Automated Machine Learning

Training AI models for computational pathology currently requires access to expensive whole-slide-image datasets, GPU infrastructure, deep expertise in machine learning, and substantial engineering effort. We present CellDX AI Autopilot, a platform that lets users -- from pathologists with no ML background to ML practitioners running many parallel experiments -- train, evaluate, and deploy whole-slide image classifiers through natural language interaction with an AI agent. The platform provides a structured set of agent skills that guide the user through dataset curation, automated hyperparameter tuning, multi-strategy model comparison, and human-in-the-loop deployment, all on a pre-built dataset of over 32,000 cases and 66,000 H&E-stained whole-slide images with pre-extracted features. We describe the agent skill architecture, the underlying Multiple Instance Learning (MIL) training framework supporting four classification strategies, and an iterative pairwise hyperparameter search (grid or seeded random) that reduces tuning cost by over 30x compared to exhaustive search. CellDX AI Autopilot is, to our knowledge, the first system to expose pathology-specialized agent skills and a pathology-specialized training platform to general-purpose AI agents (e.g. any LLM-based agent runtime), delivering end-to-end automated model training without requiring the agent itself to be domain-specific. The platform addresses both the ML-expertise bottleneck that limits adoption in diagnostic pathology and the engineering bottleneck that limits how many experiments a researcher can run cost-effectively.

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.

Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and sequence-based approaches (e.g., large language models), each with its own advantages and limitations. We propose RelAgent, an LLM-based autonomous data scientist for relational learning, which operates in two phases. In the search phase, an LLM agent uses database, validation, and evaluation workspace tools to construct SQL feature programs and select a predictive model. In the inference phase, the resulting program is executed without further LLM calls. The final predictor consists of SQL queries and a classical model, enabling fast, deterministic, and intrinsically interpretable predictions: features are human-readable queries, and predictions depend only on the resulting query-defined feature map, enabling scalable deployment using standard database systems.

This paper compares a PyCaret AutoML branch and a CNN-BiLSTM branch for binary hate speech detection on Indonesian Twitter using the HS label from the corpus of Ibrohim and Budi. Both branches share the same preprocessing pipeline so that the comparison reflects modelling differences rather than inconsistent data preparation. The conventional branch uses TF-IDF with a lexicon-based abusive-word count, whereas the neural branch learns dense token representations and captures both local phrase patterns and bidirectional context. The benchmark is built from the released 13,130-row annotation table, whose HS label yields a 58:42 class ratio. On the held-out split, CNN-BiLSTM achieves the best result with 83.8% accuracy, 79.8% precision, 82.7% recall, and 81.2% F1-score. Within the PyCaret branch, Random Forest is the strongest conventional model with 77.2% accuracy and 77.0% F1-score. The neural branch therefore improves accuracy by 6.6 points and F1-score by 4.2 points. Exploratory corpus analysis, learning curves, and confusion matrices show that the dataset is short-text, moderately imbalanced, and still difficult because many decisions depend on local lexical cues plus short contextual composition. The study concludes that PyCaret AutoML is an effective conventional benchmarking framework, whereas CNN-BiLSTM is the stronger end model for the reported benchmark setting.

Agentic data science (ADS) systems are rapidly improving their capability to autonomously analyze, fit, and interpret data, potentially moving towards a future where agents conduct the vast majority of data-science work. However, current ADS systems use statistical tools designed to be interpretable by humans, rather than interpretable by agents. To address this, we introduce Agentic-imodels, an agentic autoresearch loop that evolves data-science tools designed to be interpretable by agents. Specifically, it develops a library of scikit-learn-compatible regressors for tabular data that are optimized for both predictive performance and a novel LLM-based interpretability metric. The metric measures a suite of LLM-graded tests that probe whether a fitted model's string representation is "simulatable" by an LLM, i.e. whether the LLM can answer questions about the model's behavior by reading its string output alone. We find that the evolved models jointly improve predictive performance and agent-facing interpretability, generalizing to new datasets and new interpretability tests. Furthermore, these evolved models improve downstream end-to-end ADS, increasing performance for Copilot CLI, Claude Code, and Codex on the BLADE benchmark by up to 73%

Automated Machine Learning (AutoML) frameworks increasingly leverage Large Language Models (LLMs) for tasks such as hyperparameter optimization and neural architecture code generation. However, current LLM-based approaches focus on generative outputs and evaluate them by training the produced artifacts. Whether LLMs can learn to reason about neural network performance across datasets remains underexplored. We present a classification task integrated into the NNGPT framework, in which a fine-tuned LLM predicts which of two image classification datasets a given neural network architecture achieves higher accuracy on. The task is built on the LEMUR dataset, which provides standardized PyTorch implementations with reproducible performance metrics. Three prompt configurations of increasing difficulty are evaluated: a normalized-accuracy baseline (trivially reaching 100%), a metadata-enriched prompt replacing accuracies with dataset properties, and a code-only prompt presenting only architecture source code and dataset names. Using DeepSeek-Coder-7B-Instruct fine-tuned with LoRA, the code-only prompt reaches 80% peak accuracy over 15 epochs, while the metadata prompt peaks at 70%. Perdataset analysis reveals complementary strengths: metadata excels for datasets with distinctive properties (CelebAGender at 90.9%) but degrades for overlapping characteristics, whereas the code-only prompt shows more balanced performance. A comparison with DeepSeek-Coder1.3B confirms that model capacity affects this form of architectural reasoning. The results establish that LLMs can be fine-tuned to predict cross-dataset suitability from neural network code, suggesting that architecture source code contains richer discriminative signal than dataset metadata alone.

The purpose of our paper is to develop a unified multi-agent architecture that automates end-to-end machine learning (ML) pipeline generation from datasets and natural-language (NL) goals, improving efficiency, robustness and explainability. A five-agent system is proposed to handle profiling, intent parsing, microservice recommendation, Directed Acyclic Graph (DAG) construction and execution. It integrates code-grounded Retrieval-Augmented Generation (RAG) for microservice understanding, an explainable hybrid recommender combining multiple criteria, a self-healing mechanism using Large Language Model (LLM)-based error interpretation and adaptive learning from execution history. The approach is evaluated on 150 ML tasks across diverse scenarios. The system achieves an 84.7% end-to-end pipeline success rate, outperforming baseline methods. It demonstrates improved robustness through self-healing and reduces workflow development time compared to manual construction. The study introduces a novel integration of code-grounded RAG, explainable recommendation, self-healing execution and adaptive learning within a single architecture, showing that tightly coupled intelligent components can outperform isolated solutions.

In order to automate AI research we introduce a full, end-to-end framework, OMEGA: Optimizing Machine learning by Evaluating Generated Algorithms, that starts at idea generation and ends with executable code. Our system combines structured meta-prompt engineering with executable code generation to create new ML classifiers. The OMEGA framework has been utilized to generate several novel algorithms that outperform scikit-learn baselines across a robust selection of 20 benchmark datasets (infinity-bench). You can access models discussed in this paper and more in the python package: pip install omega-models.

Forecasting when AI systems will become capable of meaningfully accelerating AI research is a central challenge for AI safety. Existing benchmarks measure broad capability growth, but may not provide ample early warning signals for recursive self-improvement. We propose measuring AI's capability to autonomously implement end-to-end machine learning pipelines from past AI research breakthroughs, given a minimal task description. By providing a concise task description instead of the full prior work as reference, we hope to better elicit emerging AI research taste. We introduce a proof-of-concept benchmark in which frontier coding agents autonomously implement an AlphaZero-style machine learning pipeline for Connect Four on consumer hardware within a three-hour budget, and we evaluate the resulting game AIs in a round-robin tournament anchored to the Pascal Pons Connect Four solver. Across four agents with eight trials each, we find substantial differentiation: Claude Opus 4.7 won as first-mover against Pons in seven of eight trials, statistically significantly better than the other agents tested, none of which exceeded two of eight. The task, which no frontier agent could reliably complete when we began development in January of 2026, is now near-saturation. Our evaluation also surfaced anomalous behavior in GPT-5.4, which consistently used far less of its allocated time budget than other agents. A follow-up 16-trial probe using shorter, less evaluation-coded prompts substantially increased GPT-5.4's time-budget usage, consistent with but not diagnostic of sandbagging; Bradley-Terry ratings across probe conditions showed only directional differences, despite significant differences in time-budget usage. We release our data, code, and prompts to support reproduction and extension.

We instruct an AI agent to construct two separate agentic AI platforms: one for autonomous training of predictive ML models for human-human and virus-human PPI, and the other for inducing explicit general rules governing human-human and virus-human PPI. The first agentic AI platform for autonomous training of predictive ML models for PPI is designed to consist of five AI agents that handle autonomous data collection, data verification, feature embedding, model design, and training and validation on three-way protein-disjoint cross-fold datasets. For human-human and human-virus PPIs, the final three-way protein-disjoint ensemble achieves an accuracy of 87.3% and 86.5%, respectively. For cross-checking and interpretability purposes, the second agentic AI platform is designed to replace ML predictions with human-readable rules derived from protein embeddings, physicochemical autocovariance descriptors, compartment annotations, pathway-domain overlap, and graph contexts. For human-human PPI, it is defined by a two-rule induction, whereas human-virus is induced by a more complex set of weighted rules. The rules induced by the second agentic platform align with the SHAP-identified features from the predictive ML models built by the first agentic platform. Taken together, our work demonstrates the agentic AI's ability to orchestrate from data planning to execution, and from rule induction to explanation in ML, opening the door to various applications.

Network security is a critical concern in the digital landscape of today, with users demanding secure browsing experiences and protection of their personal data. This study explores the dynamic integration of Machine Learning (ML) algorithms with Software-Defined Networking (SDN) controllers to enhance network security through adaptive decision mechanisms. The proposed approach enables the system to dynamically choose the most suitable ML algorithm based on the characteristics of the observed network traffic. This work examines the role of Intrusion Detection Systems (IDS) as a fundamental component of secure communication networks and discusses the limitations of SDN-based attack detection mechanisms. The proposed framework uses adaptive model selection to maintain reliable intrusion detection under varying network conditions. The study highlights the importance of analyzing traffic-type-based metrics to define effective classification rules and enhance the performance of ML models. Additionally, it addresses the risks of overfitting and underfitting, underscoring the critical role of hyperparameter tuning in optimizing model accuracy and generalization. The central contribution of this work is an automated mechanism that adaptively selects the most suitable ML algorithm according to real-time network conditions, prioritizing detection robustness and operational feasibility within SDN environments.

We present AgentGA, a framework that evolves autonomous code-generation runs by optimizing the agent seed: the task prompt plus optional parent archives that initialize a fresh workspace. The outer loop searches over these reusable starting conditions rather than editing code directly. Each generation launches a fresh autonomous run in an isolated workspace, while selected parent archives provide inherited artifacts that descendants can inspect and reuse. AgentGA couples a population-level genetic algorithm with long-horizon agents; selection uses deterministic 1:1 elite tournaments and operator allocation is adapted online with a modified Hedge controller. We instantiate the approach for tabular AutoML on the 16-competition Weco-Kaggle Lite benchmark. Across the full benchmark, AgentGA averages 71.90% Exceeds % of Human versus 51.38% for the AIDE reference, winning 15/16 competitions. Within AgentGA runs, descendants conditioned on inherited parent archives win 51.9% of 1,680 parent-child tournaments versus 8.6% for de novo proposals. These results support agent-seed optimization as a practical design choice for autonomous code-search systems.

AI models underpin modern intelligent systems, driving advances across science, medicine, finance, and technology. Yet developing high-performing AI models remains a labor-intensive process that requires expert practitioners to iteratively design architectures, engineer representations, implement training pipelines and refine approaches through empirical evaluation. Existing AutoML methods partially alleviate this burden but remain limited to narrow aspects such as hyperparameter optimization and model selection within predefined search spaces, leaving the full development lifecycle largely dependent on human expertise. To address this gap, we introduce AIBuildAI, an AI agent that automatically builds AI models from a task description and training data. AIBuildAI adopts a hierarchical agent architecture in which a manager agent coordinates three specialized sub-agents: a designer for modeling strategy, a coder for implementation and debugging, and a tuner for training and performance optimization. Each sub-agent is itself a large language model (LLM) based agent capable of multi-step reasoning and tool use, enabling end-to-end automation of the AI model development process that goes beyond the scope of existing AutoML approaches. We evaluate AIBuildAI on MLE-Bench, a benchmark of realistic Kaggle-style AI development tasks spanning visual, textual, time-series and tabular modalities. AIBuildAI ranks first on MLE-Bench with a medal rate of 63.1%, outperforming all existing baseline methods and matching the capability of highly experienced AI engineers. These results demonstrate that hierarchical agent systems can automate the full AI model development process from task specification to deployable model, suggesting a pathway toward broadly accessible AI development with minimal human intervention.

High-fidelity numerical simulation of subsurface flow is computationally intensive, especially for many-query tasks such as uncertainty quantification and data assimilation. Deep learning (DL) surrogates can significantly accelerate forward simulations, yet constructing them requires substantial machine learning (ML) expertise - from architecture design to hyperparameter tuning - that most domain scientists do not possess. Furthermore, the process is predominantly manual and relies heavily on heuristic choices. This expertise gap remains a key barrier to the broader adoption of DL surrogate techniques. For this reason, we present AutoSurrogate, a large-language-model-driven multi-agent framework that enables practitioners without ML expertise to build high-quality surrogates for subsurface flow problems through natural-language instructions. Given simulation data and optional preferences, four specialized agents collaboratively execute data profiling, architecture selection from a model zoo, Bayesian hyperparameter optimization, model training, and quality assessment against user-specified thresholds. The system also handles common failure modes autonomously, including restarting training with adjusted configurations when numerical instabilities occur and switching to alternative architectures when predictive accuracy falls short of targets. In our setting, a single natural-language sentence can be sufficient to produce a deployment-ready surrogate model, with minimum human intervention required at any intermediate stage. We demonstrate the utility of AutoSurrogate on a 3D geological carbon storage modeling task, mapping permeability fields to pressure and CO$_2$ saturation fields over 31 timesteps. Without any manual tuning, AutoSurrogate is able to outperform expert-designed baselines and domain-agnostic AutoML methods, demonstrating strong potential for practical deployment.

The use of artificial intelligence in supply chain forecasting has attracted many scientific studies for several decades. However, the process of selecting an appropriate forecasting solution becomes a daunting task. This complexity arises due to the distinct features inherent to each dataset. Research to tackle this issue has been performed since the eighties but recent development of demand forecasting has opened new perspectives. This research aims to enhance automatic forecasting model selection by proposing a novel architecture that acts as a double deep reinforcement learning agent, selecting automatically a forecasting model from the forecasting committee at the time of prediction. Moreover, a novel early-stopping approach based on average reward convergence has been introduced to expedite training time. To evaluate the model's performance, an empirical study was conducted utilizing grocery sales datasets and snack demands datasets. The experimental results demonstrate the robustness of the proposed approach when compared to state-of-the-art methods.

Machine Learning (ML) systems are increasingly used to support decision-making processes that affect individuals. However, these systems often rely on biased data, which can lead to unfair outcomes against specific groups. With the growing adoption of Automated Machine Learning (AutoML), the risk of intensifying discriminatory behaviours increases, as most frameworks primarily focus on model selection to maximise predictive performance. Previous research on fairness in AutoML had largely followed this trend, integrating fairness awareness only in the model selection or hyperparameter tuning, while neglecting other critical stages of the ML pipeline. This paper aims to study the impact of integrating fairness directly into the optimisation component of an AutoML framework that constructs complete ML pipelines, from data selection and transformations to model selection and tuning. As selecting appropriate fairness metrics remains a key challenge, our work incorporates complementary fairness metrics to capture different dimensions of fairness during the optimisation. Their integration within AutoML resulted in measurable differences compared to a baseline focused solely on predictive performance. Despite a 9.4% decrease in predictive power, the average fairness improved by 14.5%, accompanied by a 35.7% reduction in data usage. Furthermore, fairness integration produced complete yet simpler final solutions, suggesting that model complexity is not always required to achieve balanced and fair ML solutions.

Industrial forecasting often involves multi-source asynchronous signals and multi-output targets, while deployment requires explicit trade-offs between prediction error and model complexity. Current practices typically fix alignment strategies or network designs, making it difficult to systematically co-design preprocessing, architecture, and hyperparameters in budget-limited training-based evaluations. To address this issue, we propose an auto-configuration framework that outputs a deployable Pareto set of forecasting models balancing error and complexity. At the model level, a Multi-Scale Bi-Branch Convolutional Neural Network (MS--BCNN) is developed, where short- and long-kernel branches capture local fluctuations and long-term trends, respectively, for multi-output regression. At the search level, we unify alignment operators, architectural choices, and training hyperparameters into a hierarchical-conditional mixed configuration space, and apply Player-based Hybrid Multi-Objective Evolutionary Algorithm (PHMOEA) to approximate the error--complexity Pareto frontier within a limited computational budget. Experiments on hierarchical synthetic benchmarks and a real-world sintering dataset demonstrate that our framework outperforms competitive baselines under the same budget and offers flexible deployment choices.

Artificial intelligence research increasingly depends on prolonged cycles of reproduction, debugging, and iterative refinement to achieve State-Of-The-Art (SOTA) performance, creating a growing need for systems that can accelerate the full pipeline of empirical model optimization. In this work, we introduce AutoSOTA, an end-to-end automated research system that advances the latest SOTA models published in top-tier AI papers to reproducible and empirically improved new SOTA models. We formulate this problem through three tightly coupled stages: resource preparation and goal setting; experiment evaluation; and reflection and ideation. To tackle this problem, AutoSOTA adopts a multi-agent architecture with eight specialized agents that collaboratively ground papers to code and dependencies, initialize and repair execution environments, track long-horizon experiments, generate and schedule optimization ideas, and supervise validity to avoid spurious gains. We evaluate AutoSOTA on recent research papers collected from eight top-tier AI conferences under filters for code availability and execution cost. Across these papers, AutoSOTA achieves strong end-to-end performance in both automated replication and subsequent optimization. Specifically, it successfully discovers 105 new SOTA models that surpass the original reported methods, averaging approximately five hours per paper. Case studies spanning LLM, NLP, computer vision, time series, and optimization further show that the system can move beyond routine hyperparameter tuning to identify architectural innovation, algorithmic redesigns, and workflow-level improvements. These results suggest that end-to-end research automation can serve not only as a performance optimizer, but also as a new form of research infrastructure that reduces repetitive experimental burden and helps redirect human attention toward higher-level scientific creativity.

Preprocessing leakage arises when scaling, imputation, or other data-dependent transformations are estimated before resampling, inflating apparent performance while remaining hard to detect. We present fastml, an R package that provides a single-call interface for leakage-aware machine learning through guarded resampling, where preprocessing is re-estimated inside each resample and applied to the corresponding assessment data. The package supports grouped and time-ordered resampling, blocks high-risk configurations, audits recipes for external dependencies, and includes sandboxed execution and integrated model explanation. We evaluate fastml with a Monte Carlo simulation contrasting global and fold-local normalization, a usability comparison with tidymodels under matched specifications, and survival benchmarks across datasets of different sizes. The simulation demonstrates that global preprocessing substantially inflates apparent performance relative to guarded resampling. fastml matched held-out performance obtained with tidymodels while reducing workflow orchestration, and it supported consistent benchmarking of multiple survival model classes through a unified interface.

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework for these autonomous agents remains largely unexplored. In this paper, we present a systematic empirical study investigating the comparative efficacy of distinct multi-agent structures for automated machine learning optimization. Utilizing a rigorously controlled, execution-based testbed equipped with Git worktree isolation and explicit global memory, we benchmark a single-agent baseline against two multi-agent paradigms: a subagent architecture (parallel exploration with post-hoc consolidation) and an agent team architecture (experts with pre-execution handoffs). By evaluating these systems under strictly fixed computational time budgets, our findings reveal a fundamental trade-off between operational stability and theoretical deliberation. The subagent mode functions as a highly resilient, high-throughput search engine optimal for broad, shallow optimizations under strict time constraints. Conversely, the agent team topology exhibits higher operational fragility due to multi-author code generation but achieves the deep theoretical alignment necessary for complex architectural refactoring given extended compute budgets. These empirical insights provide actionable guidelines for designing future autoresearch systems, advocating for dynamically routed architectures that adapt their collaborative structures to real-time task complexity.

We present MAGNET (Model Autonomously Growing Network), a decentralized system for autonomous generation, training, and serving of domain-expert language models across commodity hardware. MAGNET integrates four components: (1) autoresearch, an autonomous ML research pipeline that automates dataset generation, hyperparameter exploration, evaluation, and error-driven iteration; (2) BitNet b1.58 ternary training, enabling CPU-native inference via bitnet.cpp without GPU hardware; (3) DiLoCo-based distributed merging for communication-efficient aggregation of domain specialists; and (4) on-chain contribution tracking on the HOOTi EVM chain. We validate autoresearch through three case studies: video safety classification (balanced accuracy 0.9287 to 0.9851), cryptocurrency directional prediction (41% to 54.9% hit rate), and BitNet hyperparameter optimization (10-phase sweep, -16.7% validation loss).

The vast collection of machine learning records available on the web presents a significant opportunity for meta-learning, where past experiments are leveraged to improve performance. Two crucial meta-learning tasks are pipeline performance estimation (PPE), which predicts pipeline performance on target datasets, and dataset performance-based similarity estimation (DPSE), which identifies datasets with similar performance patterns. Existing approaches primarily rely on dataset meta-features (e.g., number of instances, class entropy, etc.) to represent datasets numerically and approximate these meta-learning tasks. However, these approaches often overlook the wealth of past experimental results and pipeline metadata available. This limits their ability to capture dataset - pipeline interactions that reveal performance similarity patterns. In this work, we propose KGmetaSP, a knowledge-graph-embeddings approach that leverages existing experiment data to capture these interactions and improve both PPE and DPSE. We represent datasets and pipelines within a unified knowledge graph (KG) and derive embeddings that support pipeline-agnostic meta-models for PPE and distance-based retrieval for DPSE. To validate our approach, we construct a large-scale benchmark comprising 144,177 OpenML experiments, enabling a rich cross-dataset evaluation. KGmetaSP enables accurate PPE using a single pipeline-agnostic meta-model and improves DPSE over baselines. The proposed KGmetaSP, KG, and benchmark are released, establishing a new reference point for meta-learning and demonstrating how consolidating open experiment data into a unified KG advances the field.

Automating the development of machine learning algorithms has the potential to unlock new breakthroughs. However, our ability to improve and evaluate algorithm discovery systems has thus far been limited by existing task suites. They suffer from many issues, such as: poor evaluation methodologies; data contamination; and containing saturated or very similar problems. Here, we introduce DiscoGen, a procedural generator of algorithm discovery tasks for machine learning, such as developing optimisers for reinforcement learning or loss functions for image classification. Motivated by the success of procedural generation in reinforcement learning, DiscoGen spans billions of tasks of varying difficulty and complexity from a range of machine learning fields. These tasks are specified by a small number of configuration parameters and can be used to optimise algorithm discovery agents (ADAs). We present DiscoBench, a fixed, small subset of DiscoGen tasks for principled evaluation of ADAs. Finally, we propose a number of ambitious, impactful research directions enabled by DiscoGen, and demonstrate its use for ADA optimisation through scaling experiments for automated prompt tuning. DiscoGen is released open-source at https://github.com/AlexGoldie/discogen.

Effective models of Cyber-Physical Systems (CPS) are crucial for their design and operation. Constructing such models is difficult and time-consuming due to the inherent complexity of CPS. As a result, data-driven model generation using machine learning methods is gaining popularity. In this paper, we present Flowcean, a novel framework designed to automate the generation of models through data-driven learning that focuses on modularity and usability. By offering various learning strategies, data processing methods, and evaluation metrics, our framework provides a comprehensive solution, tailored to CPS scenarios. Flowcean facilitates the integration of diverse learning libraries and tools within a modular and flexible architecture, ensuring adaptability to a wide range of modeling tasks. This streamlines the process of model generation and evaluation, making it more efficient and accessible.

Machine learning (ML) systems expose a rapidly expanding configuration space spanning model-parallelism strategies, communication optimizations, and low-level runtime parameters. End-to-end system efficiency is highly sensitive to these choices, yet identifying high-performance configurations is challenging due to heterogeneous feature types (e.g., sparse and dense parameters), conditional dependencies (e.g., valid execution parameters only under specific upstream decisions), and the high search (profiling) cost. Existing approaches either optimize a narrow subset of configuration dimensions or rely on ad-hoc heuristics that fail to generalize as configuration spaces continue to grow. We present AutoScout, a general-purpose systems configurator for ML training, fine-tuning, and inference. It formulates the system configuration as a mixed-discrete/continuous optimization problem with hierarchical dependencies and introduces a hybrid optimization framework that jointly refines sparse structural decisions and dense execution parameters. To reduce profiling cost, AutoScout adaptively prioritizes high-impact configuration features and ensembles simulators with varying fidelity. Across diverse models, hardware platforms, and deployment objectives, AutoScout consistently identifies high-performance configurations, achieving 2.7-3.0$\times$ training speedup over expert-tuned settings.

Databricks job orchestration systems (e.g., LeJOT) reduce cloud costs by selecting low-priced compute configurations while meeting latency and dependency constraints. Accurate execution-time prediction under heterogeneous instance types and non-stationary runtime conditions is therefore critical. Existing pipelines rely on static, manually engineered features that under-capture runtime effects (e.g., partition pruning, data skew, and shuffle amplification), and predictive signals are scattered across logs, metadata, and job scripts-lengthening update cycles and increasing engineering overhead. We present LeJOT-AutoML, an agent-driven AutoML framework that embeds large language model agents throughout the ML lifecycle. LeJOT-AutoML combines retrieval-augmented generation over a domain knowledge base with a Model Context Protocol toolchain (log parsers, metadata queries, and a read-only SQL sandbox) to analyze job artifacts, synthesize and validate feature-extraction code via safety gates, and train/select predictors. This design materializes runtime-derived features that are difficult to obtain through static analysis alone. On enterprise Databricks workloads, LeJOT-AutoML generates over 200 features and reduces the feature-engineering and evaluation loop from weeks to 20-30 minutes, while maintaining competitive prediction accuracy. Integrated into the LeJOT pipeline, it enables automated continuous model updates and achieves 19.01% cost savings in our deployment setting through improved orchestration.

Accurate time series forecasting underpins decision-making in many domains, yetconventional ML development often faces data scarcity, distribution shift, anddiminishing returns from manual iteration. We propose Self-Evolving Agent forTime Series Algorithms (SEATS), a framework that autonomously generates, val-idates, and optimizes forecasting algorithm code through an iterative self-evolutionloop. Our design combines three mechanisms: (1) Metric-Advantage MCTS(MA-MCTS), which replaces fixed rewards with a statistically normalized advan-tage score for search guidance, (2) code review with running prompt refinement,so every successfully executed solution is reviewed and the running prompt encodescorrective patterns for later iterations, and (3) global steerable reasoning, whichcompares each evaluated node to global best- and worst-performing solutions forcross-trajectory transfer. A MAP-Elites archive maintains architectural diversity.Across four datasets and two metrics, SEATS wins seven of eight comparisonsagainst strong baselines TimeMixer, Timer, and SEMixer

OpenAutoNLU is an open-source automated machine learning library for natural language understanding (NLU) tasks, covering both text classification and named entity recognition (NER). Unlike existing solutions, we introduce data-aware training regime selection that requires no manual configuration from the user. The library also provides integrated data quality diagnostics, configurable out-of-distribution (OOD) detection, and large language model (LLM) features, all within a minimal lowcode API. The demo app is accessible here https://openautonlu.dev.

The rapid growth of scientific machine learning (SciML) has accelerated discovery across diverse domains, yet designing effective SciML models remains a challenging task. In practice, building such models often requires substantial prior knowledge and manual expertise, particularly in determining which input features to use and how large the model should be. We introduce LUMOS, an end-to-end framework based on L0-regularized learning that unifies feature selection and model pruning to democratize SciML model design. By employing semi-stochastic gating and reparameterization techniques, LUMOS dynamically selects informative features and prunes redundant parameters during training, reducing the reliance on manual tuning while maintaining predictive accuracy. We evaluate LUMOS across 13 diverse SciML workloads, including cosmology and molecular sciences, and demonstrate its effectiveness and generalizability. Experiments on 13 SciML models show that LUMOS achieves 71.45% parameter reduction and a 6.4x inference speedup on average. Furthermore, Distributed Data Parallel (DDP) training on up to eight GPUs confirms the scalability of

Agent-based AutoML systems rely on large language models to make complex, multi-stage decisions across data processing, model selection, and evaluation. However, existing evaluation practices remain outcome-centric, focusing primarily on final task performance. Through a review of prior work, we find that none of the surveyed agentic AutoML systems report structured, decision-level evaluation metrics intended for post-hoc assessment of intermediate decision quality. To address this limitation, we propose an Evaluation Agent (EA) that performs decision-centric assessment of AutoML agents without interfering with their execution. The EA is designed as an observer that evaluates intermediate decisions along four dimensions: decision validity, reasoning consistency, model quality risks beyond accuracy, and counterfactual decision impact. Across four proof-of-concept experiments, we demonstrate that the EA can (i) detect faulty decisions with an F1 score of 0.919, (ii) identify reasoning inconsistencies independent of final outcomes, and (iii) attribute downstream performance changes to agent decisions, revealing impacts ranging from -4.9% to +8.3% in final metrics. These results illustrate how decision-centric evaluation exposes failure modes that are invisible to outcome-only metrics. Our work reframes the evaluation of agentic AutoML systems from an outcome-based perspective to one that audits agent decisions, offering a foundation for reliable, interpretable, and governable autonomous ML systems.