Agentic Optimization

Agentic AI systems often approach the same task through multiple workflows that differ in reasoning strategy, verification structure, and compute cost. A natural deployment policy is to use the workflow with the highest average performance, but this can be suboptimal because different workflows may succeed on different instances. We study a portfolio-and-selector paradigm in which a firm runs multiple workflow executions and selects the final answer after observing their outputs. Additional executions may uncover correct answers that the best standalone workflow misses, but they consume compute and introduce plausible distractors that complicate final selection. We formulate this as a workflow portfolio problem in which the firm jointly chooses run size and allocation across workflow types. We summarize selector quality through an odds-lift index and derive sharp bounds on the value of workflow variety. For finite workflow pools, we develop exact formulations, linear programming relaxations, randomized rounding procedures, and computable performance certificates. For large implicit workflow classes, we derive a finite-dimensional dual and an ellipsoid method using a pricing oracle to identify workflows with high weighted accuracy net of recurring compute cost. Under a weak condition, the method obtains a near-optimal solution to the relaxation with polynomially many oracle calls. We evaluate the framework on three datasets: ABCD, Schema-Guided Dialogue, and HotpotQA. Relative to the best standalone workflow, portfolio optimization improves held-out selector accuracy by 3.1, 7.5, and 0.9 percentage points, respectively. Dual-guided workflow generation adds 3.5 points on ABCD and 24.1 on HotpotQA, with no additional gain on Schema-Guided Dialogue.

Autonomous research agents aim to automate scientific workflows, from proposing ideas to conducting experiments and analyzing results. Yet current AI and research agents can propose more directions than available resources allow them to pursue. Moreover, each attempt could consume substantial resources, requiring agents to reconsider how to invest in subsequent research. Thus, deciding how to invest research effort strategically should be a defining capability of autonomous research agents. Accordingly, we introduce PrimeScientist, which jointly determines research direction and resource investment across successive research attempts. Specifically, we formulate this challenge of strategic research effort allocation as a sequential decision problem where remaining resources should explicitly guide the research policy. We first introduce an executable plan tree that preserves competing plans and their outcomes across attempts. Building on this representation, we propose an adaptive MCTS-based allocation policy that balances exploration and exploitation using experimental feedback and remaining resources. Comprehensive evaluations across AI research, systems and code optimization, and machine learning engineering show that strategic allocation improves research quality and sample efficiency together. Across 12 AI research tasks, PrimeScientist improves average reward by 10.3% with 50.6% fewer research attempts than AutoResearch under the same resource budget. We believe making research effort allocation an explicit optimization target establishes effective resource use as a core research capability for autonomous agents to drive scientific breakthroughs at scale.

Medical volume visualization requires selecting regions of interest (ROIs) and carefully controlling their relative visual emphasis according to a given clinical intent. Implementing these decisions in conventional workflows demands substantial clinical and visualization expertise and often involves trial-and-error optimization. Recent agentic systems have introduced natural-language interaction and autonomous visualization operations but largely rely on MLLM-based inference throughout the workflow. Although MLLMs encode broad medical knowledge and provide strong reasoning capabilities, such inference may be suboptimal for medical volume visualization, potentially leading to clinically incomplete interpretations of user requests and unreliable ROI identification and visualization optimization. In this work, we present MedVA, an end-to-end neuro-symbolic agentic system for medical volume visualization that addresses these limitations through three complementary agents. The neuro-symbolic intent formulation agent refines MLLM-based interpretations of natural-language requests through symbolic reasoning over established clinical knowledge, which provides more complete, clinically grounded ROI specifications than MLLM-only reasoning. The multi-model ROI identification agent directly identifies semantically specified ROIs in the original volume by leveraging complementary large-scale pretrained medical segmentation models. The objective-driven visualization optimization agent explicitly evaluates ROI visibility and occlusion in the original volume using a volume-based visibility objective. Extensive agent-level and system-level evaluations across diverse medical datasets and interaction scenarios support the effectiveness of the individual agents. A formative user study further indicates high usability and practical value among users with different levels of expertise.

Domain practitioners understand their business constraints but may lack operations-research expertise or dedicated support. LLM-based optimization agents translate natural-language requirements into models or solver programs that established optimization tools can execute. This progress makes optimization more accessible, but real-world operations are dynamic: changing demand, resources, and priorities require updates to data, constraints, and objectives. Methods centered on isolated requests offer limited support for rapid adaptation that preserves earlier decisions and reuses useful search results. We introduce MAPLE (Memory-Augmented Planning with Language and Evolution), an agent for maintaining optimization problems through successive natural-language requests. MAPLE combines language-based problem construction with mathematical programming and evolutionary search. It retains the optimization program, accepted plans, earlier updates, and candidate solutions for subsequent requests. We introduce NLDO, a benchmark of 15 trajectories and 180 updates spanning selection, scheduling, rostering, routing, and cloud-resource placement. In the main evaluation, MAPLE completes all trajectories and achieves online scalar quality of 0.951 and a Pareto hypervolume ratio of 0.875. Controlled comparisons further show that maintaining executable state improves update validity and can preserve useful search information across substantial revisions.

Semantic-gradient-based prompt optimization (SGPO) improves agent harnesses using execution feedback, but its local update rule leaves the choice of edit scope and operation unresolved. We introduce RobustSGPO, which specifies the requested edit, constructs and checks the patch, and continues search from either the incumbent or retained snapshots. We evaluate permission scheduling, cumulative controls, and task-family transfer in the AgentX brainstorming workflow using 120 tasks, 95 runs, and 7,350 candidate attempts. Periodic $1\to2\to3$ scheduling exceeds fixed maximum permission by 0.28 test-score points. RobustSGPO increases completion on 30 held-out tasks from 60.0% to 80.0% and improves test quality from 3.77 to 4.14 under a 20-million-token budget. Category retention reduces source-task degradation after a shift, whereas random retention reaches a higher destination endpoint. Search-space control benefits quality through executable edits and alternative starting points, with measurable retention overhead.

Self-driving laboratories (SDLs) combine automated experimentation with adaptive decision-making to accelerate scientific discovery. Their operation nevertheless often depends on human specialists who translate scientific objectives into executable closed-loop campaigns. Specialists adjust them as data and operating conditions change. Here, we present La Agente 'Optima, an agentic framework that constructs and supervises Bayesian optimization campaigns across computational and experimental systems while maintaining a persistent optimization state. By separating large language model (LLM) reasoning from executed campaigns, 'Optima runs repetitive optimization loops consistently, returns control to the agent only when progress requires interpretation or campaign revision, and keeps every decision auditable. We evaluate 'Optima across ablation studies, five digital discovery tasks, and two physical platforms. Throughout, 'Optima maintained executable campaigns as both the scientific problem and execution environment evolved. In a closed-loop contact angle optimization campaign, 'Optima identified and corrected a mid-run measurement failure, bringing the contact angle from 71.4 to 67.8 degrees, just above the 64-66 degree range. From this result, 'Optima correctly inferred that the target was likely unattainable with the available reagents and recommended changing the formulation. In a five-day multi-objective flow-chemistry campaign, 'Optima increased the yield from 30% to 59% over 23 experiments. Despite substantial inference costs, it cost less and used substantially less starting material than a human-directed campaign, while selecting a more mass-efficient operating point. These results show that LLM-based agents can make rigorous, long-running optimization campaigns accessible to domain scientists without specialist setup, expanding the scope of SDLs.

Designing and authoring high-performance custom kernels for accelerators is a complex task that requires deep hardware-level expertise. Large Language Models (LLM) can be leveraged together with real-time compiler feedback to build agentic systems for kernel generation. In this work, we present MaxKernel, a multi-agent system that implements three distinct paradigms for TPU kernel development: (1) a Human-in-the-Loop (HITL) agent for collaborative, step-by-step design; (2) an Autonomous (Auto) agent that executes a fully automated, metric/trace-driven optimization loop; and (3) a Graph-Based Autonomous Search that scales the Auto agent for global exploration of the design space. All three paradigms leverage a shared pool of specialized sub-agents to handle planning, implementation, self-debugging, testing, and hardware profiling. We evaluate MaxKernel on JaxBench, a comprehensive suite of 50 diverse kernel tasks for TPUs, alongside complex, real-world workloads from state-of-the-art open-source models. We demonstrate that MaxKernel consistently generates highly optimized implementations, matching expert hand-tuned baselines and delivering significant performance across the benchmark. Our agent is open-sourced and available https://github.com/AI-Hypercomputer/accelerator-agents/tree/main/MaxKernel.

The performance of an LLM agent depends on the scaffold around a frozen model. A common way to improve that scaffold is to use a coding agent as an optimizer: it reads current scores and traces and iteratively edits the source, producing a new candidate each round. Each edit is chosen according to a belief about how the environment will respond: what went wrong, and which change should help. That belief is typically implicit. It lives in the coding agent's reasoning on the current call, or remains latent in its parameters, rather than as something written down. Later calls therefore see scores and traces, but they do not use that belief. We introduce Belief-Calibrated Optimization (BCO), a method that writes that belief down as a persistent in-context document and continually revises that document as new candidates are evaluated. The resulting document is a world model: the current account of how the environment responds to edits. Added to an otherwise standard loop, BCO reaches a higher train passrate than a matched control that lacks only the world model, on five benchmarks spanning memory QA, tool-use QA, code-as-action app agents, and terminal agents. The gap remains on every held-out split, which is not used to select the candidate. After a target-model swap, in which the frozen model is replaced and the scaffold is not, the selected BCO scaffold leads on the tasks we test, except where context-window overruns leave it unfinished. An offline ablation then asks whether that gap comes from what the world model says. A fresh predictor given the accumulated document forecasts how the environment will respond more accurately than predictors given either no document or a same-form copy whose content has been falsified. The comparison indicates that the document carries reusable information in its content, not only in its form.

Many production systems can assess a configuration only by using it on live requests and observing noisy feedback. Modern agentic systems are a prominent example, with inference-time choices such as model selection, retrieval depth, prompting strategy, and decoding temperature, yet often with no representative validation data. We formalize this setting as Online Hyperparameter Optimization (OHPO) and cast it as an infinitely many-armed bandit over mixed and conditional search spaces. We introduce IMABO, a general framework that combines any bandit policy for choosing among already sampled configurations with any oracle for proposing new ones. We instantiate it with IMOSS, a restart-free anytime policy whose active set grows as $t^β$, and prove an expected cumulative quantile-regret bound of $O(p_ρ^{-1/β} + T^{(1+β)/2})$, where $β\in(0,1)$ controls active-set growth and $p_ρ$ lower-bounds the probability that a proposed configuration falls in the top-$ρ$ fraction of the search space. We combine IMOSS with three practical oracles: a Tree-structured Parzen Estimator, an incumbent-mutation oracle driven by a per-coordinate bandit, and a pretrained tabular foundation model, all three improving over the uniform random oracle baseline. IMABO outperforms all baselines in terms of regret across diverse OHPO settings, from tuning classical machine-learning models to configuring LLM-based agents. Our implementation is available at https://github.com/Tiime-Software/IMABO.

Multi-agent combinatorial optimization problems are notoriously challenging due to their NP-hard nature. Recent parallel autoregressive neural solvers improve inference efficiency by allowing agents to make decisions simultaneously, but their performance often degrades on large-scale instances. This is largely attributable to weak modeling of local geometric structures and the fact that conflicting task selections are handled only after action generation. To address these limitations, we propose GeoPAR, a geometry-guided parallel autoregressive reinforcement learning framework for scalable multi-agent combinatorial optimization. GeoPAR integrates three key components: (1) a projection-window sparse geometry mechanism that builds lightweight local candidate neighborhoods through multi-directional projections, (2) sparse edge-biased attention that injects these geometric relations into node representations, and (3) cache-guided conflict-aware assignment that reuses the geometric cache during decoding to suppress duplicate selections of exclusive tasks. Experiments on heterogeneous vehicle routing and open multi-depot pickup-and-delivery problems show that GeoPAR improves large-scale zero-shot generalization while substantially reducing rollout steps and maintaining efficient inference.

Logic synthesis transforms RTL designs into gate-level netlists, where PPA results are highly sensitive to the choice of optimization commands, making synthesis tuning both high-dimensional and expensive. Previous approaches fall into two categories: automated methods, which perform black-box search over fixed action spaces with limited decision-level interpretability, and LLM-based methods, which typically generate static scripts upfront and cannot adapt to evolving circuit states. We present SynAct, an adaptive closed-loop LLM reasoning--acting agent that iteratively diagnoses live synthesis reports and reasons over the current circuit state, retrieved tool knowledge, and historical optimization experience to issue targeted commands. SynAct focuses on improving timing, particularly worst negative slack (WNS), while maintaining balanced area and power trade-offs. Experiments on a commercial synthesis tool across 14 designs show that SynAct reduces average WNS to 27% of that from bootstrap synthesis.

Modern black-box Image-to-Video (I2V) models offer powerful capabilities in automated content creation, yet their lack of fine-grained control and reliability presents significant challenges in professional workflows. Their inherent stochasticity causes minor variations in textual prompts or hyperparameters to yield drastically different outputs often necessitating inefficient, brute-force trial-and-error processes. To address these limitations, we introduce the ``Agentic Self-Improvement" framework, which reframes video synthesis into a closed-loop, goal-directed optimization. Our framework systematically navigates the generation parameter space using a novel two-stage approach. In the first stage, an iterative prompt optimization loop uses a multimodal Large Language Model (mLLM) to refine the input prompt. This refinement implements two automated evaluations: Davidsonian Scene Graph (DSG) queries ensure semantic adherence, and Common Mistake Questions (CMQ) for artifact detection. At the second stage, we use Bayesian optimization to efficiently co-optimize stochastic seeds and CFG scales. This search is guided by a suite of quality metrics, including the novel Video-Text Adherence (VTA) score derived from the DSG and CMQ evaluations. Our framework significantly outperforms unguided search methods: in human preference studies, videos generated via our agentic approach were strongly preferred over baseline outputs, achieving win rates up to 69%. This work provides a practical and extensible methodology for enhancing the predictability and control of state-of-the-art video generation models, moving the field beyond speculative curiosities toward reliable, production-ready tools.

As coding agents increasingly handle implementation, the central challenge shifts from building individual agents to building an infrastructure that systematically improves them. Current approaches optimize agent systems without accumulating transferable knowledge, accumulate knowledge without compositional reasoning over it, and lack a mechanism for that knowledge to self-evolve through operational evidence. MEGA (Meta Evaluation-Grounded Adaptation) addresses these gaps as a self-evolving infrastructure: each optimization cycle produces durable assets, compositional reasoning over those assets guides subsequent optimization, and operational evidence refines both the accumulated wisdom and the reasoning that governs it. Layer 1 distills reusable wisdom from agent sessions through behavioral-pattern clustering and empirical A/B validation, transforming each process into a durable asset. Layer 2 decomposes these assets into atomic PCR (Primary-Context-Resultant) units within a typed Wisdom Graph and performs deductive, abductive, and inductive reasoning to expand implicit relations; it then assembles context-specific execution plans through compositional retrieval that surfaces bridging knowledge unreachable by embedding similarity alone. Layer 3 performs multi-agent collaborative optimization over heterogeneous agent workflows (code nodes, LLM calls, and tool-using agents), attributing improvement effects to specific strategy changes through controlled evaluation that eliminates data variance. Evidence fed back from Layer 3 drives the self-evolution of both the curation strategies that govern wisdom composition and the optimization trajectories accumulated across runs. The result is an infrastructure in which optimizing an agent system and evolving the knowledge that guides optimization are one and the same process.

Simulation-based optimization (SBO) evaluates executable policies under stochastic dynamics, but most methods treat the simulator as a black box: aggregate scores rank candidates without revealing why they fail or which policy logic should change. We present an LLM-guided heuristic design framework that uses repeated simulation for selection and event-level traces for diagnosis. Each incumbent is assessed through multiple replications, while replaying its lowest-scoring one produces a queryable trace. A manager agent formulates bottleneck hypotheses from this evidence, and editing agents implement parallel code-level revisions. After execution checks and repeated evaluation, best-so-far selection retains only improvements. LLM revision occurs between evaluation batches, while a fixed policy controls each simulation run. We evaluate the framework in a discrete-event simulation of dynamic production and automated guided vehicle (AGV) scheduling. Across five independent optimization runs with Gemini-3.1-Pro, final mean scores averaged 77.51 on the simulator's 0-100 scale. In the highest-scoring run, trace-based diagnoses motivated proactive charging, distance-aware AGV assignment, and rebalanced dispatch priorities, raising the best-so-far mean score from 62.49 to 78.61. On 100 matched seeds, the best final policy outscored representative rolling-MILP, rule-based, and metaheuristic policies on every seed and retained its advantage under random faults without re-optimization. After separate re-optimization for a longer horizon and variable order interarrival times, the resulting policies again outscored all baselines. Ablations with two LLM backbones showed that removing either parallel candidate generation or trace-database access reduced final mean scores. These results show that simulation traces can guide targeted code-level policy improvement in complex simulation-based scheduling.

Recent systems for optimizing prompts, programs, and ML workflows typically rely on explicit outer-loop controllers such as evolutionary search, bandits, or textual-gradient methods. We ask a fundamentally different question: how much of this search policy can be internalized by a single tool-using agent? We present ReASearch, a unified framework for reasoning-driven optimization in which the agent autonomously decides what to evaluate, how to diagnose failures, which edits to make, and when to verify or restart. Rather than serving only as a proposal generator guided by hand-designed heuristics, the agent actively analyzes outcomes, allocates budget, and refines its strategy over long horizons through persistent memory. With a shared agent loop and domain-specific tools, ReASearch instantiates the exact same scaffold to optimize prompts, programs, and ML workflows. Across 14 diverse tasks, it is competitive with and mostly better than specialized optimization systems, achieving gains of 2% to 40% over strong domain-specific baselines, and in some cases discovering solutions that improve on prior human best-known results. Crucially, we observe that complex search behaviors, which are typically implemented by explicit controllers, emerge naturally from the agent's reasoning process.

Autonomous agents choose actions using scores that may not reflect experimental success. We developed OPERA, an operator-residual framework for optical experiments. It represents experimental actions as optical operators and evaluates their outcomes using physically interpretable residuals. Operators specify executable changes to measurement, control or reconstruction, while residuals report departures from specified physical conditions. The agent uses both to select, combine or generate operators, and physical performance is evaluated independently against a withheld reference. Across three optical tasks, score-only feedback produced score increases without physical improvement in 23.6--39.0% of decisions, compared with 0.9--1.9% for operator-residual feedback. Operator-residual feedback increased the probability of reaching and maintaining task targets and reduced experimental budgets. Protocols selected in digital twins were transferred to three optical instruments, and repeated experiments showed a lower projection budget in structured-light reconstruction. Together, operators and residuals guide autonomous decisions using measurable physical evidence.

Text-to-CAD generation translates natural-language design intent into editable and executable parametric computer-aided design (CAD) codes, reducing the expertise and effort required for manual modeling. Existing methods incorporate fixed, externally supplied, prompt-induced, or separately optimized critique mechanisms to optimize the generation process, but they do not necessarily optimize how feedback is interpreted and translated into effective corrective actions throughout the generation process. To bridge this feedback-utilization gap, we present RA-CAD (ReAct Agent for CAD), a state-aware agent that interacts with the CAD environment through a Generate--Execute--Critique--Rewrite loop. At each iteration, RA-CAD executes the current code and observes its outcome. Conditioned on the design instruction, current code, and execution feedback, the agent then generates an explicit post-execution critique as an intermediate policy action. This critique either validates the current result for termination or provides revision-oriented guidance that conditions the next rewrite. CAD Code Bootstrapping (CCB) first establishes fundamental parametric CAD coding capabilities through supervised fine-tuning. Feedback-Driven Agent Optimization (FAO) subsequently applies trajectory-level Group Relative Policy Optimization to both policy-generated code and critique sequences, assigning terminal F1 and Chamfer Distance rewards to the complete interaction trajectory. This formulation makes critique an outcome-aligned, learnable policy decision rather than an unoptimized auxiliary output. Experiments on CADFusion and Text2CAD show that RA-CAD achieves state-of-the-art execution validity and geometric quality compared with existing methods and strong proprietary language models, demonstrating the effectiveness of the proposed state-aware text-to-CAD agent.

Industrial recommendation strategy iteration heavily relies on large-scale A/B experimentation. Traditional tuning requires experts to repeatedly design strategies, configure experiments, analyze results, and adjust parameters, making the process labor-intensive and time-consuming. Meanwhile, valuable knowledge from historical experiments is often fragmented, making systematic reuse difficult through manual expert effort alone. Existing RAG agents partially alleviate this burden by retrieving prior strategies, but typically organize experience in a flat manner, overlooking the hierarchical relationships among business scenarios, recommendation stages, optimization objectives, and experimental contexts. This often results in mismatched retrieval and limited cross-scenario transfer, while preventing agents from continuously refining strategies and parameters through sequential A/B feedback. % To address these limitations, we propose A/B Agent, a closed-loop A/B agent for industrial recommendation strategy optimization. The framework comprises three tightly coupled core components: Historical Strategy Knowledge Organization, Autonomous Target-Aware Strategy Generation, and Experiment-Guided Strategy Self-Evolution. It organizes historical strategies into a hierarchical experience tree, retrieves transferable evidence through multi-path Tree-RAG to generate executable strategies, and continuously analyzes online A/B feedback to guide autonomous tuning and update the experience tree for self-evolution. Extensive offline and online evaluations demonstrate its effectiveness, including a 4.829% improvement in GMV in a real-world short-video e-commerce recommendation system while maintaining positive gains across all guardrail metrics.

Automated agent design improves agent harnesses through iterative revision, evaluation, and feedback summarization. Existing methods are largely candidate-centric: cross-round experience is organized around candidate agents, which leaves the repair progress implicit. This causes inefficient repair targeting, slow consolidation of partial progress, and propagation of ineffective interventions across rounds. Therefore, we formulate issue-centric agent optimization, in which repair progress is carried forward as an explicit persistent issue state to guide optimization, rather than re-derived from candidate history in each round. We instantiate the formulation in ADIAS, a framework for automated full-code agent design with two mechanisms. A persistent issue state maintains stable issue identities, lifecycle status, supporting evidence, and intervention-outcome histories. Issue-guided optimization uses this state to jointly propose repair targets and revision directions for subsequent focused full-code modification. Across five interactive benchmarks, ADIAS outperforms the strongest baseline by 25.2% on average and achieves consistent gains across four backbone models. Controlled ablations further show that removing persistent issue state or replacing issue-centric revision with candidate-centric policies leads to performance drops of up to 40.7%.

Recent advances in agentic workflow optimization automate workflow design through task-specific workflow search or input-conditioned architecture selection. However, they determine the workflow before execution and cannot adapt failed workflow regions using execution-time label-free quality signals. Naively enabling such inference-time adaptation through whole-workflow re-optimization would be computationally prohibitive. To tackle this challenge, we introduce GRAFT, which preserves a globally optimized workflow while locally replacing only selected regions for each input. Without parameter training, GRAFT evaluates region-level alternatives using label-free execution-quality signals and accepts only replacements that improve local quality while preserving workflow-level consistency, thereby enabling instance-wise adaptation without whole-workflow re-optimization. GRAFT applies without modification across a range of tasks spanning mathematical reasoning, code generation, and multi-hop and knowledge-intensive question answering. Under matched optimizer and executor settings, it improves over the strongest prior workflow-optimization method, MaAS, by 3.85 points on average. Replacing only the executor with a stronger model yields further gains without re-optimizing the global workflow. This suggests that an optimized workflow is not merely a static optimization artifact, but an adaptable execution policy that can evolve with inference-time feedback and stronger executors.

Stage-one stellarator design searches a high-dimensional family of three-dimensional plasma boundaries and fixed-boundary MHD equilibria for configurations that jointly meet requirements on confinement, field-line topology, force balance, stability proxies, and geometry. These specifications do not provide a general constructive map to a validated finite-beta equilibrium. High-quality targets are commonly developed through iterative numerical optimization whose outcome depends on the initial configuration, active Fourier resolution, objective priorities, and local solver budget. Coordinating this process is computationally costly and expert-intensive, limiting both design throughput and the production of consistently evaluated data. We present a proof of concept for \emph{agentic} stage-one optimization. A bounded language-model agent diagnoses the current equilibrium and selects the next local optimization experiment, while deterministic DESC execution owns prescribed profiles and flux, symmetry, metric evaluation, solver validity, and acceptance. On a common-budget subset from an expanding finite-beta campaign, the number of gate-valid configurations increases from five inputs to nineteen outputs; median Boozer QS RMS decreases from $2.39\times10^{-4}$ to $1.07\times10^{-4}$, and median maximum principal curvature decreases from $62.56$ to $33.00\,\mathrm{m}^{-1}$. A complementary long route achieves a $9.10\times$ QS reduction while repairing magnetic-well and curvature defects. The system also records every attempted local action as transition evidence, yielding 734 structured parent--action--outcome records in the reported experiments. These results show that agentic outer-loop control can sustain finite-beta, multi-objective search and turn repeated optimization into a scalable source of improved equilibria and reusable decision data.

Bayesian optimization (BO) has become the standard tool for sample-efficient optimization and owes its efficiency to uncertainty-aware search driven by generic statistical priors. Richer domain priors can improve BO in principle, but encoding them through tailored kernels or problem structure is difficult and rarely done in practice. LLMs can help sidestep this difficulty by making informal priors from natural language, code, and documentation directly available to the optimizer. However, existing LLM-based BO methods either insert the LLM into a fixed role (surrogate, acquisition proxy, or configuration interface) or hand it broad control, sacrificing the systematic exploration that makes BO reliable. We introduce agentic Bayesian optimization: a paradigm in which an LLM agent is the central decision maker in the BO loop while a Bayesian backend provides the uncertainty-aware optimization substrate. The agent configures the problem, queries the backend, selects and commits evaluations, and can revise the optimization strategy during the run by tightening bounds, switching acquisition functions, proposing targeted evaluations, or even reframing the problem following new instructions or observed evidence. We instantiate this idea in Sara, a surrogate-augmented autoresearch agent, and lenz, a modular BoTorch-based backend that the agent can inspect and modify through a structured interface. Across synthetic and real-world benchmarks, Sara preserves the reliability of state-of-the-art BO without prior knowledge, outperforms LLM-based baselines, and uses natural-language priors to improve beyond standard BO. We further demonstrate the practical value of agentic BO in dynamic settings, where Sara reconfigures the full optimization problem on the fly as requirements change, a capability not previously available in standard BO.

As LLMs evolve from code completion systems into autonomous scientific agents, evaluating their ability to conduct experiments has become increasingly important. Existing benchmarks typically focus on static code generation, paper replication, or final answer correctness, but do not directly assess whether agents can interpret experimental evidence and use it to guide subsequent hyperparameter decisions. To address this gap, we introduce AgentHPOBench, a sequential benchmark comprising 30 executable machine learning tasks across seven research categories. Each task begins with a validated baseline run, after which an agent performs several sequential interventions. At each step, the agent observes the accumulated configurations, metrics, and logs before proposing the next valid configuration. We evaluate 12 widely used agents and conventional HPO baselines under a unified protocol. The results show that current agents exhibit measurable experimental optimization ability across domains, but still face clear limitations in sustained iterative refinement, complex log diagnosis, and consistent progress toward reported reference performance.

Distributed discrete-choice optimization in decentralized settings is often hard to explore and navigate: disentangling what other agents choose, how their choices are interdependent, and how they collectively reach a global objective quickly becomes intractable as the system scales. The major limitation is observability of the search process. Existing methods are largely centralized and offer limited support, visualizing only the final solution or providing algorithm backends over a fixed dataset, so how a solution is reached stays a black box. We present Argonaut, a lightweight, containerized optimization dashboard that enables interactive, visual exploration of the entire search process for multi-agent discrete-choice optimization in decentralized settings. Users upload datasets, construct agents and options, modify the decision space and its parameters on the fly, and run multiple algorithm backends to inspect how each configuration shapes local agent decisions and the resulting global objective. By uniting system construction, optimization, and analysis in one interactive loop, the first of its kind, Argonaut makes distributed discrete-choice optimization a human-in-the-loop process rather than a one-shot, black-box computation. We evaluate Argonaut on real-world household-electricity, shared-mobility, and sensor-data-exchange datasets scaling to 5600 agents and up to 1M solutions under brute force. Built on a Node.js interface with extensible Java and Python optimization backends, it maintains a typical runtime of 200 agents over 100 decision attributes in under 30 seconds.

Ascend C operator optimization is critical for NPU (Neural Processing Unit) inference performance but requires deep hardware expertise. While large language models (LLMs) have shown promise in automated CUDA kernel generation, the fundamentally different programming model of Ascend C introduces unique challenges that remain unexplored. In this paper, we propose AgenticCANN, a knowledge-augmented agentic evolution framework specifically tailored for automated Ascend C operator synthesis in low-corpus NPU environments. To overcome the severe platform knowledge deficit on unfamiliar hardware, AgenticCANN incorporates a knowledge-orchestrated generation system that delivers structured, multi-level domain insights across the development lifecycle to resolve the upstream feasibility bottleneck. Building on this foundation, it features a stage-adaptive agentic evolution strategy that dynamically aligns LLM interaction modes with specific generation and evolution phases, balancing high-exploration candidate discovery with high-convergence performance tuning. Extensive experiments on Huawei Ascend 910B across six operators spanning five pattern categories demonstrate that our method achieves 90 to 100 percent feasibility on elementwise and normalization operators, 56% on fusion operators, and up to 6.65$\times$ speedup on 1B Pangu model inference kernels. Further analysis reveals that knowledge injection monotonically improves feasibility from 57% to 86% on elementwise operators, demonstrating its general rather than operator-specific benefit.

Optimizing agentic workflows, such as retrieval-augmented generation (RAG) pipelines, requires navigating a combinatorial space of discrete component choices under tight evaluation budgets. Existing approaches - heuristic search, black-box optimization, and standard tree search methods - do not explicitly exploit the compositional structure of these workflows, leading to redundant computation and inefficient budget allocation. We introduce Agent-UCT (Agent-based Cost-Aware Upper Confidence Bounds Applied to Trees), a tree search algorithm that extends UCT with a reuse-aware regularization term derived from a bipartite prefix reuse graph. Agent-UCT biases selection toward branches that leverage previously materialized configuration prefixes, reducing redundant execution while maintaining effective exploration. Our framework, RAGSpace, unifies heterogeneous RAG components from LongRAG, LightRAG, and Self-RAG into a five-dimensional configuration space, enabling systematic cross-framework recombination. WTB (Workflow Test Bench) provides deterministic replay, content-addressable caching, and transactional consistency, ensuring that intermediate states are materialized once and reused across the search. Experiments on HotpotQA and UltraDomain demonstrate that Agent-UCT identifies configurations with the highest out-of-sample performance among the evaluated fixed framework presets. Under full-pool evaluation, bipartite prefix reuse reduces logical search cost by 73.6% relative to the no-prefix-sharing cost upper bound. Compared with full-pool evaluation, sampling-based evaluation further achieves a 4.2x wall-clock speedup. Agent-UCT, RAGSpace, and WTB together provide a unified framework for cost-aware, reproducible, and compositionally efficient agentic workflow optimization.

Large language model (LLM) agents now perform well on correctness-oriented repository-level tasks, including SWE-Bench issue resolution and feature implementation in real codebases. However, they still struggle with repository-level code optimization, which requires preserving behavior while improving runtime performance. Passing tests is not enough in this setting; a patch must preserve behavior, implement code optimization, and approach expert speedups. Current agents often miss bottlenecks hidden behind abstraction layers and native extensions, stop after shallow speedups, or insufficiently test the code patches that thus may silently break edge cases. We present PerfAgent, a profiler-guided, verifier-in-the-loop workflow that gives an off-the-shelf coding agent the feedback needed to find real hotspots, improve beyond the first passing patch, and use profiler evidence rather than timing alone to decide what to optimize next. On two challenging optimization benchmarks, GSO and SWE-fficiency-Lite, PerfAgent more than doubles the rate of expert-matching patches over OpenHands with GPT-5.1, improving from 19.6% to 39.2% on GSO and from 26% to 74% on SWE-fficiency-Lite. It also surpasses an oracle best-of-five baseline at substantially lower cost, showing that the gains come from better feedback rather than additional test-time sampling.

Auto-bidding plays an essential role in online advertising, automatically adjusting bids for advertisers to optimize their commercial goals. The emerging AI-Generated Bidding (AIGB) paradigm widely adopts generative modeling to optimize bidding strategies, yet suffers from the limited mode coverage of offline datasets and inadequate task-state understanding, hindering effective exploration of optimal strategies. Large Language Models (LLMs), with prior world knowledge and reasoning capabilities, offer a promising approach to overcome these limitations. However, directly applying LLMs to auto-bidding tasks faces inherent challenges in limited numerical precision, hallucinations, and inference latency. To address these limitations, we propose AIGB-R1, a hierarchical self-evolving auto-bidding framework aiming to enhance AI-Generated Bidding via LLMs' Reasoning capabilities, comprising a high-level Planner module for macro-level strategy planning and a low-level Executor module for fine-grained decision-making. Building upon this, we design an experience-driven self-evolving loop, enabling autonomous strategy exploration and optimization from accumulated experience. We adopt a two-stage pipeline of offline pre-training and post-training alignment, and build an interactive bidding simulation environment for strategy rollout. Furthermore, we propose Decoupled Group Relative Policy Optimization (D-GRPO) to achieve end-to-end optimization via advantage decoupling. Experimental results on a large-scale public dataset demonstrate the effectiveness of AIGB-R1.

Existing GPU kernel generation benchmarks draw problems from synthetic or curated sources that diverge from deployed workloads. We present Atrex-Bench, a benchmark whose 30 operators and 440 shapes are sampled directly from full-cluster production inference traces of compute-limited, memory-rich GPUs. Each problem carries an importance weight derived from its share of observed GPU time, weighted by application card-hours and computed separately for the serving phases in which it runs, together with a per-problem roofline ceiling, so the aggregate score emphasizes the kernels that consume the most serving time. Evaluating six frontier coding agents on Atrex-Bench shows that even the best vanilla model reaches only ${\sim}10\%$ of the hardware roofline on production operators; and correctness alone overstates capability, since much of the apparent pass rate comes from PyTorch fallbacks rather than kernels the model wrote. To close this gap, we co-release Atrex-Kernel-Agent (AKA), a profile-driven kernel-optimization agent that combines iterative measure-revise search, optimization dropout for escaping stalled search contexts, and a layered GPU-optimization knowledge base (298 reference-kernel files and 244 optimization-knowledge documents, plus external upstream reference projects for API/ISA lookup). In a controlled case study, the agent converts zero-FlyDSL fallbacks into real kernels that match or exceed hand-tuned production baselines.

Most reported gains from agent-optimization methods are one-shot: an agent is optimized against a fixed benchmark and the resulting improvement is reported as if it were a stable property of the method. This does not test the setting that matters for deployed agents, where optimization is applied recursively as new failures and new tasks appear over time. The central question this raises is whether optimizer-driven gains compound: after an agent has been optimized once, can it be optimized again on newly arrived tasks without eroding the gains the first round produced? We study this question with a two-phase continual-learning evaluation built from hard tasks in Terminal-Bench 2.0, comparing three approaches to agent-harness optimization (GEPA, Meta Harness, and RELAI's Verifiable Continual Learning, RELAI-VCL) under identical optimization budgets. All three methods improve over the baseline agent in the conventional, static, single-phase setting. However, once new tasks are introduced, the methods diverge sharply: GEPA's optimized agent transfers below the unoptimized baseline, Meta Harness transfers well but fails to improve further once given a second optimization budget, and RELAI-VCL is the only method that both transfers positively to unseen tasks and continues improving after those tasks are folded into the optimization objective, reaching the highest pass rate at every evaluated stage and the highest lifelong average pass rate overall (76.4% vs. 66.0% for GEPA, 64.6% for Meta Harness, and 58.7% for the baseline). Our key observation was that optimization gains compounded only when regression control was built into the optimization loop, providing an inductive bias against shortcut solutions that fail to generalize.

The optimization of long-horizon agents increasingly relies on reflection-based mechanisms, where a large language model (LLM) acts as an optimizer to diagnose agent failures and improve agent policies. However, real execution traces are difficult to use directly for optimization: large trace collections are often redundant and heterogeneous, making optimization inefficient and prone to overfitting to low-value failures; meanwhile, each individual trajectory also contains many irrelevant steps, while naive context reduction methods such as truncation or sliding windows can discard causally important evidence and produce misleading optimization signals. To resolve this dilemma, we introduce STRACE (Structural TRajectory Analysis and Causal Extraction), a framework that constructs high signal-noise optimization contexts for more precise and effective optimization. At the batch level, STRACE mines failure patterns to filter redundant traces and retain representative failures; within each selected trace, it performs causal localization over a textual dependency graph to remove non-causal steps and identify the true root-cause module for optimization. Empirical results demonstrate that STRACE significantly outperforms standard context-filtering baselines. Notably, on a challenging formal verification task (VeruSAGE-Bench), it successfully optimizes human-expert designed agents, delivering $1.4\times$ success-rate improvement (42.5% to 58.5%). The code is available at https://github.com/moomight/STRACE .

Physical design quality-of-results~(QoR) optimization is hard and expensive. Choices made at one stage can help or hurt later stages. Each evaluation requires a costly EDA run through the full flow. While existing methods still treat optimization as flat parameter tuning or a LLM-based script generation task, we present AgenticPD, a stage-aware agentic framework for physical design QoR optimization. Instead of re-running the full flow after every trial, AgenticPD is organized around the stage boundaries of the physical design flow, where a Judge Agent navigates the search and stage-specialized agents make local decisions within their own stage using stage-local tools. Additionally, the agent harness in AgenticPD provides structured observations, execution history, and agent context management. As a result, the system can branch from prior intermediate states and reuse checkpoints to continue the optimization procedure, and every candidate is evaluated at the post-route signoff. Across these baselines, AgenticPD achieves strong post-route timing while remaining competitive in power and area.

Long-running coding agents such as autoresearch can persistently discover optimizations for open-ended problems. However, they tend to converge onto a single high-level approach, then proceed with low-level edits while missing other superior approaches to the problem. We hypothesize two harness-level design choices contribute to this behavior: accumulating context in a single long-running agent and only exposing a single program state to edit. We introduce SwarmResearch, an orchestrator-subagent harness in which a Shepherd Agent uses global context to steer a population of Search Agents, each operating with local context in their respective git branch. On open-ended optimization tasks, SwarmResearch discovers better or comparable solutions to state-of-the-art LLM-guided evolution and multi-agent techniques on 13/15 tasks, driven by higher-level exploration. Compared with fixed scaling of serial and parallel agents, SwarmResearch's orchestrator-guided scaling discovers better-performing solutions by adapting parallelism at different search depths.

Metric aggregation divergence (MAD) is the silent inconsistency that arises when distinct pipeline stages in an agent-based model coupled with a multi-objective evolutionary algorithm (ABM+MOEA) independently re-implement how an outcome metric is extracted from simulation trajectories. Unlike deliberate analytical choices, MAD operates at the level of pipeline architecture: each stage is internally coherent, and the inconsistency becomes visible only when cross-stage outputs are compared. Code inspection of EpidemiOptim, a JAIR-published epidemic policy toolbox, reveals three structurally independent aggregation paths in peer-reviewed code. A faithful replication of this structure produces champion disagreement in 64.2% of independent runs (n=500, 95% CI: [59.9%, 68.3%]). In a 300-seed policy-flip experiment, divergent aggregation causes the optimizer to recommend the wrong champion in 83% of replications, with a mean welfare gap of 2.19 units and a Gini inequality gap of 0.050 units. In a follow-up inference audit, 3 of 249 flipped seeds cross the significance boundary itself. A complementary enterprise follow-up produces the predicted null under near-commensurable rankings (rho = 0.991), while a public upstream rerun of the Lake Problem DPS workflow shows that the archived published-path recommendation reaches joint-threshold success 0.401 whereas a shared contract-path rule reaches 0.552. We introduce the metric contract - a single shared callable enforced at dispatch time across all pipeline stages - as the remedy. Framed as standard engineering discipline applied to the cross-stage metric interface, the contract eliminates divergence by construction with approximately 3% runtime overhead.

High-performance GPU kernels are critical for reducing the exponentially growing computational costs of large language models (LLMs), but their development heavily relies on manual tuning by domain experts. While recent advances in LLM-based approaches show promise for automating kernel generation, they still struggle to achieve both correctness and high performance. This limitation primarily arises from the lack of domain-specific optimization guidance, hindering effective exploration of the optimization space. We propose EGG, an Expert-Guided Agent Framework for Kernel Generation, which incorporates expert optimization principles to guide LLMs' decisions. Inspired by expert workflows, we decompose kernel generation into two hierarchical stages: 1) algorithmic structure design, which establishes a high-quality computational structure foundation; 2) hardware-specific tuning, which performs targeted adjustments through parallel mapping, tensor tiling, and memory optimization. This staged decomposition defines explicit optimization objectives, structuring the design space to achieve progressive refinement. To this end, a stage-aware multi-agent collaboration mechanism is designed for inter and intra-stage context management, ensuring stable optimization trajectories. Experiments on KernelBench and real-world workloads show that EGG achieves a 2.13x average speedup over PyTorch, outperforming existing agent-based and RL-based approaches.

Hyperparameter Optimization (HPO) is essential for maximizing machine learning model performance, and its core challenge is sample efficiency: finding strong configurations within a limited budget. Because every HPO tool relies on a surrogate prior that imparts its own inductive bias, individual tools struggle once problems become sufficiently diverse and drift from these priors. Motivated by the reasoning and generalization capabilities of LLMs, recent work has explored using LLMs for HPO and reports improved per-iteration performance. Yet these methods share two limitations with a common origin: they use the LLM as a single-tool replacement evaluated by iteration count. (i) Deployed in place of prior tools, the LLM is itself constrained by its pretraining objective to one family of inductive-biased proposals; this single-source setup still fails to handle the full diversity of problems. (ii) Per-iteration evaluation ignores that, in real runs, LLM inference or tool execution is paid serially on top of model evaluation every round, so iteration-count gains do not translate into end-to-end wall-clock gains. We present ASAP, an agent-system co-design that addresses both limitations. On the agent side, ASAP uses the LLM to integrate a diverse pool of inductive-biased optimizers and to select among their proposals each round. On the system side, ASAP re-architects the loop to reduce end-to-end wall-clock while preserving regret quality: a prefix-stable prompt maximizes KV-cache reuse across rounds; speculation parallelism hides the remaining LLM and tool latency under model evaluation via a relative-error accept test; and a Self-Tuner adapts the speculation threshold from execution logs off the critical path. Extensive experiments on diverse modern HPO tasks show that ASAP consistently outperforms baselines, underscoring the value of tool integration and agent-system co-design.

Network operators' changing policies, service requirements, and stringent real-time constraints render existing methods designed with fixed objectives and constraints ineffective. This paper presents Agentic long-term performance optimization (Agentic-LTPO), a nested bilevel optimization framework that can be applied to adaptive physical layer problem configuration. The key idea is to employ agentic AI to generate upper-level configurations in a bilevel optimization structure, where evolving operator policies, environment summaries, and historical experiences are translated into structured lower-level optimization problem configurations. The lower level solves the problems with updated configurations for real-time physical-layer decisions. Considering cell-free MIMO beamforming as a use case, we embody Agentic-LTPO by designing a new multi-agent decision process with retrieval-augmented experience-based verification in the upper level, together with a closed-form beamformer in the lower level. Experiments demonstrate that Agentic-LTPO exhibits strong adaptability to dynamic operator policies and effectively enhances the system's long-term performance by 57.2% compared to traditional methods.

Multi-agent systems (MAS) offer a scalable path forward for agentic AI, comprising multiple LLM-based agents, each assigned a system prompt and a position within a workflow that governs inter-agent coordination and output aggregation. System prompts thus form a critical and accessible optimization surface: they specify agents' roles and behaviors, enabling system-level improvements without model finetuning. Although prompt optimization has shown substantial potential for single LLMs, extending it to MAS poses distinct challenges, notably an exponentially growing search space. It remains unclear whether, when, and by how much prompt optimization improves MAS performance, and how sensitive such gains are to system configuration. In this work, we systematically study system-prompt optimization across a broad range of MAS setups varying in task, workflow, communication protocol, and team size, benchmarking two prompt optimizers that naturally extend state-of-the-art single-agent methods. The results reveal its potential to unlock significant gains while exposing open challenges, characterizing when and how much prompt optimization helps across diverse MAS settings.

Traditional architectural design space exploration (DSE) is highly inefficient, typically requiring tens of thousands of simulator evaluations across various optimization methods. This inefficiency arises because conventional methods treat the simulator as a black-box oracle. In contrast, human architects effectively guide exploration by reasoning through physical constraints, performance bottlenecks, data reuse, and workload structures. To bridge this gap, we introduce AgentDSE, a simulator-in-the-loop methodology driven by a general-purpose large language model (LLM) coding agent. AgentDSE automates this architectural-reasoning loop without requiring model fine-tuning, precomputed design databases, or domain-specific optimizer code. Across deep neural network (DNN) accelerator mapping, hardware/software co-design, and CPU cache-hierarchy optimization, AgentDSE achieves competitive or better design quality with up to two orders of magnitude fewer evaluations. AgentDSE also produces inspectable traces that surface architectural hypotheses, performance cliffs, implicit priors, and simulator artifacts, making every search decision traceable rather than buried in optimizer state.

Large language models are increasingly deployed as autonomous agents for multi-step tasks in executable environments, yet their ability to perform realistic operations research (OR) work remains unclear. Existing OR evaluations often decouple modeling from solving, rely on pre-formalized or text-only instances, and rarely test the full workflow from operational artifacts to validated decisions. In this work, we introduce ORAgentBench, an execution-grounded benchmark for evaluating autonomous agents on challenging end-to-end operations research tasks. It contains 107 human-reviewed tasks across diverse operational scenarios, each packaged in an isolated environment with a natural-language brief, multi-file data, configuration artifacts, and a required submission schema. Agents must write and run solution code, and their submissions are evaluated by hidden validators for schema validity, hard-constraint feasibility, and normalized objective quality. Experiments with fourteen frontier agent-model configurations show that current agents remain far from reliable OR practice. The best agent passes only 35.51% of all tasks and 20.59% of hard tasks, and many feasible submissions still fall below the required quality threshold. Failure analysis further shows that errors are dominated by strategic weaknesses, including missed operational rules, brittle formulations, weak feasible-solution construction, and insufficient solution improvement. OR-specific procedural skills increase hard-task feasibility, but do not reliably improve solution quality or pass rate. These results suggest that progress in OR agents requires moving beyond plausible optimization code toward dependable, high-quality operational decision-making.

Context engineering has emerged as a primary lever for improving AI systems without parameter updates. Recent work showing that textual gradients do not function as real gradients motivates treating automatic prompt optimization (APO) as black-box search. We introduce SPO (Stochastic Prompt Optimization), a framework for stochastic search over prompt space, and compare three strategies of increasing sophistication: error-informed random search, a genetic algorithm with evolutionary operators, and SAGE (SPO via Agent-Guided Exploration), a multi-agent pipeline with diagnostic code execution. Across three benchmarks, no single strategy dominates; effectiveness depends on the interaction of landscape structure with error type. We further deploy SAGE on a mental-health chatbot under a continuous optimization paradigm, where it compounds eight cycles of individually-noisy A/B tests into a statistically robust gain in next-day retention. We argue that coupling qualitative diagnosis with quantitative validation is what makes agentic optimization effective for open-ended task-oriented dialogue.

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.

Scientific and engineering progress is fundamentally a long-horizon iterative process: proposing changes, running experiments, measuring outcomes, and continuously refining artifacts. Yet existing benchmarks for frontier models primarily evaluate either single-turn responses or short-horizon agent trajectories, failing to capture the challenges of sustained iterative improvement over extended time horizons. To address this gap, we introduce AutoLab, a new benchmark for ultra long-horizon closed-loop optimization. AutoLab consists of 36 realistic, expert-curated tasks spanning four diverse domains: system optimization, puzzle & challenge, model development, and CUDA kernel optimization. Each task begins with a correct but deliberately suboptimal baseline and challenges agents to improve it within a strict wall-clock budget. Evaluating 17 state-of-the-art models reveals the dominant predictor of success is not the quality of an agent's initial attempt, but its persistence in repeatedly benchmarking, editing, and incorporating empirical feedback. While claude-opus-4.6 exhibits strong long-horizon optimization capabilities, most frontier models, including several proprietary ones, either terminate prematurely or exhaust their budgets with minimal progress. These results underscore the importance of time awareness and persistent iteration in autonomous agents. We open-source the full benchmark, evaluation harness, and task artifacts, to accelerate research toward truly capable long-horizon agents.

While Multi-Agent Systems (MAS) empower Large Language Models to tackle complex reasoning tasks through collaborative interaction, optimizing their dynamics remains a formidable challenge due to the discrete, non-differentiable nature of the computation graph and the sparsity of global supervisory signals. Existing black-box optimizers struggle to attribute trajectory-level failure to specific local components, resulting in inefficient, high-variance exploration. We argue that tractable MAS optimization needs structural inductive biases to disentangle error signals. We propose temporal and structural credit assignment, which decomposes the objective along two axes: (i) temporal credit, using state-space bottlenecks to identify critical rounds, and (ii) structural credit, using stationary role policies to isolate agent contributions. Leveraging these decomposed signals, we introduce a discrete, verbalized block coordinate descent algorithm for iterative refinement. Rather than indiscriminate global updates, it alternates between optimizing role prompts and aggregation protocols, using LLM-generated "proxy gradients" to target only the identified weak links. Across diverse reasoning benchmarks, our approach substantially reduces query complexity while improving performance, providing a principled and interpretable path toward self-improving MAS.

Parameterizing high-fidelity "digital twins" of batteries is a critical yet challenging inverse problem that hinders the pace of battery innovation. Prevailing methods formulate this as a black-box optimization (BBO) task, employing algorithms that are sample-inefficient and blind to the underlying physics. In this work, we introduce a new paradigm that reframes the inverse problem as a reasoning task, and present Battery-Sim-Agent, the first framework to deploy a Large Language Model (LLM) agent in a closed loop with a high-fidelity battery simulator. The agent mimics a human scientist's workflow: it interprets rich, multi-modal feedback from the simulator, forms physically-grounded hypotheses to explain discrepancies, and proposes structured parameter updates. On a systematically constructed benchmark suite spanning diverse battery chemistries, operating conditions, and difficulty levels, our agent significantly outperforms strong BBO baselines like Bayesian optimization in identifying accurate parameters. We further demonstrate the framework's capability in complex long-horizon degradation fitting tasks and validate its practical applicability on real-world battery datasets. Our results highlight the promise of LLM-agents as reasoning-based optimizers for scientific discovery and battery parameter estimation.

Large language model (LLM) agents are increasingly used to assist with operations research (OR) modeling, yet existing OR-oriented benchmarks often reduce evaluation to one-shot translation from a self-contained problem statement into a mathematical formulation or solver program. Such settings abstract away two characteristics of real industrial OR workflows: persistent multi-artifact workspaces and multi-stage task lifecycles. We introduce OR-Space, a full-lifecycle workspace benchmark for evaluating industrial optimization agents across model construction, model revision, and grounded explanation. Each instance is an executable workspace containing business documents, structured data, optional code artifacts, solver outputs, and task-specific evaluators distributed across interdependent files. OR-Space defines three task modes: Build, where agents construct solver-ready optimization models from heterogeneous artifacts; Revise, where agents modify existing models under changing requirements or solver feedback while preserving valid prior logic; and Explain, where agents answer grounded questions about solutions, constraints, and business implications using evidence spread across workspace artifacts. By combining persistent workspaces with lifecycle-oriented tasks, OR-Space evaluates whether agents can perform reliable optimization work beyond end-to-end text generation. We describe the benchmark design, evaluation protocol, and quality-control pipeline, and position OR-Space as a benchmark for studying the reliability, failure modes, and practical readiness of LLM agents in industrial OR workflows.

Progress in neural combinatorial optimization for Dynamic Flexible Job Shop Scheduling Problem (DFJSP) is currently hindered by a methodological tension: static benchmarks encourage benchmark overfitting, while uncalibrated generators obscure algorithmic capability with stochastic noise. To resolve this, we introduce \textbf{DynaSchedBench}, a diagnostic framework for DFJSP that rigorously controls the instance-generation process. Instead of relying on parameter sampling, our approach utilizes Sequential Event-Space Calibrator (SESC) that computes a novel Schedule Stress Index (SSI) to stratify instances by difficulty. We demonstrate that SESC is substantially more computationally efficient than evolutionary baselines while converging reliably to the target metrics. The framework integrates modular components for instance generation, snapshot-based simulation, agents, evaluation, and visualization, thereby enabling rigorous testing of reactive and lookahead-based policies. Leveraging this calibrated environment, we identify key limitations of LLM-based scheduling agents. Specifically, in step-wise online decision-making for dynamic scheduling, we identify an ``Observability Paradox'': providing agents with oracle access to full structural information can degrade policy performance, underperforming concise information. Furthermore, despite substantial token overhead, tool-augmented and refinement strategies fail to reliably improve performance, and most LLM agents fail to consistently surpass strong dispatching baselines-behaving more like robust heuristic approximators than superior optimizers.

Segmentation is a fundamental task in computer vision, underpinning pixel-level scene understanding and serving as a cornerstone for applications ranging from autonomous perception to medical image analysis. For complex referring segmentation, recent methods pair large vision-language models with segmentation decoders: the former analyzes the image and prompt, while the latter predicts the target mask. Although reinforcement learning improves reasoning-intensive vision-language systems, trainable tools such as segmentation decoders are typically optimized separately with differentiable objectives, and the principled integration of such objectives into reinforcement learning remains underexplored. Thus, we introduce group relative tool optimization (GRTO), a mathematically grounded framework for jointly optimizing a policy with differentiable tool use. GRTO reuses group relative policy optimization (GRPO) rollouts to optimize the auxiliary tool objective, letting decoder gradients complement policy rewards. Further, we derive Bootstrapped-GRTO (B-GRTO), a pre-training method that cheaply bootstraps the tool, leading to faster convergence and superior performance. Across three challenging referring segmentation settings, B-GRTO results in substantial improvements over plain GRPO, matching or surpassing domain-specific state-of-the-art methods. This demonstrates the value of unifying reinforcement learning with differentiable auxiliary objectives for reasoning-intensive segmentation.

Topology optimization is a widely used design method that produces optimized material distributions for prescribed objectives and constraints through well-established numerical algorithms. Throughout the workflow, engineers make a series of decisions ranging from setting and adjusting numerical parameters to assessing whether the converged design meets considerations beyond those explicitly included in the optimization problem, such as physical feasibility. These decisions, which draw on domain expertise, interfere with the autonomous design process. To address this difficulty, this study presents TopOptAgents, a multi-agent system for automating not only the design process but also decision-making during the key stages of the topology optimization process. TopOptAgents consists of six LLM-based agents collaborating through iterative self-refinement cycles spanning problem formulation, validation, code generation and execution, and quality assessment of the optimized structure. This process enables error correction and progressive improvement of both the optimization setup and resulting design. The framework is demonstrated on optimization problems selected to cover a range of settings that differ in their literature coverage and numerical characteristics The benefits of iterative self-refinement are found to be particularly pronounced for problem classes where the pretrained language model has limited prior exposure, such as formulations whose literature and open-source implementations are comparatively sparse. In such cases, the proposed framework reliably produces converged designs where a single state-of-the-art LLM struggles, suggesting that self-refinement broadens the range of topology optimization problems that LLM-based automation can reliably address.

Harness optimization enables automated agent creation by having an optimizer agent iteratively update the harness of target agents. Despite its success, current studies evaluate optimizers solely by observing target agents' performance gains. This indirect end-improvement evaluation neglects optimizers' actions at intermediate steps, which are often erroneous and hinder agent performance. Therefore, it is unclear whether harness optimization is driven by optimizers' informed update actions or simply trial-and-error. This necessitates direct evaluation of harness optimizers. However, evaluating harness optimizers directly is non-trivial and costly due to the lack of oracle harnesses. To address this, we present a simple, low-cost design to directly evaluate them, namely priority ranking. By asking harness optimizers to rank components (e.g., tools) in a given harness by their potential to improve/hinder agent performance when updated, our design quantifies optimizer ability at the step level without expensive rollouts or manual examination. More importantly, optimizers' ranking performance correlates with their ability to improve agents in actual multi-step harness optimization, establishing priority ranking as a reliable predictor of optimization ability. Priority ranking is enabled by Shor, a collection of 182 human-verified optimization scenarios spanning across domains, designs, and time stages. Codes and data can be found at https://github.com/k59118/Harness_Optimizer_Evaluation.

Topology optimization can generate efficient structures, but designers often must manually translate qualitative intent, such as desired visual style, product experience, or manufacturability into solver settings that are not directly tied to those preferences. We present TO-Agents, a multi-agent AI framework that connects natural-language design intent with iterative topology optimization. The framework converts a human-provided problem description into validated solver inputs, runs a topology optimization solver, renders the resulting 3D topology, and uses multi-view vision-language reasoning with an independent judge agent to critique each result and revise solver parameters. We evaluate the framework on two long-horizon design tasks: a cantilever beam benchmark and a phone-stand product design. In both tasks, the designer specifies an aesthetic preference for hierarchically branched structures inspired by natural tree morphologies, and the system performs four revision cycles across ten independent replicates. TO-Agents produces at least one preference-aligned design in 60% of trials for each case study, corresponding to up to 6x more successful trials than an ablated pipeline without visual or historical feedback. Judge scores and human evaluations show that the pipeline can identify effective parameter levers, recover from poor revisions, and expand design exploration. A manufacturing agent further post-processes top-ranked designs for additive manufacturing, enabling end-to-end intent-to-prototype design. We also identify failure modes, including overshooting, selective memory, misplaced tools, and incorrect parameter reasoning. These results suggest that agentic topology optimization can shift designers from low-level parameter tuning toward higher-level specification of form and function, while highlighting safeguards needed for reliable autonomous engineering design.

Documentation has long guided computer system tuning by distilling expert knowledge into per-parameter recommendations. Yet such guides capture only what experts conclude, discarding how they reason. This fundamental gap manifests in three concrete deficiencies: documentation grows stale as software evolves, fails under heterogeneous workloads, and ignores inter-parameter dependencies. We propose shifting from static documentation to dynamic action for system tuning. We introduce PerfEvolve, which translates expert tuning methodologies into executable skills that equip LLM-based agents to perform version-consistency verification, workload-specific profiling, and multi-parameter joint optimization. Evaluated on PostgreSQL under TPC-C and TPC-H benchmarks, PerfEvolve outperforms state-of-the-art documentation-driven tuning baselines by up to 35.2%. The tool is available at https://github.com/ISCAS-OSLab/PerfEvolve.

Optimization models developed by operations research (OR) experts are often deployed as decision-support systems in industrial settings. However, real-world environments are dynamic, with evolving business rules and unforeseen perturbations. In such contexts, end users should ideally re-optimize models to recover feasible and implementable solutions, often without access to the original model developers. This paper introduces an agentic re-optimization framework in which a large language model (LLM) acts as an OR expert, dynamically supporting end users through natural-language interaction. The LLM translates user prompts into structured updates of the underlying optimization model, selects suitable re-optimization techniques from an optimization toolbox, and solves the resulting instance to return implementable solutions. The toolbox leverages primal information, including historical solutions, valid inequalities, solver configurations, and metaheuristics, to accelerate re-optimization while preserving solution quality. The proposed framework enables interactive and continuous adaptation of deployed optimization models, reducing dependence on OR experts, and improving the sustainability of decision-support systems. Extensive experiments on two complementary large-scale real-world case studies demonstrate the effectiveness and scalability of the proposed framework. The first considers online supply chain re-optimization, where solutions must be generated rapidly while remaining close to the deployed plan, whereas the second focuses on offline university exam scheduling, where solution quality is prioritized over runtime. Results show that the toolbox-driven architecture significantly improves computational efficiency through primal-based and solver-aware re-optimization techniques, while the structured patch-based updates improve interpretability and traceability of model modifications.

GPU kernel optimization is increasingly critical for efficient deep learning systems, but writing high-performance kernels still requires substantial low-level expertise. Recent AI coding agents can iteratively read code, invoke compilers and profilers, and refine implementations, yet existing kernel benchmarks evaluate single LLM calls rather than full agent workflows, and none include both kernel-to-kernel optimization and unseen-configuration generalization testing. We present AgentKernelArena, an open-source benchmark for measuring AI coding agents on GPU kernel optimization. The benchmark contains 196 tasks spanning HIP-to-HIP optimization, Triton-to-Triton optimization, and PyTorch-to-HIP translation, and evaluates complete agent workflows in isolated workspaces using gated compilation, correctness, and performance checks, centralized scoring and an unseen-configuration generalization protocol that tests whether optimizations transfer to input configurations the agent never observed. Across production agents including Cursor Agent, Claude Code, and Codex Agent, we find near-perfect compilation and high correctness rates on most task categories, with the strongest configurations achieving mean speedups of up to 6.89x on PyTorch-to-HIP, 6.69x on HIP-to-HIP, and 2.13x on Triton-to-Triton tasks. Our unseen-configuration evaluation shows that HIP-to-HIP and Triton-to-Triton optimizations largely transfer to unseen input shapes, while PyTorch-to-HIP exhibits substantial correctness drops, indicating that agents generating kernels from scratch frequently hardcode shape-specific assumptions. AgentKernelArena is designed as a modular, extensible framework for rigorous evaluation of agentic GPU kernel optimization across agents, tasks, and hardware targets.

We introduce Recursive Agent Optimization (RAO), a reinforcement learning approach for training recursive agents: agents that can spawn and delegate sub-tasks to new instantiations of themselves recursively. Recursive agents implement an inference-time scaling algorithm that naturally allows agents to scale to longer contexts and generalize to more difficult problems via divide-and-conquer. RAO provides a method to train models to best take advantage of such recursive inference, teaching agents when and how to delegate and communicate. We find that recursive agents trained in this way enjoy better training efficiency, can scale to tasks that go beyond the model's context window, generalize to tasks much harder than the ones the agent was trained on, and can enjoy reduced wall-clock time compared to single-agent systems.

This paper presents ORPilot, an open-source agentic AI system that translates real-world business problems into solver-ready optimization models. Unlike academic LLM-for-OR tools that assume clean problem specifications with preformatted inline data, ORPilot is designed for production conditions: ambiguous descriptions, large-scale raw operational data, and the need for portability across solver backends. The system introduces four novel components: (1) a conversational interview agent to elicit complete problem specifications, (2) a data collection agent that retrieves data independently of prompts, (3) a parameter computation agent to bridge raw tabular data and model-ready parameters, and (4) a solver-agnostic Intermediate Representation (IR) for deterministic, zero-LLM-call recompilation to Gurobi, CPLEX, PuLP, Pyomo, or OR-Tools solvers. Additionally, self-correcting retry loops utilize solver tracebacks for targeted repairs. ORPilot represents the first attempt to target production-level business problems rather than textbook operations research (OR) cases. Evaluation on real-world problems demonstrates promising results. When tested against traditional academic benchmarks: IndustryOR, NL4OPT and NLP4LP, ORPilot outperformed state-of-the-art tools in accuracy on the IndustryOR benchmark and delivered comparable performance on NL4OPT and NLP4LP.

Distributed blackbox consensus optimization is a fundamental problem in multi-agent systems, where agents must improve a global objective using only local objective queries and limited neighbor communication. Existing methods largely rely on handcrafted update rules and static cooperation patterns, which often struggle to balance local adaptation, global coordination, and communication efficiency in heterogeneous nonconvex environments. In this paper, we take an initial step toward trajectory-driven self-design for distributed black-box consensus optimization. We first redesign the agent-level swarm dynamics with an adaptive internal mechanism tailored to decentralized consensus settings, improving the balance between exploration, convergence, and local escape. Built on top of this adaptive execution layer, we propose Learning to Act and Cooperate (LACMAS), a trajectorydriven framework in which large language models provide sparse highlevel guidance for shaping both agentinternal action behaviors and agentexternal cooperation patterns from historical optimization trajectories. We further introduce a phased cognitive scheduling strategy to activate different forms of adaptation in a resource-aware manner. Experiments on standard distributed black-box benchmarks and real-world distributed tasks show that LAC-MAS consistently improves solution quality, convergence efficiency, and communication efficiency over strong baselines, suggesting a practical route from handcrafted distributed coordination toward self-designing multi-agent optimization systems.

Optimization modeling underpins real-world decision-making in logistics, manufacturing, energy, and public services, but reliably solving such problems from natural-language requirements remains challenging for current large language models (LLMs). In this paper, we propose \emph{Agora-Opt}, a modular agentic framework for optimization modeling that combines decentralized debate with a read-write memory bank. Agora-Opt allows multiple agent teams to independently produce end-to-end solutions and reconcile them through an outcome-grounded debate protocol, while memory stores solver-verified artifacts and past disagreement resolutions to support training-free improvement over time. This design is flexible across both backbones and methods: it reduces base-model lock-in, transfers across different LLM families, and can be layered onto existing pipelines with minimal coupling. Across public benchmarks, Agora-Opt achieves the strongest overall performance among all compared methods, outperforming strong zero-shot LLMs, training-centric approaches, and prior agentic baselines. Further analyses show robust gains across backbone choices and component variants, and demonstrate that decentralized debate offers a structural advantage over centralized selection by enabling agents to refine candidate solutions through interaction and even recover correct formulations when all initial candidates are flawed. These results suggest that reliable optimization modeling benefits from combining collaborative cross-checking with reusable experience, and position Agora-Opt as a practical and extensible foundation for trustworthy optimization modeling assistance. Our code and data are available at https://github.com/CHIANGEL/Agora-Opt.

Long-horizon language-model agents are dominated, in lines of code and in operational complexity, not by their underlying model but by the harness that wraps it: context compaction, tool caching, semantic memory, trajectory reuse, speculative tool prediction, and the glue that binds the model to a sandboxed execution environment. We argue that harness design is a first-class machine-learning problem and that automated configuration search dominates manual stacking once the flag space exceeds a handful of bits. We defend this claim in two steps. First, we formalize automated harness optimization as constrained noisy Bayesian optimization over a mixed-variable, cost-heterogeneous configuration space with cold-start-corrected rewards and a posterior chance-constrained safety check, and give a reference solver, HARBOR (Harness Axis-aligned Regularized Bayesian Optimization Routine), built from a block-additive SAAS surrogate, multi-fidelity cost-aware acquisition, and TuRBO trust regions. Second, we instantiate the problem in a flag-gated harness over a production coding agent and report a controlled four-round manual-tuning case study against a fixed task suite and an end-to-end HARBOR run. The formulation itself is task-class agnostic: the configuration space, reward correction, acquisition, and safety check apply to any agent harness with a bounded flag space and a reproducible task suite.

Large Language Models (LLMs) often struggle with structural ambiguity in optimization problems, where a single problem admits multiple related but conflicting modeling paradigms, hindering effective solution generation. To address this, we propose Dual-Cluster Memory Agent (DCM-Agent) to enhance performance by leveraging historical solutions in a training-free manner. Central to this is Dual-Cluster Memory Construction. This agent assigns historical solutions to modeling and coding clusters, then distills each cluster's content into three structured types: Approach, Checklist, and Pitfall. This process derives generalizable guidance knowledge. Furthermore, this agent introduces Memory-augmented Inference to dynamically navigate solution paths, detect and repair errors, and adaptively switch reasoning paths with structured knowledge. The experiments across seven optimization benchmarks demonstrate that DCM-Agent achieves an average performance improvement of 11%- 21%. Notably, our analysis reveals a ``knowledge inheritance'' phenomenon: memory constructed by larger models can guide smaller models toward superior performance, highlighting the framework's scalability and efficiency.