use when the objective's useful structure is unknown. We therefore introduce HERA, a Hypothesis- and Evidence-guided Research Agent that uses task context, optimization feedback, and structural diagnostics to revise search hypotheses, select and configure HDBO strategies, and determine their execution length. PRISM, its numerical optimization engine, generates and evaluates candidates sequentially within each search block, updating numerical models after each observation. HERA remains competitive with strong numerical HDBO baselines and outperforms the evaluated LLM-based and agentic methods on four metadata-free synthetic functions. Across eight real-world tasks, HERA achieves the best mean final objective among all evaluated systems on most benchmarks. Further analyses show that structural diagnostics change strategy use, metadata effects vary across tasks, and adaptive search blocks reduce inference cost.

Zhixuan Gao, Ke Xue, Rongxi Tan +2

State Key Laboratory of Novel Software Technology, Nanjing University · School of Artificial Intelligence, Nanjing University

Algorithm Selection Bayesian Optimization Large Language Model-Guided Optimization

Sep 28, 2026cs.LG

Direct Self-Evolving Optimization: Evolving LLMs without Challenger Training

Self-evolving language models improve by generating tasks and learning from their own feedback, but adapting the task generator often requires a separate challenger-training loop. Can we generate tasks adapted to the current solver without explicitly training a challenger? We introduce \textbf{D}irect Self-\textbf{E}volving \textbf{O}ptimization (DEO), which replaces challenger parameter updates with solver-guided task sampling. The KL-regularized challenger objective defines an exponential tilt of a fixed base task distribution. DEO uses this distribution as a sampling target: a frozen LLM generates and mutates tasks, the solver scores them, and an approximate Metropolis selection rule refines the training pool. Only the solver is trained. Theoretically, for an idealized variant that samples exactly from the tilted distribution, and under regularity, local gradient-dominance, and initialization conditions, we show that DEO learns distributionally robust reasoning ability. In experiments, DEO achieves reasoning performance competitive with R-Zero while using over

50\%

less wall-clock training time, and improves reasoning accuracy over a no-walk ablation. Replacing the task generator with a frozen API-only LLM further improves the local solver, illustrating a capability enabled by removing challenger training.

Yuyang Deng, Yu Wang, Jiayun Wang

Accenture, Center for Advanced AI · Georgia Institute of Technology

Self-Training for Language Models Large Language Model-Guided Optimization Distributionally Robust Optimization Language Model Self-Improvement LLM Training LLM Reasoning

Sep 28, 2026cs.AI

Towards Certificate-Driven Software Porting: A Self-Improving Agentic Harness for Scientific Program Optimization

The upgrade and rewriting of large scientific codebases has traditionally been a major challenge. While evolutionary search with large language models (LLMs) can port and accelerate legacy code, repair feedback in prompts alone does not prevent subsequent candidates from repeating the same errors. We introduce Certificate-Driven Evolutionary Search (CDES), which extends evolutionary search with enforceable restrictions derived from failed candidates, recorded as certificates of assumptions, checker evidence, and justified restrictions. Its control logic enforces these restrictions through rejection, backtracking, and targeted repair while preserving compatible edits. We apply CDES to CPU-to-GPU translation of two particle-simulation functions from the Geant4 toolkit, evaluated with a harness that goes beyond unit tests to combine formal checks, numerical comparisons, physics checks, and GPU safety tests. Generated implementations achieve 13.78x and 23.54x function-level speedups over CPU code, including data conversion and transfers; for one function, GPU throughput exceeds an expert implementation by 14.9%, reaching 16.1% when complementary components are combined. In an ablation over execution settings, certificate feedback increases the fraction of candidates passing required correctness checks from 55% to 90%.

Piyush Jha, Aishik Ghosh, Vijay Ganesh

School of Computer Science, Georgia Institute of Technology, USA · School of Physics, Georgia Institute of Technology, USA · Lawrence Berkeley National Laboratory, USA

Code Translation GPU Kernel Optimization Evolutionary Optimization Large Language Model-Guided Optimization Scientific Code Generation

Sep 27, 2026cs.LG

BOReFT: Manifold Steering of Language Models for Black-box Optimization

Language models are increasingly used as proposal models for black-box search, from program optimization to molecular design. Existing approaches typically improve proposals through iterative prompting or parameter updates, offering limited control over how completely and efficiently the model's search space is explored. Continuous optimization methods, such as Bayesian optimization, provide a principled way to search but require a suitable domain to operate over. To address this, we introduce BOReFT, which learns a compact, low-dimensional space of hidden-state interventions in a frozen language model, and uses this space as the search domain for Bayesian optimization with an external scoring function. Empirically, we find that the learned domain spans semantic regions and exhibits smoothness properties that support search. Theoretically, we show that semantic coverage and interpolation control the best score available in the learned space, and that decoding from this space yields a standard stochastic-bandit observation model for adaptive search. We evaluate BOReFT on the interpretable word search task "Semantle" and on three more real-world discovery tasks in de novo molecule property optimization. Compared to strong LLM baselines, BOReFT finds in Semantle a higher number of hidden targets and, on two out of three molecular objectives, achieves higher property scores. Consequently, our method provides a principled new bridge between discrete proposal spaces of LLM-based search and continuous black-box optimization.

Dhruv Agarwal, Rico Angell, Kavitha Srinivas +4

University of Massachusetts Amherst · New York University · IBM Research +1

Bayesian Optimization Large Language Model-Guided Optimization Latent Space Optimization Large Language Model-Guided Scientific Discovery Activation Steering

Sep 27, 2026cs.RO

Large Language Models for Model-Based Robot Design

Large Language Models (LLMs) can contribute useful engineering knowledge to robot design, but directly generated designs may rely on implicit assumptions and provide no guarantees of feasibility or optimality. These assumptions are critical because different reasonable modeling choices can materially change which designs are predicted to be feasible or optimal. We therefore present a framework that uses LLMs to construct explicit engineering models containing physical relationships, compatibility constraints, and objectives, allowing these modeling choices to be inspected and revised before formal optimization. The model can then be updated with additional engineering, manufacturer, or system-specific information before formal multi-objective optimization provides feasibility and Pareto-optimality guarantees with respect to the finalized model and specified design space. We evaluate the framework on quadcopter and line-following robot component-selection problems. Across 30 direct LLM design trials, none could be verified as feasible under the corresponding finalized model. Comparisons with an independently developed expert model and successive stages of model refinement further showed that changes in modeling assumptions substantially altered the predicted feasible and Pareto-optimal design sets. Together, these results show that using LLMs to construct explicit engineering models makes the underlying design choices available for inspection and revision before those assumptions determine the optimized designs. Explicit modeling therefore provides an interface for combining LLM-generated engineering knowledge, system-specific information, and formal design optimization.

Andrew Wilhelm, Angelina Zhao, Nils Napp

Department of Electrical and Computer Engineering, Cornell University, Ithaca, NY, 14850, United States

Large Language Model-Guided Optimization Robotics Natural Language to Optimization Modeling

Sep 24, 2026cs.DC

KernelOPT: Dispatch-Aware Agentic Search for GPU Kernel Optimization

Deep learning inference and training performance depends critically on GPU kernel efficiency. Modern compilers such as PyTorch Inductor automatically generate GPU kernels from high-level model code, but frequently underperform expert-written implementations by wide margins. Recent LLM-assisted kernel optimizers can close this gap for standalone kernels, yet treat compiled models as black boxes, generally optimizing individual standalone kernels without respecting the compiler's structural decisions or verifying the model end-to-end. We present KernelOPT, a multi-agent system that treats compiled models as structured artifacts. It preserves vendor library calls (cuBLAS, cuDNN) and exclusively targets generated Triton sub-kernels using five profiling-guided LLM agents. A four-gate verification cascade applies static validation, multi-seed correctness checking, model-level float64-fallback verification, and performance gating (

γ{=}1.03

) to filter candidates and verify the re-stitched model end-to-end. When candidates fail verification, the system preserves the compiler baseline. The system accepts PyTorch nn Modules, standalone Triton kernels, and Helion kernels. Evaluated on 250 KernelBench problems (100 Level 1, 100 Level 2 and 50 Level 3) on NVIDIA H200, KernelOPT achieves geometric mean speedups over torch compile of 1.40

\times

(L1), 1.15

\times

(L2), and 1.07

\times

(L3) across all kernels, including fallback cases. Optimized-only geomeans (excluding cases where verification gates preserve the compiler baseline) are substantially higher: 2.54

\times

(L1: 36/100), 1.84

\times

(L2: 23/100), and 1.37

\times

(L3: 11/50), reflecting where the optimizer achieves meaningful leverage.

Aheli Poddar, Sanskar Prasad, Arindam Samanta +3

Red Hat

GPU Kernel Optimization Agentic Search Large Language Model-Guided Optimization

Sep 23, 2026eess.SY

Evolving Inspectable O-RAN Slicing xApps with LLMs

Open RAN (O-RAN) slicing xApps must adapt resource allocations to changing channel conditions and traffic demands while meeting service-level agreements (SLAs). Deep reinforcement learning can produce adaptive policies, but their allocation rules remain encoded in neural-network parameters. Our goal is to retain this adaptability while making the controller's decision logic directly inspectable and editable by operators. We use a large language model (LLM) to evolve slicing controllers as compact Python programs whose decision logic remains readable and editable after optimization. The LLM proposes and revises candidates offline, while a calibrated simulator scores them, and the selected decision module runs unchanged in the O-RAN control path. On the NSF POWDER 5G testbed, the evolved controller releases resources from a guaranteed slice whose throughput target becomes unattainable under a sustained channel fade, improving best-effort throughput from 158.2 to 228.6 Mbps, a 44.5% gain over the best static allocation. Since the controllers are readable source code, their behavior can be predicted from their equations, defects can be diagnosed by reading the code, and calibration errors can be corrected with one-line edits, reducing SLA misses from 79.9% to 2.2% in one case and more than doubling fitness in another. In a four-slice trace-driven simulation calibrated to the same testbed, evolutionary search achieves higher average evaluation scores than independent prompting at a matched proposal budget, with mean normalized gains on held-out traces of 16.3% for prompting alone, 32.1% for evolution from scratch, and 51.0% for evolution from a starting program.

Faezeh Dehghan Tarzjani, Bhaskar Krishnamachari

Department of Electrical and Computer Engineering, University of Southern California

Large Language Model-Guided Optimization LLM-Based Program Synthesis Open Radio Access Network Wireless Resource Allocation

Sep 23, 2026cs.NE

Combining LLMs and Genetic Search for ARC-AGI-2

LLMs can generate programs for ARC-AGI-2 tasks, but the provided compute only allows a small number of attempts to generate, debug and validate solutions. Genetic algorithms can search and test many more programs, but random search rarely starts in a useful neighborhood of the solution space. We combine the two methods through a compact domain specific language (DSL). First, a quantized Qwen3.5-4B LLM generates an initial set of programs for each ARCAGI-2 task. Then, we use those programs to seed an initial population of starting programs, and use genetic algorithms to evolve these programs towards a solution to the given task. The DSL is designed such that every mutated program remains valid and can be executed. The initial programs proposed by the LLM solve 2 (3.3%) of the first 60 tasks of the ARC-2 public evaluation set. The genetic algorithm solves an additional 4, giving 6 correct test outputs in total (10.0%). If we try using evolving solutions without this LLM seeding, we do not arrive at any solutions at all. The results show that genetic search can improve programs generated by LLMs and produce additional correct solutions.

Val Dyachenko

Large Language Model-Guided Optimization Genetic Programming LLM-Based Program Synthesis ARC-AGI

Sep 22, 2026cs.CL

ClusterFewshot: Improving Few-shot Optimization for LLMs workflow

The performance of large language model (LLM) workflows often depends on selecting a small set of in-context demonstrations to guide model behavior on new tasks. Recent methods improve this process by augmenting prompts with successful reasoning paths. However, their demonstration selection relies on random sampling or metric-based rankings, overlooking the semantic structure of the task. We propose ClusterFewshot, a strategy that combines semantic structuring with utility-aware scoring to construct representative and effective few-shot demonstration sets. Evaluated within DSPy-based pipelines, ClusterFewshot substantially reduces optimization cost across multiple benchmarks, while consistently improving accuracy relative to prior bootstrap-based methods in both standalone prompt tuning and hybrid prompt-weight optimization.

Omri Bar Haim, Shahar Katz, Lior Wolf

Blavatnik School of Computer Science, Tel Aviv University

In-Context Example Selection Large Language Model-Guided Optimization Few-Shot Prompting Automatic Prompt Optimization

Sep 22, 2026cs.AI

AgenticSizing: A Large Language Model-based Multi-Agent Framework for Analog Circuit Sizing

Analog circuit sizing remains a challenging and time-consuming task due to the large design space, strong performance trade-offs, and increasing circuit complexity in scaled technologies. Although recent large language model (LLM)-based methods show promise in improving sample efficiency and interpretability, existing approaches often lack explicit circuit-topology understanding and are mainly evaluated on relatively simple analog building blocks. This paper presents a multi-agent LLM-based framework for complex analog circuit sizing. The proposed framework first analyzes the circuit topology and decomposes the netlist into functional blocks and substructures. It also extracts lightweight design knowledge for reuse. Based on the extracted topology and knowledge, a planner coordinates multiple role-specialized sizing agents to update design variables and achieve global performance specifications. This workflow mimics the collaborative process of an expert analog design team and provides a structured, interpretable, and simulation-driven optimization procedure. The framework was validated on eight circuits, with the largest design containing up to 55 transistors and 60 sizing variables. Notably, for the LDO benchmark, the proposed method achieved a 60% success rate with an average of 83 iterations, where classical optimizers failed to find feasible solutions. Further, ablation studies demonstrate that topology understanding, design-knowledge infusion, and agent specialization provide complementary benefits. The source code is available to support reproducibility.

Yijia Hao, Pratibha Verma, Dongxu Guo +4

Centre for Electronics Frontiers, Institute for Integrated Micro and Nano Systems, School of Engineering, The University of Edinburgh, UK · Department of Electrical Engineering, Indian Institute of Technology Indore, India · School of Informatics, The University of Edinburgh, UK +1

Large Language Model-Guided Optimization Electronic Design Automation Multi-Agent LLMs LLM Agent Planning

Sep 22, 2026cs.AI

Direct Optimization of Generators for Search in Automated Theorem Proving

Fine-tuned Large Language Models (LLMs) significantly advance Automated Theorem Proving (ATP), but are often deployed as guiding policies within tree search rather than for single-attempt generation. Recent work shows cross entropy is suboptimal for an LLM used in flat search strategies such as aggregation or filtering and that work has developed new loss functions to correct this misalignment. Extending this alignment to tree search is more challenging: proof discovery depends on exploration and recovery through off-trace states that supervised demonstrations do not reveal. We extend Compute-Aligned Training (CAT) to this setting through an abstraction of policy-guided search, deriving tractable, trace-supported losses. Alongside these search-aware losses, we introduce a search-agnostic uniform-allocation (UA) loss that accounts for the budget without specifying the specific search. Both induce scalar weights on per-tactic cross-entropy gradients. We characterize how off-trace behavior affects the search-aware weights, including conditions for vanishing approximation error at large budgets. On a Lean benchmark, both approaches achieve higher observed proof-success rates than cross-entropy across six search strategies, with strong results from a single shared UA adapter. Budget sweeps show larger gains over cross-entropy at 16 than at 256 expansions, implying CAT scales with test time compute.

Adam Ousherovitch, Ambuj Tewari

Department of Statistics University of Michigan

Inference-Time Search Automated Theorem Proving Large Language Model-Guided Optimization LLM Training

Sep 20, 2026cs.CL

STEVE: Stabilizing Textual Gradient-Based Prompt Optimization via Error-Driven Refinement and Regularized Verification

Textual-gradient methods automate prompt optimization through natural-language feedback, but their iterative updates can be unstable. We identify two sources of this instability: noisy gradients produced from already-correct examples and over-specialization to hard cases that degrades performance on simpler inputs. We introduce STEVE, a stabilization framework with two coupled mechanisms. Error-Driven Refinement generates gradients only from incorrectly handled examples, concentrating updates on informative failures. Regularized Verification treats every update as provisional and accepts it only when improvement on hard cases does not cause unacceptable regression on a preservation set. Across ten reasoning benchmarks, three evaluator/optimizer models, and established prompt-optimization baselines, STEVE reduces degradation and produces more robust prompts. Additional evaluations with gpt-5.4-mini/gpt-5.4 on symbolic reasoning, GSM8K-Platinum, and DS-1000 show that these gains persist with newer models and larger test sets. STEVE therefore provides a practical way to improve the stability and effectiveness of textual-gradient prompt optimization.

Yifan Xu, Yixuan Li, Xinzhuo Li +4

University of Illinois Urbana-Champaign · Google DeepMind

Large Language Model-Guided Optimization Automatic Prompt Optimization

Sep 17, 2026eess.SY

Large Language Models as Falsifiers for Cyber-Physical Systems

Falsification searches for counterexamples to formal specifications in cyber-physical systems (CPS). With specifications written in Signal Temporal Logic (STL), falsification can be formulated as a robustness optimization problem, traditionally tackled with black-box search algorithms. In parallel, large language models (LLMs) have recently emerged as surprisingly effective optimizers when coupled with iterative prompting. In this work, we connect these ideas and introduce LLM-Falsifier, an LLM-based approach that falsifies specifications by minimizing the STL robustness degree. Beyond generic prompt-based optimization, our key idea is to expose the LLM to semantic information that is natural for language models but absent from standard numerical optimizers, including natural-language input and output names, output trajectories, and critical-time witnesses for the minimum robustness value. These additions enable smarter and more sample-efficient robustness search. On the ARCH-COMP falsification benchmarks, LLM-Falsifier is shown to outperform existing falsification tools based on a range of optimization paradigms, from surrogate-based and Bayesian optimization to search-based testing, on 14 of 21 specifications when measured by the average number of simulations required to find a counterexample.

Ali ArjomandBigdeli, Jiawei Zhou, Stanley Bak

Stony Brook University, Stony Brook, New York, USA

Cyber-Physical Systems Large Language Model-Guided Optimization

Sep 17, 2026cs.CL

Evolution or Illusion? Rethinking Evaluation in LLM Evolutionary Search

LLM-driven evolutionary search finds programs by launching seeds and iterating each one. Papers report a single budget setting, usually one seed run for a fixed number of iterations, and rank methods from that one point. We show this is not enough. We evaluate three evolutionary search strategies on five optimization tasks, commonly used by papers in the genre to report results. We run the analysis over a full grid of seeds and iterations. Our findings suggest that the best way to split a fixed budget between more seeds (width) and more iterations (depth) changes with the strategy, the task, and the total budget. Furthermore, we observe that the ranking of strategies also changes with the budget. On one task the strategy that looks worst at one seed is best at forty seeds. On another the best number of iterations is well below the value common in practice, so extra depth wastes budget that more seeds would turn into score. We provide a measurement protocol that reports the seeds-by-iterations frontier and practical guidance for using it.

Tal Oved, Roi Pony, Oshri Naparstek +1

IBM Research

Evolutionary Optimization Large Language Model-Guided Optimization

Sep 17, 2026cs.AI

AutoData: Agentic Search for Pre-training Data Selection

LLM agents have recently shown promise in automating machine learning engineering by editing model and training code under execution feedback. Data, however, remains largely outside this agentic optimisation loop. We frame pre-training data selection as heuristic engineering over per-document features, i.e., lexical statistics, categorical labels, and perplexity. We introduce AutoData, an agent that searches directly over executable selection algorithms. Unlike prior data mixture methods that optimise weights over a fixed set of domains, AutoData searches a richer program space of scoring, stratification, and stochastic selection rules, discovering feature interactions automatically by iteratively refining algorithms with validation feedback from a proxy model. Within an overnight search, AutoData discovers a selection algorithm that outperforms existing human-designed curation pipelines. Despite being searched only on this small proxy, the discovered recipe transfers to larger scales and improves the downstream metric CORE. These results suggest that data engineering can be treated as an agentic machine learning problem, extending autonomous research from model and training-code optimization to the data.

Yan Meng, Dhruv Srikanth, Bingchen Zhao +2

University of Amsterdam · Weco AI

Language Model Pretraining Automated Algorithm Discovery Large Language Model-Guided Optimization Training Data Selection

Sep 16, 2026cs.LG

Bayesian Optimization with Rich Auxiliary Information via LLMs

Bayesian Optimization (BO) is widely used for optimizing expensive black-box functions, yet many real-world optimization problems contain substantially richer information than function evaluations alone. Examples include training curves in hyperparameter optimization, expert notes and images in scientific experimentation, and prior knowledge about where optima may lie. We show that large language models (LLMs) can effectively leverage such rich auxiliary information to guide optimization. Motivated by these findings, we develop three methods for incorporating auxiliary information into BO using LLMs. Across hyperparameter optimization benchmarks and a real-world nuclear fusion optimization task, our methods consistently outperform both standard BO and existing LLM-based optimization approaches. Our results demonstrate the effectiveness of LLMs for leveraging rich auxiliary information in BO.

Tejus Gupta, Efe Mert Karagözlü, Rohit Sonker +2

School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213

Bayesian Optimization Large Language Model-Guided Optimization

Sep 15, 2026cs.NE

LLMDE: A Large Language Model-Driven Differential Evolution Algorithm for Portfolio Optimization

This study proposes a Large Language Model-Driven Differential Evolution (LLMDE) algorithm to reduce the reliance on handcrafted hyperparameter design. The proposed algorithm leverages a prompt engineering strategy, allowing large language models (LLMs) to dynamically select mutation strategies and configure control parameters guided by optimization feedback, thus enhancing the performance of the DE algorithm. We evaluate the performance of LLMDE on the CEC2022 benchmark suite, comparing it with standard DE and representative metaheuristics. Furthermore, we employ factor analysis and K-means clustering for stock selection, and then apply LLMDE to solve the Conditional Value at Risk (CVaR) portfolio optimization problem using the selected stocks, subject to budget and minimum expected return constraints. Experimental results demonstrate that LLMDE achieves competitive performance on the benchmark suite while continuously generating high-quality solutions for complex constrained optimization tasks. These outcomes successfully demonstrate the viability of embedding LLMs within metaheuristics, paving a promising path toward the design of advanced LLM-assisted optimization techniques.

Rong Chai, Vaclav Snasel, Xiaopeng Wang +2

Faculty of Electrical Engineering and Computer Science, VŠB-Technical University of Ostrava, Ostrava, Czech Republic · Centre for Artificial Intelligence Research and Optimisation, Torrens University Australia, Brisbane, Australia · Digital Health and Applied Technology Assessment, King’s College London, London, UK

Differential Evolution Large Language Model-Guided Optimization Portfolio Optimization

Sep 15, 2026cs.AI

little m: An AI Agent for Industrial Process Optimization

Manufacturing consumes one third of global energy and still has significant room for improvement in terms of energy efficiency. Optimal process control is essential for this purpose. However, synthesizing mathematical optimization models from messy, real-world industrial specifications requires bridging unstructured natural language and spatial diagrams with rigorous mathematical syntax. This poses a profound challenge for general-purpose Large Language Models (LLMs), which may introduce invalid constraints when tasked with modeling continuous multi-physics dynamics. To address this, we introduce little m, an AI agent designed to assist the formulation of industrial process control models. Combining a domain-specific knowledge repository with LLM-driven interaction, the proposed framework formulates real-world optimization problems as mathematical models. For systematic evaluation, we introduce the Industrial Process Control Benchmark (IPC-Bench), a novel multimodal dataset of 50 canonical scenarios requiring joint reasoning over text and process diagrams. Through comprehensive automated structural assessments and double-blind human evaluation, little m substantially outperforms state-of-the-art LLMs, generating semantically correct models. These evaluations assess formulation quality rather than solver feasibility, formal physical validity, or closed-loop industrial performance. The implementation of little m and the IPC-Bench dataset are available at https://github.com/yeyongchao/process-modeling-benchmark.

Yongchao Ye, Xinyu He, Dutliff Boshoff +2

Department of Data Science, City University of Hong Kong, Hong Kong SAR, China · Hong Kong Institute for Advanced Study, City University of Hong Kong

Large Language Model-Guided Optimization Multimodal Reasoning Natural Language to Optimization Modeling

Sep 14, 2026cs.LG

Agentic Search Spaces for Tabular Machine Learning

Despite the rapid progress of LLM-based agents for planning, code generation, and debugging, their practical value for tabular machine learning remains underexplored. In this paper, we investigate a concrete use case: whether state-of-the-art agentic AI systems can design extended HPO search spaces for established tabular models that outperform the standard search spaces provided by the model authors. Specifically, we represent each tabular model as a modular pipeline covering preprocessing, embeddings, architecture, training, and inference. We then task the agent to propose candidate code implementations for each module and use a classical HPO algorithm to jointly optimize over these candidates and the model's default hyperparameters. Compared with the base HPO spaces, the expanded search spaces improve the performance of nearly every model family across a suite of 45 datasets, with average relative gains of 0.6%, rising to 2.0% on small-to-medium regression datasets. Notably, these gains come at no extra tuning cost: the enlarged spaces outperform the base under the same tuning and ensembling budgets. The gains transfer to the recent TabArena benchmark, where the agentic spaces improve the official Elo scores of four of the five model families and the two strongest agentic ensembles surpass the best AutoGluon ensemble of conventional models. Overall, our study suggests that LLM agents can provide practical value for tabular ML by expanding the design space.

Renat Sergazinov, Artem Chistyakov, Sergey Pankevich +1

† Yandex ‡ HSE University

Large Language Model-Guided Optimization Tabular ML Tabular Prediction Hyperparameter Optimization

Sep 14, 2026cs.SE

Failure-Guided Co-Evolution of Prompts and Training Data

Automatic prompt optimization (APO) improves language-model programs by revising prompts from task feedback, yet it typically holds its training data fixed. Repeatedly optimizing against the same instances confines feedback to weaknesses already represented in those data, leaving related failure conditions unexplored. We therefore view each failure as a dual signal: it indicates both how the prompt should be revised and what new training evidence should be synthesized. We introduce FORGE, a failure-guided framework that co-evolves prompts and training data. FORGE abstracts imperfect executions into reusable failure modes and synthesizes new training data through four complementary mutation strategies. Verified instances are fed back into prompt search, allowing updated prompts to expose the next data needs. Across eight heterogeneous benchmarks, FORGE improves the aggregate score over the unoptimized baseline by 16.52 percentage points and outperforms all evaluated APO baselines. The synthesized data also transfer beyond FORGE: in a transfer study, they improve all nine APO comparisons by 2--9 points and all three GRPO comparisons by 4--8 points under matched optimization budgets. These results establish failures as a shared interface between prompt optimization and data synthesis, and show the benefit of jointly adapting what a model is instructed to do and what it learns from.

Tianyu Yuan, Zhuzhong Qian

Nanjing University

Large Language Model-Guided Optimization Automatic Prompt Optimization Synthetic Data Generation for Language Models

Sep 14, 2026cs.AI

T-GADE: Thermodynamical Generative-AI-Driven Evolution of LLM Artifacts

Integrating evolutionary computation and large language models (LLMs) requires control of population diversity as well as generative capability. Among LLM outputs, those with explicit structure, such as a description paired with code, are structured artifacts; we use artifact for short. We propose T-GADE, which evolves these artifacts by extending thermodynamical genetic algorithms through LLM-based genetic operators and artifact-level diversity evaluation. A common free-energy objective supports generational and steady-state updates, with Fermi-type occupancy excluding repeated genotypes and Bose-type occupancy permitting them. We establish exact one-member removal and conditions for recovering the zero-temperature survival rule of Evolution of Heuristics (EoH). On the online bin-packing task studied in the EoH paper, excess measures relative bin-count overhead above a volume lower bound. Training excess uses search instances; transfer excess uses instances with another bin capacity. Generational Bose-type T-GADE at

T=0.003

reduced median training excess by approximately 29%, from 1.152% to 0.815%, over 20 runs per configuration (two-sided Mann-Whitney

p=0.042

, Cliff's

\delta=0.378

). Validation selection among its two highest-ranked final candidates reached the same median transfer excess as EoH, 0.496%. These results demonstrate the utility of thermodynamical selection and validation-based use of retained artifacts.

Kyoko Ogawa, Naoki Mori

Graduate School of Informatics, Osaka Metropolitan University, Osaka, Japan

Evolutionary Optimization Large Language Model-Guided Optimization Combinatorial Optimization Genetic Algorithms