Automated Algorithm Discovery

Large Language Model (LLM)-based automated algorithm design typically evolves algorithms as complete, indivisible programs. While this whole-program perspective simplifies the search space, it fundamentally couples the useful local logic to its host program. Consequently, valuable code snippets vanish when the overall program is discarded, making it highly difficult to assess the contribution of individual algorithmic components.To address this, we propose Primitive-Aware Code Evolution (PACE), which decouples local logic from complete programs by representing it as persistent units called Executable Algorithmic Primitives (EAPs). To enable code-level transfer, PACE maintains a dynamic set of EAPs. Algorithm evolution is driven by primitive-aware operators that structurally guarantee the retention and cross-program transfer of these components. To evaluate them effectively, PACE leverages Thompson sampling based on parent-relative performance improvements, guiding primitive selection from the set without requiring extra evaluation datasets. Experiments on four tasks demonstrate that PACE effectively discovers competitive algorithms while structurally preserving valuable algorithmic components.

Visual-token pruning can substantially reduce the inference cost of multimodal large language models (MLLMs), yet existing methods largely rely on fixed, handcrafted heuristics and costly expert trial and error. As pruning objectives, budgets, and model architectures diversify, manually navigating the expanding design space becomes increasingly difficult. This paper aims to build an AI4AI framework for visual-token pruning by addressing a natural question: Can large language models automatically design effective visual-token reduction algorithms? Although LLMs possess broad algorithmic knowledge and strong reasoning capabilities, translating such general knowledge into effective solutions for a specialized task remains nontrivial. We argue that the key lies in designing an appropriate search-state representation that connects the internal knowledge of LLMs with the structural requirements and constraints of visual-token pruning. Based on this insight, we propose AutoPrune, a training-free framework for LLM-driven visual-token pruning policy design. At its core, AutoPrune introduces a Token Pruning Domain-Specific Language (TPDSL) comprising 131 reusable atoms for budget control, token scoring, selection constraints, and token reassembly. A key property of TPDSL is that it represents each search state as a residual modification of a strong base policy. This residual formulation narrows the search space and directs the LLM's attention toward the policy components that are most consequential for performance. Experiments on 14 multimodal benchmarks and three MLLM backbones demonstrate the effectiveness, efficiency, and transferability of AutoPrune. Even when removing 94.4% of visual tokens, AutoPrune preserves more than 99% of full-token performance while reducing FLOPs by 9.9x and prefill latency by 6.4x.

Simulated commissioning has become essential for de-risking modern light-source design and commissioning, but the procedures being simulated are still designed entirely by human experts. Their labor-intensive redevelopment after lattice changes makes such studies hard to repeat and limits their use during early design iteration. This Letter demonstrates a closed research loop in which a language-model agent writes commissioning code, tests it in simulation, and improves the algorithm from the results. Applied to RF beam capture in the ALS-U accumulator-ring model, the loop substantially improves a working expert procedure and can construct a working one from a minimal starting point, with more capable models succeeding from less initial code. Extending the same framework to multiple objectives produces 16 non-dominated algorithms spanning physically distinct trade-offs between rapid beam capture and correction of seeded machine errors. This reframes commissioning studies from evaluating human-designed procedures toward a mode in which agents participate directly in discovering accelerator algorithms.

Large language model agents can discover alphas, yet current methods have three weaknesses. The search cannot adapt during the run, automation usually ends at alpha generation while library selection and model choice stay manual, and alpha discovery can read the test window through loop feedback or code problems. We present AutoScientist-Quant, a self evolving search process that regards quantitative research as one budgeted search problem. A single controller conditions every decision on the remaining budget, choosing at each round whether to improve, combine, pivot, or stop, which node to expand, how many alphas to generate, and how to retrieve past trajectories from the shared memory. The same core then selects from the library and tunes the model, closing the loop from hypothesis to deployable strategy. We also review the evaluation pipeline reused from prior work, fix two lookahead problems, and keep the feedback window disjoint from the held out test window, so every comparison tests true generalization. On CSI universes, the framework attains the best value of nearly every metric in every setting, and these conclusions hold across several backbones and markets.

Language models can propose many plausible trading factors, but an autonomous research system must also allocate its evaluation budget, verify its own evidence, and preserve how each candidate was produced. We present AgonAlpha, an architecture that searches over frozen research artifacts---hypotheses, executable expressions, platform evidence, rationales, and review status---rather than formulas alone. To our knowledge, AgonAlpha is the first alpha-mining system to combine verified artifact search, a fresh-context adversarial reviewer with re-execution and veto authority, and pending-aware parallel budget allocation, together with a complete public evidence trail. Independent deployments on WorldQuant BRAIN produced SPECTACULAR-grade alphas across five users and six model backends, with Fitness reaching 9.50 and Sharpe reaching 3.48, while retaining prompt-to-expression provenance for every submission.

Network dismantling is fundamental to analyzing the robustness and vulnerability of complex systems, yet practical heuristics must balance effectiveness and computational efficiency, and are usually designed manually by researchers. Existing large language model based automatic heuristic design methods can generate and screen candidates, yet they have difficulty further transforming candidate quality or failure states during execution into structural-level guid- ance for subsequent generation. We propose AutoSND, a three stage tree search framework for complete network dismantling pro- grams. Stage I broadly explores from simple heuristics and archives execution evidence. Stage II compiles candidate records into struc- tural policies concerning local signals, neighborhood access, and state update ranges. Stage III continues tree search conditioned on these policies and obtains the final quality prioritized and speed prioritized candidates, AutoSND-Q/S. Experiments on 12 real world networks and 3 large real world networks show that AutoSND achieves better search performance and stability and discovers more competitive and structurally interpretable network disman- tling programs. The final candidates form an interpretable structure that uses residual degree as the backbone, adjusts node order with bounded local signals, and restricts the state update range. Code is available at https://github.com/MirrorNew/AutoSND.

Large Language Model-assisted Evolutionary Search (LES) has emerged as a powerful paradigm for automated algorithm design. However, existing LES methods primarily optimize for average performance, inherently directing search effort toward instances that contribute most to this metric while leaving others poorly served, resulting in weak tail robustness and limited real-world reliability. To address this limitation, we propose Dynamic Instance Clustering and Specialized Algorithm Design (DyCA), an LES framework with a feature-free, structure-aware mechanism for constructing reliable algorithm portfolios under heterogeneous instance distributions. DyCA treats instance clustering as a co-evolving component within the search process, reusing accumulated evaluation data as feature-free signals to progressively partition instances with similar algorithmic response patterns. The uncovered clusters decompose the mixed objective into a set of structure-aware sub-objectives, thereby enabling finer-grained and more adaptive guidance for specialized algorithm design. Experimental results across four algorithm design tasks with heterogeneous instances demonstrate that DyCA outperforms state-of-the-art LES baselines, improving tail robustness by an average of 15.2% and overall performance by 7.1% while maintaining competitive head performance.

Automated formulaic alpha discovery aims to generate predictive and interpretable trading signals from large symbolic factor spaces. Its effectiveness is constrained by noisy fitness estimates, market nonstationarity, costly backtesting, semantic redundancy, and conflicting practical objectives. Existing studies employ diverse techniques, including genetic programming (GP), evolutionary algorithms (EAs), reinforcement learning (RL), generative flow networks (GFlowNets), Monte Carlo tree search (MCTS), large language models (LLMs), and agentic workflows, but generally examine them as separate algorithmic families. This article introduces, for the first time, a unified evolutionary computation (EC) perspective on automated formulaic alpha discovery, formulating it as a noisy, dynamic, and multiobjective symbolic evolutionary optimization problem. A six-component analytical framework is developed to characterize existing methods through representation, variation, fitness evaluation, selection, memory, and adaptation. Furthermore, an eight-dimensional, autonomy-oriented evaluation framework is proposed, covering search efficiency, fitness reliability, residual alpha quality, economic diversity, tradability, evolutionary autonomy, robustness to nonstationarity, and reproducibility. Together, these frameworks provide a systematic foundation for unifying heterogeneous approaches, diagnosing component-level limitations, and guiding the development of reliable, adaptive, interpretable, and reproducible autonomous alpha discovery systems.

The rapid development of Large Language Models (LLMs) has opened new avenues for Automated Heuristic Design (AHD) for solving NP-hard combinatorial optimization problems (COPs). However, existing LLM-driven AHD methods are largely confined to rigid solver templates, relegating the search process to isolated module tuning. Transitioning to fully autonomous, system-level algorithm design is essential but fraught with low reliability of generated operators, extremely large search spaces, and ineffective credit assignment. To overcome these drawbacks, this paper proposes a Directed Graph-Guided Automated Algorithm Design framework, termed DGA$_2$D. It structures the open-ended program space as a directed graph, where each node represents a functional operator that can be instantiated using one of multiple candidate code implementations, while directed walks constitute complete algorithmic pipelines. A first-order path-dependent credit assignment mechanism is introduced to evaluate code variations strictly based on their topological context. Extensive experiments across 12 distinct COPs, ranging from complex scheduling to routing, demonstrate the consistent empirical advantages of DGA$_2$D. It reduces the average normalized gap by up to 10.96 percentage points compared to state-of-the-art LLM baselines.

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

Large language models increasingly support scientific and algorithmic discovery through inference-time search over evaluated candidates. Existing adaptive discovery controllers assign credit based only on score progress, even though prompt length, retries, and guidance calls cause search actions to incur different token costs. We prove that cost-blind credit can forfeit all but a vanishing fraction of attainable quality as frontiers multiply and costs diverge. Under a fixed search-side token budget, the controller must decide which frontier is improving and whether its gain justifies the realized cost before the budget is exhausted. We introduce \textbf{CostAda}, a cost-calibrated adaptive controller built around \emph{cost-calibrated frontier utility}. The utility values frontier progress relative to realized action cost and conditions that credit on the remaining budget. CostAda uses this signal to control local exploration intensity, frontier allocation, and budgeted tactic intervention. Cost and remaining budget therefore shape the search rather than serving only as accounting variables or a stopping rule. CostAda reaches the strongest baseline's full-budget quality with at most half the budget on twelve of sixteen benchmark--backbone pairs while achieving the strongest mean final quality on all eight benchmarks under GLM-5 and GPT-5.4.

Automated alpha mining has increasingly adopted large language model (LLM) agents for factor generation and iterative discovery. However, existing LLM-based systems often delegate both factor construction and search decisions to the agent itself, without an explicit exploration space or a principled mechanism for navigating that space. As a result, exploration remains largely implicit and difficult to control or optimize systematically. We introduce AlphaSchema, which constructs and explores a structured space of trading semantics for alpha mining. Each point in this space is a schema plan composed of Event, Context, Qualities, Direction, and Output, specifying the semantics of a candidate factor before implementation. AlphaSchema decouples exploration from implementation: an LLM translates selected schema plans into executable factors, while evaluated rewards are accumulated to learn a surrogate model over the semantic space. An iterative selection mechanism uses this model to balance global exploration, surrogate-guided exploitation, and local mutation. Experiments on the Chinese stock market show that AlphaSchema discovers factor pools with strong predictive and portfolio performance. Further analyses show that the semantic search process navigates diverse regions while increasingly allocating evaluations toward high-reward regions, and that implementations of the same schema plans by different LLMs exhibit comparable predictive quality, suggesting that alpha mining quality is largely robust to the choice of LLM within our framework.

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs), yet their performance heavily relies on the manual, trial-and-error engineering of neural representations, loss formulations, and optimization dynamics. While Large Language Models (LLMs) offer a promising avenue for automated design, unconstrained code generation often yields mathematically invalid or numerically unstable solutions under strict scientific computing constraints. To bridge this gap, we propose \textbf{EvoPINN}, an agentic framework that reformulates PINN development from labor-intensive manual design into a rigorous, execution-grounded algorithm discovery problem. EvoPINN navigates a modular search space by decoupling neural representations from training programs, utilizing an LLM agent to iteratively propose memory-conditioned programmatic modifications. To ensure scientific validity, all candidates undergo strict structural verification and budget-matched PDE evaluation. Extensive experiments across diverse PDE regimes (oscillatory, elliptic, dissipative, and nonlinear transport) demonstrate that EvoPINN discovers PDE-specialized learning algorithms that significantly reduce relative $L_{2}$ error compared to baselines. Crucially, EvoPINN autonomously invented SLRC-PINN, a novel architecture whose performance gains persist under rigorous parameter-matched comparisons, establishing the viability of execution-grounded agents for discovering genuinely new scientific computing mechanisms.

Particle swarm optimization (PSO) is a widely used metaheuristic, prized for its simplicity and small parameter set. Although decades of research have produced numerous PSO variants that improve performance by modifying key components (e.g., parameter schedules, swarm topologies, or updating rules), two fundamental challenges persist. First, most existing approaches are problem-specific and hand-crafted, leading to poor cross-task generalization and forcing practitioners to navigate an impractically large design space, which also hinders systematic reuse of prior effective mechanisms. Second, mainstream implementations remain CPU-bound, constraining scalability and substantially increasing computational cost in real-world applications. To address these challenges, we propose {AutoPSO}, a highly automated metaframework for constructing customized PSO algorithms. AutoPSO formulates PSO-based optimization as a bi-level process: an outer search explores the joint space of effective PSO components, while an inner loop instantiates candidate variants to solve the target task and provide feedback. The outer search operates over a curated, open-design component pool, supporting flexible replacement of the component set and the outer optimizer. Crucially, by leveraging EvoX for population tensorization and batched evaluations, AutoPSO can efficiently assess thousands of particles within practical time budgets. Comprehensive experiments on numerical benchmarks and neuroevolution robotic control tasks demonstrate that AutoPSO consistently discovers novel PSO variants that significantly outperform strong baselines. Ablation and scalability studies further highlight the contribution of individual algorithmic components and confirm that AutoPSO achieves increasing performance gains with larger swarm sizes. Code is available at {https://github.com/EMI-Group/autopso}.

Reusing previously computed results is a long-standing principle for reducing computational cost, but such reuse has largely been confined to a single problem's computation. Sharing computational processes across multiple simultaneously solved problems remains possible in principle, yet designing algorithms that exploit nontrivial cross-task relationships is difficult to do manually. Here, we use machine learning to discover such algorithms automatically. Specifically, based on reservoir computing, we propose a method that uses computation results recorded by dynamic programming for combinatorial optimization problems as features for linear regression, leveraging them to assist other combinatorial optimization computations. We validate the approach on the traveling salesman and subset sum problems. Multiplexing the dynamic programming process improves approximation accuracy over generic features and reduces computation time compared with independent solutions. These results suggest a new form of computation, distinct from conventional computational design, in which multiple processes efficiently share and recycle intermediate results and states.

In HEP data analyses, finding an adequate function to model binned data has largely relied on a manual process: guess a functional form by intuition, fit, examine, then repeat until successful. We show that this iterative process can be automated by a machine using symbolic regression, which performs a data-driven search over function space without requiring prior knowledge of what an adequate function should look like. We present the SymbolFit package, which pairs symbolic regression with uncertainty modeling to target HEP analysis use cases, and demonstrate it on the CMS and ATLAS Run 2 dijet spectra: 560 independent seeded runs across seven simple fit configurations generated over 1000 functions fitting the spectra with $χ^2/\text{NDF}\approx 1$, and 111 of the runs rediscovered the very dijet and UA2 functions used in published dijet searches.

We present AutoIndex, a framework for learning representation programs: executable transformations that map raw documents into the representations exposed to a retrieval system. Rather than tuning retrievers, rerankers, or a small set of preprocessing hyperparameters, AutoIndex searches over programs that slice, enrich, normalize, reweight, or reorganize documents before indexing. At each iteration, AutoIndex performs validation-guided program search, in which agents diagnose failures of the current program and synthesize candidate updates, retaining only updates that improve retrieval quality under the resulting index. We evaluate AutoIndex on CRUMB, a benchmark of heterogeneous retrieval tasks, with BM25 held fixed across all experiments. The learned programs improve recall over a static full-document BM25 baseline on all 8 tasks, with average gains of +8.4% in Recall@100 and +8.3% in nDCG@10, and largest gains of +30.5% in Recall@100 and +43.6% in nDCG@10. These results suggest that document representation should not be treated as a fixed preprocessing choice made before retrieval begins, but as an explicit optimization target. Code to reproduce our results is available at https://github.com/auto-index/autoindex.

Autonomous discovery systems such as OpenEvolve and TTT-Discover are often used as general-purpose harnesses. However, in practice these are composite systems combining several design choices about archives, parent selection, exploration, and budget allocation into a single recipe. Because discovery runs are expensive and inherently stochastic, existing harnesses are often compared using too few independent trials to distinguish key methodological improvements from run-to-run variance. We systematically decompose OpenEvolve-style evolutionary search and the TTT-Discover search harness into its constituent components and systematically evaluate 30 budget-matched harnesses across 12 model-problem pairs using more than 3.1 million LLM rollouts and repeated-trial statistical analysis. Our results show that discovery harnesses have a generalization problem: No fixed harness is reliably superior across the evaluated model-problem pairs, and variants of OpenEvolve generally underperform simpler alternatives. Thus, harness choice is better viewed as a hyperparameter rather than as a universal recipe, and should be tailored to the specific problem and underlying model. We also find that early discovery progress predicts final performance, and use this property to present a budget-matched adaptive-allocation experiment that starts multiple harnesses, prunes weak partial runs, and reallocates compute to stronger survivors, outperforming both commitment to a randomly sampled fixed harness and a non-adaptive harness ensemble. Together, these results motivate shifting from fixed harness selection to online adaptation guided by early performance. We release all run pools including baseline null distributions for every model-problem pair as reusable statistical infrastructure against for future harness proposals.

Large language model (LLM)-driven evolutionary search is an emerging algorithm-discovery paradigm that has already produced novel results in several scientific fields. Yet its application to wireless communications remains largely unexplored. To bridge this gap, we introduce The AI Telco Engineer (AITE), a framework to autonomously design algorithms for complex communication problems, while navigating performance-complexity tradeoffs. We showcase AITE on two challenging physical-layer problems: designing an equalizer for an orthogonal time-frequency space (OTFS) system, and constructing a receiver algorithm for an orthogonal frequency-division multiplexing (OFDM) system using a custom constellation and operating without pilots. For the first task, AITE develops algorithms that outperform the best-known solutions while reducing computational latency by a factor of 3.6 compared to the strongest baseline. For the second task, it discovers the first explicit, explainable algorithms that achieve performance parity with state-of-the-art neural receivers. These results demonstrate the strong potential of LLM-driven evolutionary search for the autonomous discovery of next-generation wireless communications algorithms.

Auto Research uses language-model agents to propose, implement, and evaluate machine-learning changes in a closed loop, but is usually judged by its terminal pipeline. A terminal score cannot reveal which technical decision produced a gain or distinguish a reusable discovery from a change adapted to development feedback. We introduce intervention-centered Auto Research, which validates research decisions rather than only final artifacts and makes their reliability measurable. Feature, Model, Representation, and Data axes are searched independently with inner five-fold feedback. Each axis winner is frozen before an outer-holdout matrix compares all alternatives on evidence the loop never sees. Across 701 agent-executed attempts spanning ten Matbench endpoints, outer evidence confirms the selected intervention on nine of ten endpoints and preserves 89.3% of non-tied intervention orderings. It also rejects an aggregate Representation gain that inner feedback endorsed. The resulting matrix reveals an information-dependent hierarchy. Composition-only tasks support several routes to improvement, whereas structure-informed tasks favor local geometry features and complementary tree ensembles. A subsequent compatibility test combines already frozen Feature and Model code without further search or tuning and raises mean outer-holdout improvement from 19.0% to 26.3%. By validating decisions rather than only artifacts, this design turns adaptive search into reusable evidence wherever agents propose executable alternatives against a fixed evaluator.

We demonstrate that AI-driven program synthesis can autonomously discover fundamental strategies for decomposing unitary matrices in photonic networks. By extending DreamCoder to complex-valued linear algebra, the system generates decomposition programs achieving the minimal $N(N-1)/2$ Mach-Zehnder interferometers, distinct from both Reck and Clements architectures. Learned programs encode dimension-agnostic invariants: strategies discovered for $5 \times 5$ matrices generalize to higher dimensions such as $64 \times 64$. The discovered programs encode interpretable, dimension-agnostic construction rules. These rules generalize across matrix sizes without retraining, demonstrating that autonomous program synthesis can serve as a scalable paradigm for algorithm discovery and the automated design of universal unitary operators. Beyond universal decompositions, the system automatically exploits matrix structure to reduce the interferometer count below the universal theoretical bound. For instance, for Householder matrices, it discovers a dimension-independent rule that requires only $2N-3$ MZIs. This achieves linear, rather than quadratic, scaling and generalizes to arbitrary $N$ without retraining. For matrices obtained from the singular value decomposition of sparse matrices, reductions generally increase with sparsity, reaching up to 38% fewer MZIs than the universal theoretical bound $N(N-1)/2$ at 95% sparsity. These MZI reductions translate directly into practical hardware benefits for scalable photonic implementations. Taken together, the system functions as a single unified engine that discovers both universal decomposition rules and matrix-specific optimizations, without being provided with the structural or analytical properties of the input matrices.

Financial markets are noisy, non-stationary, and high-dimensional, making it difficult to discover predictive and robust trading signals. Alpha discovery has evolved from manual factor design to machine learning, evolutionary search, and recent LLM-based frameworks, improving the efficiency of factor generation, search, and evaluation. However, existing methods still mostly automate isolated steps, rather than functioning as end-to-end quant researchers that can absorb external knowledge, close the hypothesis-to-code validation loop, and learn from accumulated discovery feedback. To fill this gap, we introduce XAlpha, a memory-driven AI Quant Researcher for continuous hypothesis-to-code alpha discovery. XAlpha maintains a multi-source research memory system that integrates report-grounded financial knowledge with discovery feedback from prior generations and research cycles. Guided by this memory system, a Macro Brain plans research themes and selects suitable Archetypes; a Micro Brain transforms the planned hypothesis pool into executable factor code and verifies ex-ante tri-alignment among the hypothesis idea, code logic, and financial plausibility; and a Cross Brain consolidates empirical outcomes into generation-level feedback, cycle-level summaries, and archetype-level research cues for future exploration. In this way, XAlpha turns alpha mining from isolated factor generation into a closed-loop research process that continuously reads, hypothesizes, implements, validates, reflects, and evolves. Experiments on CSI300 show that XAlpha achieves stronger overall alpha discovery performance than representative baselines.

Designing effective multi-objective Bayesian optimization (MOBO) algorithms requires balancing many interdependent design choices whose optimal configuration is problem-dependent and typically demands deep expertise. We extend the LLaMEA framework to MOBO, using large language models as mutation and crossover operators within evolutionary strategies to generate complete algorithm implementations, with SMAC hyperparameter optimization integrated into the evolutionary loop. Across nine evolutionary runs we generated approximately 900 algorithms and benchmarked them on twelve synthetic problems (ZDT, DTLZ, WFG) and three real-world engineering problems (RE), using a BoFire qParEGO implementation as a state-of-the-art Bayesian-optimization baseline. On the synthetic suite the strongest generated algorithm attains the highest mean normalized hypervolume (0.971, vs. 0.869 for qParEGO) while requiring roughly 60x less wall-clock time; a Friedman test with post-hoc analysis places the two in a single top-performing group, and per-problem tests find the generated algorithm significantly better than qParEGO on 7 of the 12 problems and never worse, matching state-of-the-art accuracy at an order-of-magnitude lower cost. On the three unseen real-world engineering problems a generated algorithm attains the best mean normalized hypervolume (0.985, vs. 0.971 for qParEGO)--significantly better than qParEGO on two of the three problems--at roughly 3.4x lower wall-clock cost, confirming that the gains transfer beyond the synthetic regime. LLM-driven evolutionary search can thus discover algorithm designs that achieve Pareto-efficient trade-offs difficult to reach through manual design.

The integration of Large Language Models (LLMs) with evolutionary computation has emerged as a powerful paradigm for automated heuristic design in combinatorial optimization. However, existing approaches suffer from mode collapse, converging to homogeneous populations that lack semantic diversity and fail to explore the full algorithmic space. We propose Quality-Diversity Evolution (QDEvo), a multi-objective framework that integrates Quality-Diversity optimization with LLM-driven heuristic search, maintaining an unbounded archive of semantically diverse algorithms using pre-trained code embeddings and incorporating hierarchical self-reflection to guide the evolutionary process. Extensive experiments across standard benchmarks and real-world industrial applications demonstrate that QDEvo significantly outperforms state-of-the-art methods in both Hypervolume and Inverted Generational Distance metrics. Our framework enables the discovery of heuristics that are simultaneously high-performing, computationally efficient, and semantically diverse, providing practitioners with a rich portfolio of solutions for complex optimization problems.

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.

Federated learning (FL) research often depends on many small but consequential algorithmic choices: optimizer variants, server aggregation rules, local training schedules, normalization, regularization, and model architecture. These choices are expensive to explore manually and difficult to compare fairly when candidate changes can also alter the FL training or evaluation path. In this work, we present Auto-FL-Research (AFR), a constrained coding-agent workflow for FL algorithmic recipe search. Agents may propose and implement candidate training algorithms, including server aggregation rules, client update schedules, local objectives, and registered model variants, while task profiles fix the mutation surface, compute budget, communication contract, and final model evaluation. Each campaign records candidate scores, runtime, edited files, artifacts, and failure status. We evaluate AFR on five healthcare cross-silo FLamby tasks and on grouped-client profiles for the five fixed LEAF datasets plus the LEAF synthetic task. Five-seed repeat evaluations support gains on four FLamby tasks and five of six LEAF profiles, while also exposing seed-sensitive and search-selected failure cases. Same-budget controls show that several gains correspond to FL-recipe changes, whereas other improvements are recovered by fixed-surface scalar controls or fail under repeat or held-out evaluation. These mixed outcomes are part of the contribution: they show how agent-generated candidates can be separated into repeated FL mechanisms, fixed-surface tuning effects, and selected single-run artifacts.

Automated Heuristic Design (AHD) with Large Language Models (LLMs) has shown remarkable progress in discovering high-quality heuristics. However, existing LLM-based AHD methods optimize heuristics for a fixed training instance set and may fail catastrophically when deployed under real-world distributional shifts. We propose Robust Adversary Instance Search (RAISE), a framework that integrates constrained worst-case instance search within a principled neighborhood of the training distribution into the LLM-based evolutionary search loop. RAISE treats robust AHD as a constrained adversarial instance search problem: the outer loop evolves heuristics via LLM operators, while an LLM-free inner loop efficiently identifies hard instances within an epsilon-ball around the training instance set using a basis distribution parameterization with boundary projection. Comprehensive experiments on Online Bin Packing (OBP), Online Job Shop Scheduling (OJSP), and Online Vehicle Routing (OVRP) across five distribution families demonstrate that existing LLM-based AHD methods degrade by up to 19 times under distribution shift, while RAISE consistently maintains strong performance across all tested distributions and problem scales

Designing an algorithm from a natural-language problem statement requires identifying the problem structure, reading constraints, choosing a suitable paradigm, checking correctness, and refining complexity. Existing large language model (LLM) methods often rely on direct generation or generic self-refinement, leaving these steps implicit. We propose AlgoSkill, which models algorithm design as sequential decision-making over a typed library of algorithmic skills, including abstraction, constraint analysis, state design, data-structure selection, proof checking, counterexample construction, and complexity refinement. A learned scheduler proposes skills from the current design state, while a Monte Carlo Tree Search (MCTS) controller explores skill sequences using verification feedback from compilation, testing, stress testing, and complexity analysis. Experiments on competitive programming and combinatorial optimization benchmarks show that AlgoSkill improves over direct LLM generation, chain-of-thought prompting, self-refinement, and MCTS without typed skills. Ablations show that typed skills, verification-based repair, and search-based scheduling each contribute to performance. These results support treating automatic algorithm design as verification-guided skill scheduling rather than one-shot code generation.

LLM-assisted evolutionary search (LES) has emerged as a promising paradigm for automated algorithm design. However, existing methods usually suffer from two inherent limitations when facing the automated design of real-world complex algorithms that usually consist of multiple components. The first limitation is that they either focus on modifying entire algorithms, making it difficult to reuse high-quality components, or concentrate on component refinement within a limited set of predefined multicomponent configurations. The second limitation is the insufficient explicit modeling and exploitation of algorithm semantics. These limitations severely degrade search efficiency and hinder effective exploration of complex design spaces. Therefore, this paper proposes STABLE (Semantics-Aware Bilevel Co-Evolution), an LES method purpose-built for automated multicomponent algorithm design that introduces structural algorithm formulation and semantics-driven evolution. In STABLE, complex algorithms are organized into hierarchical and modular architectures rooted in domain knowledge, aligning the search space with their intrinsic compositional traits. Based on this structured algorithm formulation, STABLE simultaneously optimizes high-level multicomponent configurations and low-level functional components, enabling coordinated cross-level updates while maintaining suitable granularities for design space exploration. At each level, STABLE establishes a multi-faceted semantic model to assist LLMs in capturing structural correlations, functional compatibilities, and inherent rationalities among algorithm components. This semantic model serves as the core guidance for evolutionary search, enabling principled algorithm generation and algorithm evaluation. Extensive experiments demonstrate that STABLE outperform both human-designed baselines and those from advanced LES methods.

Automated alpha mining holds the scoring function fixed and varies the search algorithm over it. A search that converges against a fixed scorer overfits whatever the scorer cannot penalize, a primary cause of the out-of-sample generalization gap. We treat the scoring function as a search artifact alongside the alpha factors and study what conditions make this joint search admissible. Sealed Joint Search (SJS) is a framework: a set of structural conditions on information flow in an autonomous-discovery system that prevent joint search from collapsing into self-confirmation while keeping the evaluator sealed. Conditions cover role decomposition, typed inter-role communication, provenance-sealed reads, versioned stores, and substrate-local promotion. Agora tests SJS empirically: five LLM agent classes communicate via three channels, evolving eight skill libraries, with alpha libraries built on AlphaGen operators. Three evaluators write reports aggregated into one brief, carrying forward disagreement instead of voting. We run Agora for 100 rounds on CSI 1000 and evaluate on a 91-day 2026 holdout sealed from all LLM inputs. Agora achieves holdout Sharpe +1.87; best baseline +1.334 at favorable seed and -0.755 cross-seed mean. Pre-loading Agora's two metrics into a frozen-library ablation recovers only +0.40 of the +2.25 Sharpe gap, and adding PPO without library evolution worsens the gap. The two metrics emerge rather than being designed. Caveats: single-seed run, short-side concentrated signal, intended for long-short.