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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Apr 20, 2026cs.IR

Bayesian Active Learning with Gaussian Processes Guided by LLM Relevance Scoring for Dense Passage Retrieval

While Large Language Models (LLMs) exhibit exceptional zero-shot relevance modeling, their high computational cost necessitates framing passage retrieval as a budget-constrained global optimization problem. Existing approaches passively rely on first-stage dense retrievers, which leads to two limitations: (1) failing to retrieve relevant passages in semantically distinct clusters, and (2) failing to propagate relevance signals to the broader corpus. To address these limitations, we propose Bayesian Active Learning with Gaussian Processes guided by LLM relevance scoring (BAGEL), a novel framework that propagates sparse LLM relevance signals across the embedding space to guide global exploration. BAGEL models the multimodal relevance distribution across the entire embedding space with a query-specific Gaussian Process (GP) based on LLM relevance scores. Subsequently, it iteratively selects passages for scoring by strategically balancing the exploitation of high-confidence regions with the exploration of uncertain areas. Extensive experiments across four benchmark datasets and two LLM backbones demonstrate that BAGEL effectively explores and captures complex relevance distributions and outperforms LLM reranking methods under the same LLM budget on all four datasets.

Junyoung Kim, Anton Korikov, Jiazhou Liang +5

Sungkyunkwan University, Republic of Korea · University of Toronto, Canada

Large Language Model-Guided Optimization Active Learning Dense Retrieval

Apr 20, 2026cs.AI

Co-evolving Agent Architectures and Interpretable Reasoning for Automated Optimization

Automating operations research (OR) with large language models (LLMs) remains limited by hand-crafted reasoning--execution workflows. Complex OR tasks require adaptive coordination among problem interpretation, mathematical formulation, solver selection, code generation, and iterative debugging. To address this limitation, we propose EvoOR-Agent, a co-evolutionary framework for automated optimization. The framework represents agent workflows as activity-on-edge (AOE)-style networks, making workflow topology, execution dependencies, and alternative reasoning paths explicit. On this representation, the framework maintains an architecture graph and evolves a population of reasoning individuals through graph-mediated path-conditioned recombination, multi-granularity semantic mutation, and elitist population update. A knowledge-base-assisted experience-acquisition module further injects reusable OR practices into initialization and semantic variation. Empirical results on heterogeneous OR benchmarks show that the proposed framework consistently improves over zero-shot LLMs, fixed-pipeline OR agents, and representative evolutionary agent frameworks. Case studies and ablation analyses further indicate that explicit architecture evolution and graph-supported reasoning-trajectory search contribute to both performance improvement and structural interpretability. These results suggest that treating agent architectures and reasoning trajectories as evolvable objects provides an effective route toward adaptive and interpretable automated optimization.

Jiahao Huang, Peilan Xu, Xiaoya Nan +1

School of Artificial Intelligence, Nanjing University of Information Science and Technology, Nanjing 210044, China · Guangdong Provincial Key Laboratory of Novel Security Intelligence Technologies, Institute of Cyberspace Security, School of Computer Science and Technology, Harbin Institute of Technology, Shenzhen 518055, Guangdong, China

Evolutionary Optimization Large Language Model-Guided Optimization LLM Agent Orchestration LLM Agents

Apr 19, 2026cs.AI

Compiling Deterministic Structure into SLM Harnesses

Enterprise SLM deployment faces epistemic asymmetry: small models cannot self-correct reasoning errors, while frontier LLMs incur prohibitive costs and data sovereignty risks at scale. We propose Semantic Gradient Descent (SGDe), a teacher-student framework that compiles agentic workflows into discrete execution plans--DAG topologies, system prompts, and deterministic code. The trailing e distinguishes this discrete, compilation-based approach from stochastic gradient descent. Operating in discrete semantic space, a frontier teacher generates natural-language critiques that serve as directional gradients to iteratively refine the SLM's workflow artefacts. We formalise SGDe under PAC learning, establishing sample-complexity bounds that enable convergence with as few as three training examples by leveraging the teacher as a statistical prior. On an adversarially synthesized GSM-Hard test set, compiled workflows achieve 91.3% accuracy at m=5 and 99.3% at m=3--a +26.3% to +34.3% absolute gain over state-of-the-art prompt optimisers. Within harness engineering, SGDe treats deterministic code placement (which subtasks to delegate to Python versus retain as LLM calls) as a trace-driven, per-node optimisation target, generalising static whole-problem offloading in PAL and PoT. The teacher compiles two deterministic structures: capability offloading (delegating subtasks to Python when the SLM is unreliable) and structural consensus (wrapping variance-sensitive steps in fan-out/fan-in subgraphs with deterministic voting).

Zan Kai Chong, Hiroyuki Ohsaki, Bryan Ng

School of Science and Technology Kwansei Gakuin University Japan · School of Engineering & Computer Science Victoria University of Wellington New Zealand

Large Language Model-Guided Optimization Small Language Models

Apr 19, 2026cs.AI

LLM-Guided Strategy Synthesis for Scalable Equality Saturation

Equality saturation (EqSat) is a powerful optimization paradigm that compactly represents many equivalent programs in an e-graph and delays commitment until extraction selects a lowest-cost program. Making EqSat effective, therefore, requires not only domain-specific rewrite rules but also domain-specific strategies. Today, much of this strategy design is still manual, making it a major obstacle to automating e-graph-based compilers. Recent rule-synthesis frameworks can automatically infer large rewrite vocabularies from semantic specifications, but they also enlarge the rewrite space and further exacerbate e-graph explosion. Although large language models (LLMs) make automated strategy synthesis plausible, directly evolving backend code remains ineffective in practice. The search lacks reusable strategy abstractions and actionable feedback, and can easily trigger e-graph explosion or converge to poor designs. We present EggMind, an LLM-guided, end-to-end framework for synthesizing reusable EqSat strategies. At its core, EggMind introduces a domain-specific language, EqSatL, to represent EqSat strategies as explicit and inspectable artifacts. It then proposes an LLM-guided agentic workflow, equipped with novel techniques including proof-derived rewrite motif caching and tractability guidance, to search efficiently for high-quality strategies while keeping synthesis stable under e-graph growth. Evaluation shows that EggMind substantially improves the resource-quality trade-off on vectorization benchmarks, reducing final cost by 45.1% and peak RAM by 69.1% relative to full EqSat. We further show that the same methodology transfers effectively to an XLA-based tensor compiler, and demonstrate its practical potential in a logic-synthesis case study with augmented rewrite spaces.

Chenyun Yin, Youwei Xiao, Yuze Luo +2

Peking University Beijing, China · School of Integrated Circuits Peking University Beijing, China

Large Language Model-Guided Optimization Program Synthesis

Apr 19, 2026cs.LG

RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design

We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of controlled exploration and exploitation, using rewards computed from RosettaFold3, a structure prediction model, under a strict computational budget. In a large-scale evaluation, we apply RosettaSearch to 400 suboptimal sequences generated by LigandMPNN (a state-of-the-art model trained for protein sequence design), recovering high-fidelity designs that LigandMPNN's single-pass decoding fails to produce. RosettaSearch's designs show improvements in structural fidelity metrics ranging between 18% to 68%, translating to a 2.5x improvement in design success rate. We observe that these gains in success rate are robust when RosettaSearch-designed sequences are evaluated with an independent structure prediction oracle (Chai-1) and generalize across two distinct LLM families (o4-mini and Gemini-3), with performance scaling consistently with reasoning capability. We further demonstrate that RosettaSearch improves the sequence fidelity of ProteinMPNN designs for de novo backbones from the Dayhoff atlas, showing that the approach generalizes beyond native protein structures to computationally generated backbones. We also demonstrate a multi-modal extension of RosettaSearch with vision-language models, where images of predicted protein structures are used as feedback to incorporate structural context to guide protein sequence generation. To our knowledge, this is the first large-scale demonstration that LLMs can serve as effective generative optimizers for backbone-conditioned protein sequence design, yielding systematic gains without any model retraining.

Meghana Kshirsagar, Allen Nie, Ching-An Cheng +5

AI for Good, Microsoft Redmond · Google DeepMind · Google Research +3

Inference-Time Search Large Language Model-Guided Optimization Molecular Generation Protein Design Multi-Objective Optimization

Apr 17, 2026cs.CL

AdaExplore: Failure-Driven Adaptation and Diversity-Preserving Search for Efficient Kernel Generation

Recent large language model (LLM) agents have shown promise in using execution feedback for test-time adaptation. However, robust self-improvement remains far from solved: most approaches still treat each problem instance independently, without accumulating reusable knowledge. This limitation is particularly pronounced in domain-specific languages such as Triton, which are underrepresented in LLM pretraining data. Their strict constraints and non-linear optimization landscape further make naive generation and local refinement unreliable. We propose AdaExplore, an agent framework that enables self-improvement via accumulated execution feedback for performance-critical kernel code generation through two complementary stages: failure-driven adaptation and diversity-preserving search, jointly improving correctness and optimization performance without additional fine-tuning or external knowledge. In the adaptation stage, the agent synthesizes tasks and converts recurring failures into a reusable memory of validity rules, helping subsequent generations remain within the feasible set. In the search stage, the agent organizes candidate kernels as a tree and alternates between small local refinements and larger structural regeneration, allowing it to explore the optimization landscape beyond local optima. Experiments on kernel runtime optimization benchmarks validate these gains: AdaExplore achieves 3.12x and 1.72x speedups on KernelBench Level-2 and Level-3, respectively, within 100 steps, and continues to improve with additional computation.

Weihua Du, Jingming Zhuo, Yixin Dong +9

1Carnegie Mellon University · University of Washington · 3Arm Ltd.

Test-Time Adaptation GPU Kernel Optimization Large Language Model-Guided Optimization GPU Kernel Generation Self-Improving Agents Memory-Augmented Language Model Agents

Apr 17, 2026cs.LG

LLM as a Tool, Not an Agent: Code-Mined Tree Transformations for Neural Architecture Search

Neural Architecture Search (NAS) aims to automatically discover high-performing deep neural network (DNN) architectures. However, conventional algorithm-driven NAS relies on carefully hand-crafted search spaces to ensure executability, which restricts open-ended exploration. Recent coding-based agentic approaches using large language models (LLMs) reduce manual design, but current LLMs struggle to reliably generate complex, valid architectures, and their proposals are often biased toward a narrow set of patterns observed in their training data. To bridge reliable algorithmic search with powerful LLM assistance, we propose LLMasTool, a hierarchical tree-based NAS framework for stable and open-ended model evolution. Our method automatically extracts reusable modules from arbitrary source code and represents full architectures as hierarchical trees, enabling evolution through reliable tree transformations rather than code generation. At each evolution step, coarse-level planning is governed by a diversity-guided algorithm that leverages Bayesian modeling to improve exploration efficiency, while the LLM resolves the remaining degrees of freedom to ensure a meaningful evolutionary trajectory and an executable generated architecture. With this formulation, instead of fully agentic LLM approaches, our method explores diverse directions beyond the inherent biases in the LLM. Our method improves over existing NAS methods by 0.69, 1.83, and 2.68 points on CIFAR-10, CIFAR-100, and ImageNet16-120, demonstrating its effectiveness.

Masakazu Yoshimura, Zitang Sun, Yuiko Sakuma +3

Sony Group Corporation, Tokyo, Japan

Large Language Model-Guided NAS Large Language Model-Guided Optimization Neural Architecture Search

Apr 17, 2026cs.AI

Bilevel Optimization of Agent Skills via Monte Carlo Tree Search

Agent \texttt{skills} are structured collections of instructions, tools, and supporting resources that help large language model (LLM) agents perform particular classes of tasks. Empirical evidence shows that the design of \texttt{skills} can materially affect agent task performance, yet systematically optimizing \texttt{skills} remains challenging. Since a \texttt{skill} comprises instructions, tools, and supporting resources in a structured way, optimizing it requires jointly determining both the structure of these components and the content each component contains. This gives rise to a complex decision space with strong interdependence across structure and components. We therefore represent these two coupled decisions as \texttt{skill} structure and component content, and formulate \texttt{skill} optimization as a bilevel optimization problem. We propose a bilevel optimization framework in which an outer loop employs Monte Carlo Tree Search to determine the \texttt{skill} structure, while an inner loop refines the component content within the structure selected by the outer loop. In both loops, we employ LLMs to assist the optimization procedure. We evaluate the proposed framework on an open-source Operations Research Question Answering dataset, and the experimental results suggest that the bilevel optimization framework improves the performance of the agents with the optimized \texttt{skill}.

Chenyi Huang, Haoting Zhang, Jingxu Xu +2

Department of Mathematics National University of Singapore Singapore · Department of Industrial Engineering and Operations Research University of California at Berkeley CA, USA · Department of Decision, Operation and Technology The Chinese University of Hong Kong CHINA

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

Apr 17, 2026cs.AR

HYPERHEURIST: A Simulated Annealing-Based Control Framework for LLM-Driven Code Generation in Optimized Hardware Design

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

Shiva Ahir, Prajna Bhat, Alex Doboli

Department of ECE

Large Language Model-Guided Optimization Code Generation Multi-Objective Optimization LLM Code Generation

Apr 16, 2026cs.DC

Xe-Forge: Multi-Stage LLM-Powered Kernel Optimization for Intel GPU

Porting deep learning algorithms to new hardware accelerators requires developers to repeatedly apply the same low-level optimizations -- quantization, memory access coalescing, tile size tuning, and architecture-specific workarounds -- to every Triton kernel in their code-base. This manual, repetitive effort is a major bottleneck: each kernel demands the same cycle of trial-and-error profiling against hardware constraints that vary across devices, yet the underlying optimization patterns remain largely consistent. We present Xe-Forge, a multi-stage LLM-powered pipeline that automates this process for Intel GPU. Given a functionally correct Triton kernel, the system applies up to nine optimization stages -- from algorithmic restructuring and operator fusion through block pointer modernization, GPU-specific tuning, and open-ended discovery -- each driven by a Chain-of-Verification-and-Refinement (CoVeR) agent that generates candidates, validates them on real hardware, and iterates on failures. A curated knowledge base encodes Intel GPU constraints (power-of-two warp counts, GRF modes, SLM sizing) that are absent from LLM training data, keeping the model within architecturally valid bounds. We evaluate Xe-Forge on 97 Level-2 KernelBench kernels and Flash Attention on the Intel Arc Pro B70, achieving a 1.17x geometric mean speedup over PyTorch eager with 67% of kernels improving, nine kernels exceeding 5x (up to 82x), and 2--13.3x speedups on Flash Attention across all tested configurations without regression -- demonstrating that structured domain knowledge with hardware-in-the-loop verification can systematically eliminate the repetitive porting effort that currently gates algorithm deployment on new accelerators.

Marcin Spoczynski, Daniel Fleischer, Moshe Berchansky +5

Intel Corporation

GPU Kernel Optimization GPU Acceleration High-Performance Computing Large Language Model-Guided Optimization

Apr 16, 2026cs.AI

Dr. RTL: Autonomous Agentic RTL Optimization through Tool-Grounded Self-Improvement

Recent advances in large language models (LLMs) have sparked growing interest in automatic RTL optimization for better performance, power, and area (PPA). However, existing methods are still far from realistic RTL optimization. Their evaluation settings are often unrealistic: they are tested on manually degraded, small-scale RTL designs and rely on weak open-source tools. Their optimization methods are also limited, relying on coarse design-level feedback and simple pre-defined rewriting rules. To address these limitations, we present Dr. RTL, an agentic framework for RTL timing optimization in a realistic evaluation environment, with continual self-improvement through reusable optimization skills. We establish a realistic evaluation setting with more challenging RTL designs and an industrial EDA workflow. Within this setting, Dr. RTL performs closed-loop optimization through a multi-agent framework for critical-path analysis, parallel RTL rewriting, and tool-based evaluation. We further introduce group-relative skill learning, which compares parallel RTL rewrites and distills the optimization experience into an interpretable skill library. Currently, this library contains 47 pattern--strategy entries for cross-design reuse to improve PPA and accelerate convergence, and it can continue evolving over time. Evaluated on 20 real-world RTL designs, Dr. RTL achieves average WNS/TNS improvements of 21%/17% with a 6% area reduction over the industry-leading commercial synthesis tool.

Wenji Fang, Yao Lu, Shang Liu +5

Hong Kong University of Science and Technology (HKUST)

Large Language Model-Guided Optimization Electronic Design Automation LLM Agent Skill Learning

Apr 16, 2026cs.AI

Prompt Optimization Is a Coin Flip: Diagnosing When It Helps in Compound AI Systems

Prompt optimization in compound AI systems is statistically indistinguishable from a coin flip: across 72 optimization runs on Claude Haiku 4.5 (6 methods

\times

4 tasks

\times

3 repeats), 49% score below zero-shot; on Amazon Nova Lite, the failure rate is even higher. Yet on one task, all six methods improve over zero-shot by up to

+6.8

points. What distinguishes success from failure? We investigate with 18,000 grid evaluations and 144 optimization runs, testing two assumptions behind end-to-end optimization tools like TextGrad and DSPy, in the order they must be answered: (A) agent prompts interact, requiring joint rather than independent optimization, and (B) individual prompts are worth optimizing at all. Interaction effects are never significant (

p > 0.52

, all

F < 1.0

), and optimization helps only when the task has exploitable output structure: a format the model can produce but does not default to. We further give a mechanistic account: instruction-tuning compresses input phrasing into a narrow output distribution, eliminating the very phrasing-sensitivity that joint optimization assumes. We provide a two-stage diagnostic: an $80 ANOVA pre-test for agent coupling, and a 10-minute headroom test that predicts whether optimization is worthwhile, turning a coin flip into an informed decision.

Xing Zhang, Guanghui Wang, Yanwei Cui +4

AWS Generative AI Innovation Center · HSBC Holdings Plc., HSBC Technology Center, China.

Prompt Sensitivity Large Language Model-Guided Optimization Automatic Prompt Optimization

Apr 10, 2026cs.LG

Structured Progressive Knowledge Activation for LLM-Driven Neural Architecture Search

This paper focuses on a key challenge in Neural Architecture Search (NAS): integrating established architectural knowledge while exploring new designs under expensive evaluations. Large language models (LLMs) are a promising assistant for NAS because they can translate rich architectural and coding priors into executable code edits. However, in practice, seemingly local revisions often propagate into non-local behavioral and performance shifts because a single edit can inadvertently couple multiple interacting functional factors, a phenomenon we refer to as functional entanglement. To make LLM knowledge usable under such entanglement, we propose Structured Progressive Knowledge Activation (SPARK), which activates relevant priors by explicitly selecting the functional factor to modify and conditioning the edit on that factor. This factor-conditioned editing reduces entangled side effects and yields more targeted, reliable architecture modifications. On CLRS-DFS, SPARK achieves a 28.1x sample-efficient architecture evolution speedup and yields a 22.9% relative improvement in OOD accuracy. Our code is available at https://github.com/AIM-ResearchLab/SPARK.

Zhen Liu, Yuhan Liu, Jinjun Wang +3

State Key Laboratory of Human-Machine Hybrid Augmented Intelligence, Institute of Artificial Intelligence and Robotics, Xi’an Jiaotong University. · Zhongguancun Academy, Beijing, China. · MiLM Plus, Xiaomi Inc. +1

Large Language Model-Guided NAS Large Language Model-Guided Optimization Neural Architecture Search

Apr 9, 2026cs.LG

LLM-Guided Dynamic Action Spaces for Synthesizable Molecular Optimization

Synthesizable molecular optimization seeks to improve target properties while ensuring that molecular modifications follow feasible synthetic pathways. Existing synthesis-aware methods typically rely on exploring a large space of candidate transformations defined by reaction templates and purchasable building blocks. This search becomes even more challenging when property improvement requires multiple reaction steps, as the space expands further along the pathway. To address this challenge, we introduce MolReAct, which reformulates molecular optimization as search over compact reaction spaces proposed by a tool-augmented large language model (LLM). At each step, the LLM combines its prior chemical knowledge with cheminformatics tools to identify a molecule-specific set of compatible reactions, preserving synthesizability while making multi-step optimization feasible. Given this compact action space, we further leverage Group Relative Policy Optimization (GRPO) with the terminal oracle reward to improve long-term decision-making over multiple reaction steps. Across diverse molecular optimization tasks, MolReAct achieves the highest Top-10 score on 11 of 14 tasks and the best sample efficiency on 12 of 14 tasks, outperforming existing baselines under limited oracle budgets. Beyond these gains, MolReAct also provides each optimized molecule with a template-grounded synthetic pathway.

Tao Li, Kaiyuan Hou, Tuan Vinh +4

Department of Computer Science, Emory University · School of Computer Science, Carnegie Mellon University · MRC Brain Network Dynamics Unit, University of Oxford +3

Molecular Optimization Large Language Model-Guided Optimization

Apr 6, 2026cs.CL

Document Optimization for Black-Box Retrieval via Reinforcement Learning

Generative large language models (LLMs) are increasingly used as inference-time components in retrieval pipelines, for tasks such as query rewriting and document reranking. However, these online approaches place costly autoregressive computation directly on the latency-critical retrieval path. We explore an alternative axis: using LLMs to improve documents instead, rewriting them into better representations and shifting computation offline. Yet producing a useful document rewrite is not straightforward: retrieval is inherently discriminative, so an effective rewrite must make a document more similar to relevant queries than competing candidates under the retriever's notion of similarity. We therefore formulate document transformation as an optimization problem, directly training an LLM or VLM to produce rewrites that improve retrieval. Our approach, DocOpt, uses GRPO with retriever ranking improvements as rewards, requires only black-box access to retrieval ranks, and applies across single-vector, multi-vector, and lexical retrievers. We evaluate zero-shot LLM rewriting and DocOpt on code and visual retrieval tasks, finding that document rewriting can improve retrieval and that optimizing rewrites yields further gains. For example, OpenAI text-embedding-3-small achieves 58.35 nDCG@5 on average with direct retrieval; zero-shot rewriting improves this to 60.83 with GPT-5.4-mini, 63.75 with Claude Haiku 4.5, and 64.23 with Qwen3. DocOpt further improves performance to 67.94, surpassing the 6.5X more expensive text-embedding-3-large retriever at 66.15.

Omri Uzan, Ron Polonsky, Douwe Kiela +1

Stanford University · ContextualAI

RL for IR Large Language Model-Guided Optimization

Apr 2, 2026cs.AI

CORAL: Towards Autonomous Multi-Agent Evolution for Open-Ended Discovery

Large language model (LLM)-based evolution is a promising approach for open-ended discovery, where progress requires sustained search and knowledge accumulation. Existing methods still rely heavily on fixed heuristics and hard-coded exploration rules, which limit the autonomy of LLM agents. We present CORAL, the first framework for autonomous multi-agent evolution on open-ended problems. CORAL replaces rigid control with long-running agents that explore, reflect, and collaborate through shared persistent memory, asynchronous multi-agent execution, and heartbeat-based interventions. It also provides practical safeguards, including isolated workspaces, evaluator separation, resource management, and agent session and health management. Evaluated on diverse mathematical, algorithmic, and systems optimization tasks, CORAL sets new state-of-the-art results on 10 tasks, achieving 3-10 times higher improvement rates with far fewer evaluations than fixed evolutionary search baselines across tasks. On Anthropic's kernel engineering task, four co-evolving agents improve the best known score from 1363 to 1103 cycles. Mechanistic analyses further show how these gains arise from knowledge reuse and multi-agent exploration and communication. Together, these results suggest that greater agent autonomy and multi-agent evolution can substantially improve open-ended discovery. Code is available at https://github.com/Human-Agent-Society/CORAL.

Ao Qu, Han Zheng, Zijian Zhou +14

MIT · Singapore-MIT Alliance for Research and Technology · NUS +7

Large Language Model-Guided Optimization Multi-Agent Collaboration Autonomous Scientific Discovery Self-Evolving Agents Memory-Augmented Language Model Agents

Mar 23, 2026cs.RO

Programming Manufacturing Robots with Imperfect AI: LLMs as Tuning Experts for FDM Print Configuration Selection

We use fused deposition modeling (FDM) 3D printing as a case study of how manufacturing robots can use imperfect AI. In FDM, print configuration strongly affects output quality. Yet, novice users typically rely on default configurations, trial-and-error, or direct recommendations from generic AI models (e.g., ChatGPT). These strategies can produce complete prints, but they do not reliably meet specific objectives. We present a modular approach that treats an LLM as a source of tuning expertise. We embed this source of expertise within a Bayesian optimization loop. An approximate evaluator scores each candidate print configuration and returns structured diagnostics, which the LLM uses to propose natural-language adjustments that are compiled into machine-actionable guidance for optimization. On 100 Thingi10k parts, our LLM-guided loop achieves the best configuration on 78% objects with 0% likely-to-fail cases, while direct AI model recommendations are rarely best and exhibit 15% likely-to-fail cases. These results suggest that LLMs provide more value as constrained decision modules in optimization loops than as end-to-end oracles for print configuration selection. We expect this result to extend to broader LLM-based robot programming.

Ekta U. Samani, Christopher G. Atkeson

Robotics Institute at Carnegie Mellon University

Manufacturing Large Language Model-Guided Optimization Robotics Additive Manufacturing

Mar 12, 2026cs.DC

KernelFoundry: Hardware-aware evolutionary GPU kernel optimization

GPU kernel optimization challenges LLMs beyond standard coding tasks, as it requires an understanding of hardware architecture, parallel computing optimization strategies, and profiling outputs. However, most existing approaches leveraging LLMs for kernel generation apply standard prompting and feedback loops, considering hardware only through profiling feedback. We introduce KernelFoundry, an evolutionary framework that efficiently explores the space of GPU kernels through (1) MAP-Elites quality diversity search with kernel-specific behavioral dimensions to sustain exploration; (2) meta-prompt evolution that co-evolves prompts with kernels to uncover task-specific optimization strategies, and (3) a template-based parameter optimization approach to tune kernels to inputs and hardware. We evaluate this framework on Kernel-Bench, robust-kbench and custom tasks, generating SYCL kernels as a cross-platform GPU programming paradigm, and CUDA kernels for comparison to prior work. Our approach consistently outperforms the baseline methods and achieves an average speedup of 2.3 on KernelBench for SYCL. Moreover, KernelFoundry is implemented as a distributed framework with remote access to diverse hardware, allowing quick benchmarking and featuring a flexible user input layer to support kernel generation for a wide range of real use cases beyond benchmarking.

Nina Wiedemann, Quentin Leboutet, Michael Paulitsch +2

Intel Corporation

GPU Kernel Optimization GPU Acceleration Evolutionary Optimization Large Language Model-Guided Optimization LLM-Based Program Synthesis GPU Kernel Generation+1

Feb 13, 2026cs.AI

NeuroWeaver: An Autonomous Evolutionary Agent for Exploring the Programmatic Space of EEG Analysis Pipelines

Although foundation models have achieved remarkable success in general domains, applying them to electroencephalography (EEG) analysis is constrained by substantial data requirements and large parameter counts, which incur prohibitive computational costs and impede deployment in resource-constrained clinical environments. General-purpose automated machine learning frameworks are likewise ill-suited to this domain, since exploration within an unbounded programmatic space fails to incorporate essential neurophysiological priors and frequently yields neuroscientifically implausible solutions. We therefore propose NeuroWeaver, a unified autonomous evolutionary agent that generalizes across diverse EEG datasets and tasks by reformulating pipeline engineering as a discrete constrained optimization problem solved through large language model (LLM)-driven generation of executable code. A Domain-Informed Subspace Initialization confines the search to a neuroscientifically plausible manifold, while a Multi-Objective Evolutionary Optimization dynamically balances performance, novelty, and efficiency via self-reflective refinement. Across five heterogeneous benchmarks, NeuroWeaver synthesizes lightweight pipelines that outperform state-of-the-art task-specific methods on nearly all metrics and attain accuracy comparable to large-scale foundation models, even surpassing them on the HMC and Workload benchmarks with only

0.18

M and

0.011

M parameters, respectively.

Guoan Wang, Shihao Yang, Feng Liu

Department of Industrial and Systems Engineering, Rutgers, The State University of New Jersey, 96 Frelinghuysen Road, Piscataway, NJ 08854, USA

Evolutionary Optimization EEG Decoding Large Language Model-Guided Optimization LLM-Based Program Synthesis Automated Machine Learning

Feb 13, 2026cs.IR

Self-EvolveRec: Self-Evolving Recommender Systems with LLM-based Directional Feedback

Traditional methods for automating recommender system design, such as Neural Architecture Search (NAS), are often constrained by a fixed search space defined by human priors, limiting innovation to pre-defined operators. While recent LLM-driven code evolution frameworks shift fixed search space target to open-ended program spaces, they primarily rely on scalar metrics (e.g., NDCG, Hit Ratio) that fail to provide qualitative insights into model failures or directional guidance for improvement. To address this, we propose Self-EvolveRec, a novel framework that establishes a directional feedback loop by integrating a User Simulator for qualitative critiques and a Model Diagnosis Tool for quantitative internal verification. Furthermore, we introduce a Diagnosis Tool - Model Co-Evolution strategy to ensure that evaluation criteria dynamically adapt as the recommendation architecture evolves. Extensive experiments demonstrate that Self-EvolveRec significantly outperforms state-of-the-art NAS and LLM-driven code evolution baselines in both recommendation performance and user satisfaction. Our code is available at https://github.com/Sein-Kim/self_evolverec.

Sein Kim, Sangwu Park, Hongseok Kang +6

KAIST · Microsoft

Large Language Model-Guided Optimization LLM-Based Program Synthesis Recommender Systems

Feb 10, 2026cs.NE

ImprovEvolve: Basin-Hopping Meets LLM-Guided Evolutionary Search

LLM-guided evolutionary computation, most notably AlphaEvolve, has been remarkably successful in discovering novel mathematical constructions by solving challenging optimization problems. The standard approach is to evolve a monolithic program that directly outputs a candidate solution. We present ImprovEvolve, an algorithmic alternative that drastically reduces cognitive load on the LLM. Instead of prompting the model for an end-to-end optimizer, we evolve a program with three specialized operators of initialization, local improvement, and perturbation. We then approach the optimum by iteratively applying local improvements and intensity-scheduled perturbations, effectively driving a basin-hopping search with LLM-evolved subroutines. For hexagon in hexagon packing, ImprovEvolve discovers new state-of-the-art packings of 11, 12, 15, and 16 hexagons, and additionally for 14, 17, and 23 hexagons after minimal expert tuning of the generated code. For the second autocorrelation inequality, the evolved and human-scaled program pushes the lower bound from 0.96102 to 0.96258. For spherical codes, the ImprovEvolve program lowers the best-known maximum cosine for the majority of 90 randomly chosen diverse state-of-the-art spherical codes, achieving relative improvements of up to 2.4%.

Alexey Kravatskiy, Valentin Khrulkov, Ivan Oseledets

1MIRIAI, Russia · 2FusionBrain Lab, Russia · 3AXXX, Russia +1

Automated Algorithm Discovery Evolutionary Optimization Metaheuristic Optimization Large Language Model-Guided Optimization Combinatorial Optimization Global Optimization+1

Jan 14, 2026cs.CL

Test-Time Detoxification without Training or Learning Anything

Large language models can produce toxic or inappropriate text even for benign inputs, creating risks when deployed at scale. Detoxification is therefore important for safety and user trust, particularly when we want to reduce harmful content without sacrificing the model's generation quality. Many existing approaches rely on model retraining, gradients, or learned auxiliary components, which can be costly and may not transfer across model families or to truly black-box settings. We introduce a test-time procedure that approximates the gradient of completion toxicity with respect to the input embeddings and uses a small number of descent steps to steer generation toward less toxic continuations. This is achieved with zeroth-order optimization that requires only access to input embeddings, a toxicity scoring function, and forward evaluations of the model. Empirically, the approach delivers robust toxicity reductions across models and prompts and, in most settings, achieves the best overall toxicity-quality trade-off. More broadly, our work positions word embeddings as effective control variables and encourages wider use of black-box optimization to guide autoregressive language models toward scalable, safer text generation, without requiring any training or access to intermediate computations.

Baturay Saglam, Dionysis Kalogerias

Department of Electrical and Computer Engineering, Yale University, New Haven, CT.

Large Language Model-Guided Optimization LLM Safety

Dec 29, 2025cs.LG

KernelEvolve: Scaling Agentic Kernel Coding for Heterogeneous AI Accelerators at Meta

Making deep learning recommendation model (DLRM) training and inference fast and efficient is important. However, this presents three key system challenges - model architecture diversity, kernel primitive diversity, and hardware generation and architecture heterogeneity. This paper presents KernelEvolve-an agentic kernel coding framework-to tackle heterogeneity at-scale for DLRM. KernelEvolve is designed to take kernel specifications as input and automate the process of kernel generation and optimization for recommendation model across heterogeneous hardware architectures. KernelEvolve does so by operating at multiple programming abstractions, from Triton and CuTe DSL to low-level hardware agnostic languages, spanning the full hardware-software optimization stack. The kernel optimization process is described as graph-based search with selection policy, universal operator, fitness function, and termination rule, dynamically adapts to runtime execution context through retrieval-augmented prompt synthesis. We designed, implemented, and deployed KernelEvolve to optimize a wide variety of production recommendation models across generations of NVIDIA and AMD GPUs, as well as Meta's AI accelerators. We validate KernelEvolve on the publicly-available KernelBench suite, achieving 100% pass rate on all 250 problems across three difficulty levels, and 160 PyTorch ATen operators across three heterogeneous hardware platforms, demonstrating 100% correctness. KernelEvolve reduces development time from weeks to hours and achieves substantial performance improvements over PyTorch baselines across diverse production use cases and for heterogeneous AI systems at-scale. Beyond performance efficiency improvements, KernelEvolve significantly mitigates the programmability barrier for new AI hardware by enabling automated kernel generation for in-house developed AI hardware.

Gang Liao, Hongsen Qin, Ying Wang +36

KernelEvolve Team, Meta Platforms

GPU Kernel Optimization GPU Acceleration Large Language Model-Guided Optimization Heterogeneous Computing GPU Kernel Generation

Dec 19, 2025quant-ph

Shuttling Compiler for Trapped-Ion Quantum Computers Based on Fine-Tuned Large Language Models

In trapped-ion quantum computers, qubits must be shuttled between segments to interact. The routing logic that schedules these movements is written by hand for every new trap architecture. We present shuttling compilers based on five large language models (LLMs). Each LLM is fine-tuned on shuttling schedules produced by hand-coded heuristics for linear and branched one-dimensional trap architectures. We investigate how the shuttling operation counts of their schedules compare with those of the heuristics and how far they generalize to unseen architectures. For circuits of up to 16 qubits, the fine-tuned LLMs generate valid schedules on both training architectures, more often the fewer qubits a circuit has. In 12% of the compilations yielding a schedule, the best of ten runs needs up to 21% fewer operations than the heuristic baselines, after a rule-based post-processing step. A single run of one fine-tuned LLM produces a valid shuttling schedule for a previously unseen four-way branched architecture. This is preliminary evidence of cross-architecture generalization. On two other unseen architectures no LLM produces a valid schedule. Thus, LLM-learned shuttling compilation is feasible, and we show how far it currently reaches.

Fabian Kreppel, Reza Salkhordeh, Ferdinand Schmidt-Kaler +1

Institute of Computer Science, Johannes Gutenberg University, Staudingerweg 9, 55128 Mainz, Germany · Institute of Physics, Johannes Gutenberg University, Staudingerweg 7, 55128 Mainz, Germany · Department of Computer Science, Saarland University, Saarland Informatics Campus, E1 1, 66123 Saarbrücken, Germany

Quantum Circuit Compilation LLM Fine-Tuning Large Language Model-Guided Optimization

Dec 9, 2025cs.SE

Evolving Excellence: Automated Optimization of LLM-based Agents

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the \emph{ALE Agent} for competitive programming on AtCoder Heuristic Contest, achieving a \textbf{

13.6\%

improvement} in acceptance rate; the \emph{Mini-SWE Agent} for code optimization on SWE-Perf, with a statistically significant \textbf{10.1% performance gain}; and the \emph{CrewAI Agent} for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant \textbf{

36.9\%

reduction} in the number of tokens required for evaluation. We also evaluate the \emph{MathTales-Teacher Agent} powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a \textbf{22% accuracy improvement} and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

Paul Brookes, Vardan Voskanyan, Rafail Giavrimis +18

TurinTech AI, London, UK · University of Surrey, Guildford, United Kingdom · University of Leeds, Leeds, UK +4

Large Language Model-Guided Optimization LLM Agent Workflow Optimization LLM Agents Genetic Algorithms

Dec 8, 2025cs.LG

Towards Training-free Automatic Proxy Discovery via Large Language Models for Mixed Precision Quantization

Mixed-Precision Quantization (MPQ) liberates Deep Neural Networks (DNNs) from the Out-Of-Memory (OOM) bottleneck and has garnered increasing research attention. However, conventional methods either rely on costly differentiable optimization search, which is neither efficient nor flexible, or learn a quantized DNN from a proxy (e.g., HAWQ) manually designed by human experts, which is labor-intensive and requires extensive expert knowledge. Can we design a proxy without involving any human experts or training? In this paper, we provide an affirmative answer by proposing a novel Large Language Model (LLM)-driven Training-free Automatic Proxy (dubbed TAP) discovery framework. It reforms the design paradigm of MPQ by utilizing LLMs and evolutionary search strategies to automatically find superior TAP tailored for MPQ. In addition, to bridge the gap between black-box LLMs and the challenging MPQ task, we introduce a lightweight Direct Preference Optimization (DPO)-based strategy controller that dynamically reweights the selection probabilities of the three prompt templates for evolutionary search strategies according to fitness signals, without fine-tuning the LLM. This forms a task-aware feedback loop that improves proxy generation across evolutions. Extensive experiments on mainstream benchmarks demonstrate that TAP achieves state-of-the-art performance. Finally, we believe that our TAP will significantly contribute to the MPQ community by providing a new perspective on LLM-driven design algorithms.

Haidong Kang, Jun Du, Guo Yu

School of Computer and Communication Engineering, Northeastern University · School of Software Engineering, Beijing Jiaotong University

Mixed-Precision Quantization Large Language Model-Guided Optimization

Dec 2, 2025cs.LG

CUDA-L2: Surpassing cuBLAS Performance for Matrix Multiplication through Reinforcement Learning

In this paper, we propose CUDA-L2, a system that combines large language models (LLMs) and reinforcement learning (RL) to automatically optimize Half-precision General Matrix Multiply (HGEMM) CUDA kernels. Using CUDA execution speed as the RL reward, CUDA-L2 automatically optimizes HGEMM kernels across 1,000 configurations. CUDA-L2 systematically outperforms major matmul baselines to date, from the widely-used torch.matmul to state-of-the-art Nvidia's closed-source libraries, i.e., cuBLAS, cuBLASLt. In offline mode, where kernels are executed consecutively without time intervals, CUDA-L2 yields +22.0% over torch.matmul on average; +19.2% over cuBLAS using the optimal layout configuration (normal-normal NN and transposed-normal TN); +16.8% over cuBLASLt-heuristic, which queries cuBLASLt library and selects the algorithm based on the heuristic's suggestion; and +11.4% over the most competitive cuBLASLt-AutoTuning model, which selects the fastest algorithm from up to 100 candidates from cuBLASLt's suggestions. In server mode, where kernels are executed at random intervals simulating real-time inference, the speedups further increase to +28.7%, +26.0%, +22.4%, and +15.9% for torch.matmul, cuBLAS, cuBLASLt-heuristic, and cuBLASLt-AutoTuning respectively. CUDA-L2 shows that even the most performance-critical, heavily-optimized kernels like HGEMM can be improved through LLM-guided RL automation by systematically exploring configuration spaces at scales impractical for humans. Project and code can be found at github.com/deepreinforce-ai/CUDA-L2

Songqiao Su, Xiaoya Li, Albert Wang +3

DeepReinforce Team

Reinforcement Learning GPU Kernel Optimization GPU Acceleration High-Performance Computing Large Language Model-Guided Optimization GPU Kernel Generation

Sep 10, 2025cs.NE

A Systematic Survey on Large Language Models for Evolutionary Optimization: From Modeling to Solving

Large language models (LLMs) are increasingly integrated with evolutionary computation to support optimization tasks. This survey primarily focuses on evolutionary optimization, i.e., optimization based on evolutionary computation. For brevity, we use the term optimization throughout to denote this scope. However, existing surveys typically examine isolated roles of LLMs and do not provide a unified view that connects optimization modeling with optimization solving. To address this gap, we systematically review recent developments through a workflow-oriented framework. First, we organize the literature into two primary stages: LLMs for optimization modeling and LLMs for optimization solving (in this survey, the terms optimization modeling and optimization solving are used as concise forms of optimization problem modeling and optimization problem solving, respectively). Second, we divide the solving stage into three paradigms according to the role of the LLM: stand-alone optimizers, low-level components embedded in optimization algorithms, and high-level managers for algorithm selection and generation. Third, we analyze representative methods, identify their technical limitations, and clarify their relationships with traditional optimization approaches. We further substantiate this taxonomy through benchmark systematization, baseline comparisons, and practitioner-oriented guidance, and we review interdisciplinary applications across the natural sciences, engineering, and machine learning. Based on the resulting analysis, we identify research directions toward dynamic, self-evolving, and agentic optimization ecosystems. An up-to-date collection of related literature is maintained at https://github.com/ishmael233/LLM4OPT.

Yisong Zhang, Ran Cheng, Guoxing Yi +1

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

Aug 30, 2025cs.DB

Access Paths for Efficient Ordering with Large Language Models

In this work, we present the \texttt{LLM ORDER BY} semantic operator as a logical abstraction and conduct a systematic study of its physical implementations. First, we propose several improvements to existing semantic sorting algorithms and introduce a semantic-aware external merge sort algorithm. Our extensive evaluation reveals that no single implementation offers universal optimality on all datasets. From our evaluations, we observe a general scaling relationship between sorting cost and the ordering quality for comparison-based algorithms. Building on these insights, we design a budget-aware optimizer that utilizes heuristic rules, LLM-as-Judge evaluation, and consensus aggregation to dynamically select the near-optimal access path for LLM ORDER BY. In our extensive evaluations, our optimizer consistently achieves ranking accuracy on par with or superior to the best static methods across all benchmarks. We believe that this work provides foundational insights into the principled optimization of semantic operators essential for building robust, large-scale LLM-powered analytic systems.

Fuheng Zhao, Jiayue Chen, Yiming Pan +7

1Snowflake Inc. · University of Chicago · 3UC Los Angeles +1

Large Language Model-Guided Optimization

Jul 18, 2025cs.AI

CUDA-L1: Improving CUDA Optimization via Contrastive Reinforcement Learning

The exponential growth in demand for GPU computing resources has created an urgent need for automated CUDA optimization strategies. While recent advances in LLMs show promise for code generation, current SOTA models achieve low success rates in improving CUDA speed. In this paper, we introduce CUDA-L1, an automated reinforcement learning framework for CUDA optimization that employs a novel contrastive RL algorithm. CUDA-L1 achieves significant performance improvements on the CUDA optimization task: trained on A100, it delivers an average speedup of x3.12 with a median speedup of x1.42 against default baselines over across all 250 CUDA kernels of KernelBench, with peak speedups reaching x120. In addition to the default baseline provided by KernelBench, CUDA-L1 demonstrates x2.77 over Torch Compile, x2.88 over Torch Compile with reduce overhead, x2.81 over CUDA Graph implementations, and x7.72 over cuDNN libraries. Furthermore, the model also demonstrates portability across different GPU architectures. Beyond these benchmark results, CUDA-L1 demonstrates several properties: it 1) discovers a variety of CUDA optimization techniques and learns to combine them strategically to achieve optimal performance; 2) uncovers fundamental principles of CUDA optimization, such as the multiplicative nature of optimizations; 3) identifies non-obvious performance bottlenecks and rejects seemingly beneficial optimizations that actually harm performance. The capabilities demonstrate that, RL can transform an initially poor-performing LLM into an effective CUDA optimizer through speedup-based reward signals alone, without human expertise or domain knowledge. This paradigm opens possibilities for automated optimization of CUDA operations, and holds promise to substantially promote GPU efficiency and alleviate the rising pressure on GPU computing resources. Project: deepreinforce-ai.github.io/cudal1_blog

Xiaoya Li, Albert Wang, Guoyin Wang +2

DeepReinforce Team

Reinforcement Learning GPU Kernel Optimization GPU Acceleration Large Language Model-Guided Optimization Contrastive RL