As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our $\href{https://github.com/automl/CAAFE}{code}$, a simple $\href{https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a}{demo}$ and a $\href{https://pypi.org/project/caafe/}{python\ package}$.
This paper studies the best practices for automatic machine learning (AutoML). While previous AutoML efforts have predominantly focused on unimodal data, the multimodal aspect remains under-explored. Our study delves into classification and regression problems involving flexible combinations of image, text, and tabular data. We curate a benchmark comprising 22 multimodal datasets from diverse real-world applications, encompassing all 4 combinations of the 3 modalities. Across this benchmark, we scrutinize design choices related to multimodal fusion strategies, multimodal data augmentation, converting tabular data into text, cross-modal alignment, and handling missing modalities. Through extensive experimentation and analysis, we distill a collection of effective strategies and consolidate them into a unified pipeline, achieving robust performance on diverse datasets.
Learning curve extrapolation predicts neural network performance from early training epochs and has been applied to accelerate AutoML, facilitating hyperparameter tuning and neural architecture search. However, existing methods typically model the evolution of learning curves in isolation, neglecting the impact of neural network (NN) architectures, which influence the loss landscape and learning trajectories. In this work, we explore whether incorporating neural network architecture improves learning curve modeling and how to effectively integrate this architectural information. Motivated by the dynamical system view of optimization, we propose a novel architecture-aware neural differential equation model to forecast learning curves continuously. We empirically demonstrate its ability to capture the general trend of fluctuating learning curves while quantifying uncertainty through variational parameters. Our model outperforms current state-of-the-art learning curve extrapolation methods and pure time-series modeling approaches for both MLP and CNN-based learning curves. Additionally, we explore the applicability of our method in Neural Architecture Search scenarios, such as training configuration ranking.
In our project WatchPlant, we propose to use a decentralized network of living plants as air-quality sensors by measuring their electrophysiology to infer the environmental state, also called phytosensing. We conducted in-lab experiments exposing ivy (Hedera helix) plants to ozone, an important pollutant to monitor, and measured their electrophysiological response. However, there is no well established automated way of detecting ozone exposure in plants. We propose a generic automatic toolchain to select a high-performance subset of features and highly accurate models for plant electrophysiology. Our approach derives plant- and stimulus-generic features from the electrophysiological signal using the tsfresh library. Based on these features, we automatically select and optimize machine learning models using AutoML. We use forward feature selection to increase model performance. We show that our approach successfully classifies plant ozone exposure with accuracies of up to 94.6% on unseen data. We also show that our approach can be used for other plant species and stimuli. Our toolchain automates the development of monitoring algorithms for plants as pollutant monitors. Our results help implement significant advancements for phytosensing devices contributing to the development of cost-effective, high-density urban air monitoring systems in the future.
Synthetic datasets are important for evaluating and testing machine learning models. When evaluating real-life recommender systems, high-dimensional categorical (and sparse) datasets are often considered. Unfortunately, there are not many solutions that would allow generation of artificial datasets with such characteristics. For that purpose, we developed a novel framework for generating synthetic datasets that are diverse and statistically coherent. Our framework allows for creation of datasets with controlled attributes, enabling iterative modifications to fit specific experimental needs, such as introducing complex feature interactions, feature cardinality, or specific distributions. We demonstrate the framework's utility through use cases such as benchmarking probabilistic counting algorithms, detecting algorithmic bias, and simulating AutoML searches. Unlike existing methods that either focus narrowly on specific dataset structures, or prioritize (private) data synthesis through real data, our approach provides a modular means to quickly generating completely synthetic datasets we can tailor to diverse experimental requirements. Our results show that the framework effectively isolates model behavior in unique situations and highlights its potential for significant advancements in the evaluation and development of recommender systems. The readily-available framework is available as a free open Python package to facilitate research with minimal friction.
Utilizing machine learning techniques has always required choosing hyperparameters. This is true whether one uses a classical technique such as a KNN or very modern neural networks such as Deep Learning. Though in many applications, hyperparameters are chosen by hand, automated methods have become increasingly more common. These automated methods have become collectively known as automated machine learning, or AutoML. Several automated selection algorithms have shown similar or improved performance over state-of-the-art methods. This breakthrough has led to the development of cloud-based services like Google AutoML, which is based on Deep Learning and is widely considered to be the industry leader in AutoML services. Extreme Learning Machines (ELMs) use a fundamentally different type of neural architecture, producing better results at a significantly discounted computational cost. We benchmark the Extreme AutoML technology against Google's AutoML using several popular classification data sets from the University of California at Irvine's (UCI) repository, and several other data sets, observing significant advantages for Extreme AutoML in accuracy, Jaccard Indices, the variance of Jaccard Indices across classes (i.e. class variance) and training times.
In this paper, we present an automated machine learning (AutoML) approach for network intrusion detection, leveraging a stacked ensemble model developed using the MLJAR AutoML framework. Our methodology combines multiple machine learning algorithms, including LightGBM, CatBoost, and XGBoost, to enhance detection accuracy and robustness. By automating model selection, feature engineering, and hyperparameter tuning, our approach reduces the manual overhead typically associated with traditional machine learning methods. Extensive experimentation on the NSL-KDD dataset demonstrates that the stacked ensemble model outperforms individual models, achieving high accuracy and minimizing false positives. Our findings underscore the benefits of using AutoML for network intrusion detection, as the AutoML-driven stacked ensemble achieved the highest performance with 90\% accuracy and an 89\% F1 score, outperforming individual models like Random Forest (78\% accuracy, 78\% F1 score), XGBoost and CatBoost (both 80\% accuracy, 80\% F1 score), and LightGBM (78\% accuracy, 78\% F1 score), providing a more adaptable and efficient solution for network security applications.
Federated Learning (FL) is a decentralized learning approach that protects sensitive information by utilizing local model parameters rather than sharing clients' raw datasets. While this privacy-preserving method is widely employed across various applications, it still requires significant development and optimization. Automated Machine Learning (Auto-ML) has been adapted for reducing the need for manual adjustments. Previous studies have explored the integration of AutoML with different FL algorithms to evaluate their effectiveness in enhancing FL settings. However, Automated FL (Auto-FL) faces additional challenges due to the involvement of a large cohort of clients and global training rounds between clients and the server, rendering the tuning process time-consuming and nearly impossible on resource-constrained edge devices (e.g., IoT devices). This paper investigates the deployment and integration of two lightweight Hyper-Parameter Optimization (HPO) tools, Raytune and Optuna, within the context of FL settings. A step-wise feedback mechanism has also been designed to accelerate the hyper-parameter tuning process and coordinate AutoML toolkits with the FL server. To this end, both local and global feedback mechanisms are integrated to limit the search space and expedite the HPO process. Further, a novel client selection technique is introduced to mitigate the straggler effect in Auto-FL. The selected hyper-parameter tuning tools are evaluated using two benchmark datasets, FEMNIST, and CIFAR10. Further, the paper discusses the essential properties of successful HPO tools, the integration mechanism with the FL pipeline, and the challenges posed by the distributed and heterogeneous nature of FL environments.
Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of Large Language Models (LLMs) into ML workflows has shown great potential for automating and enhancing various stages of the ML pipeline. This survey provides a comprehensive and up-to-date review of recent advancements in using LLMs to construct and optimize ML workflows, focusing on key components encompassing data and feature engineering, model selection and hyperparameter optimization, and workflow evaluation. We discuss both the advantages and limitations of LLM-driven approaches, emphasizing their capacity to streamline and enhance ML workflow modeling process through language understanding, reasoning, interaction, and generation. Finally, we highlight open challenges and propose future research directions to advance the effective application of LLMs in ML workflows.
Price forecasting for used construction equipment is a challenging task due to spatial and temporal price fluctuations. It is thus of high interest to automate the forecasting process based on current market data. Even though applying machine learning (ML) to these data represents a promising approach to predict the residual value of certain tools, it is hard to implement for small and medium-sized enterprises due to their insufficient ML expertise. To this end, we demonstrate the possibility of substituting manually created ML pipelines with automated machine learning (AutoML) solutions, which automatically generate the underlying pipelines. We combine AutoML methods with the domain knowledge of the companies. Based on the CRISP-DM process, we split the manual ML pipeline into a machine learning and non-machine learning part. To take all complex industrial requirements into account and to demonstrate the applicability of our new approach, we designed a novel metric named method evaluation score, which incorporates the most important technical and non-technical metrics for quality and usability. Based on this metric, we show in a case study for the industrial use case of price forecasting, that domain knowledge combined with AutoML can weaken the dependence on ML experts for innovative small and medium-sized enterprises which are interested in conducting such solutions.
The increasing popularity of deep learning models has created new opportunities for developing AI-based recommender systems. Designing recommender systems using deep neural networks requires careful architecture design, and further optimization demands extensive co-design efforts on jointly optimizing model architecture and hardware. Design automation, such as Automated Machine Learning (AutoML), is necessary to fully exploit the potential of recommender model design, including model choices and model-hardware co-design strategies. We introduce a novel paradigm that utilizes weight sharing to explore abundant solution spaces. Our paradigm creates a large supernet to search for optimal architectures and co-design strategies to address the challenges of data multi-modality and heterogeneity in the recommendation domain. From a model perspective, the supernet includes a variety of operators, dense connectivity, and dimension search options. From a co-design perspective, it encompasses versatile Processing-In-Memory (PIM) configurations to produce hardware-efficient models. Our solution space's scale, heterogeneity, and complexity pose several challenges, which we address by proposing various techniques for training and evaluating the supernet. Our crafted models show promising results on three Click-Through Rates (CTR) prediction benchmarks, outperforming both manually designed and AutoML-crafted models with state-of-the-art performance when focusing solely on architecture search. From a co-design perspective, we achieve 2x FLOPs efficiency, 1.8x energy efficiency, and 1.5x performance improvements in recommender models.
Protein engineering is important for biomedical applications, but conventional approaches are often inefficient and resource-intensive. While deep learning (DL) models have shown promise, their training or implementation into protein engineering remains challenging for biologists without specialized computational expertise. To address this gap, we propose AutoProteinEngine (AutoPE), an agent framework that leverages large language models (LLMs) for multimodal automated machine learning (AutoML) for protein engineering. AutoPE innovatively allows biologists without DL backgrounds to interact with DL models using natural language, lowering the entry barrier for protein engineering tasks. Our AutoPE uniquely integrates LLMs with AutoML to handle model selection for both protein sequence and graph modalities, automatic hyperparameter optimization, and automated data retrieval from protein databases. We evaluated AutoPE through two real-world protein engineering tasks, demonstrating substantial performance improvements compared to traditional zero-shot and manual fine-tuning approaches. By bridging the gap between DL and biologists' domain expertise, AutoPE empowers researchers to leverage DL without extensive programming knowledge. Our code is available at https://github.com/tsynbio/AutoPE.
In today's data-driven world, the ability to extract meaningful information from data is becoming essential for businesses, organizations and researchers alike. For that purpose, a wide range of tools and systems exist addressing data-related tasks, from data integration, preprocessing and modeling, to the interpretation and evaluation of the results. As data continues to grow in volume, variety, and complexity, there is an increasing need for advanced but user-friendly tools, such as intelligent discovery assistants (IDAs) or automated machine learning (AutoML) systems, that facilitate the user's interaction with the data. This enables non-expert users, such as citizen data scientists, to leverage powerful data analytics techniques effectively. The assistance offered by IDAs or AutoML tools should not be guided only by the analytical problem's data but should also be tailored to each individual user. To this end, this work explores the usage of Knowledge Graphs (KG) as a basic framework for capturing in a human-centered manner complex analytics workflows, by storing information not only about the workflow's components, datasets and algorithms but also about the users, their intents and their feedback, among others. The data stored in the generated KG can then be exploited to provide assistance (e.g., recommendations) to the users interacting with these systems. To accomplish this objective, two methods are explored in this work. Initially, the usage of query templates to extract relevant information from the KG is studied. However, upon identifying its main limitations, the usage of link prediction with knowledge graph embeddings is explored, which enhances flexibility and allows leveraging the entire structure and components of the graph. The experiments show that the proposed method is able to capture the graph's structure and to produce sensible suggestions.
In this paper, we present a complete framework for quickly calibrating and administering a robust large-scale computerized adaptive test (CAT) with a small number of responses. Calibration - learning item parameters in a test - is done using AutoIRT, a new method that uses automated machine learning (AutoML) in combination with item response theory (IRT), originally proposed in [Sharpnack et al., 2024]. AutoIRT trains a non-parametric AutoML grading model using item features, followed by an item-specific parametric model, which results in an explanatory IRT model. In our work, we use tabular AutoML tools (AutoGluon.tabular, [Erickson et al., 2020]) along with BERT embeddings and linguistically motivated NLP features. In this framework, we use Bayesian updating to obtain test taker ability posterior distributions for administration and scoring. For administration of our adaptive test, we propose the BanditCAT framework, a methodology motivated by casting the problem in the contextual bandit framework and utilizing item response theory (IRT). The key insight lies in defining the bandit reward as the Fisher information for the selected item, given the latent test taker ability from IRT assumptions. We use Thompson sampling to balance between exploring items with different psychometric characteristics and selecting highly discriminative items that give more precise information about ability. To control item exposure, we inject noise through an additional randomization step before computing the Fisher information. This framework was used to initially launch two new item types on the DET practice test using limited training data. We outline some reliability and exposure metrics for the 5 practice test experiments that utilized this framework.
The increasing integration of machine learning across various domains has underscored the necessity for accessible systems that non-experts can utilize effectively. To address this need, the field of automated machine learning (AutoML) has developed tools to simplify the construction and optimization of ML pipelines. However, existing AutoML solutions often lack efficiency in creating online pipelines and ease of use for Human-Computer Interaction (HCI) applications. Therefore, in this paper, we introduce AdaptoML-UX, an adaptive framework that incorporates automated feature engineering, machine learning, and incremental learning to assist non-AI experts in developing robust, user-centered ML models. Our toolkit demonstrates the capability to adapt efficiently to diverse problem domains and datasets, particularly in HCI, thereby reducing the necessity for manual experimentation and conserving time and resources. Furthermore, it supports model personalization through incremental learning, customizing models to individual user behaviors. HCI researchers can employ AdaptoML-UX (\url{https://github.com/MichaelSargious/AdaptoML_UX}) without requiring specialized expertise, as it automates the selection of algorithms, feature engineering, and hyperparameter tuning based on the unique characteristics of the data.
This work presents a novel data augmentation solution for non-stationary multivariate time series and its application to failure prognostics. The method extends previous work from the authors which is based on time-varying autoregressive processes. It can be employed to extract key information from a limited number of samples and generate new synthetic samples in a way that potentially improves the performance of PHM solutions. This is especially valuable in situations of data scarcity which are very usual in PHM, especially for failure prognostics. The proposed approach is tested based on the CMAPSS dataset, commonly employed for prognostics experiments and benchmarks. An AutoML approach from PHM literature is employed for automating the design of the prognostics solution. The empirical evaluation provides evidence that the proposed method can substantially improve the performance of PHM solutions.
Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.
Current automatic deep learning (i.e., AutoDL) frameworks rely on training feedback from actual runs, which often hinder their ability to provide quick and clear performance predictions for selecting suitable DL systems. To address this issue, we propose EfficientDL, an innovative deep learning board designed for automatic performance prediction and component recommendation. EfficientDL can quickly and precisely recommend twenty-seven system components and predict the performance of DL models without requiring any training feedback. The magic of no training feedback comes from our proposed comprehensive, multi-dimensional, fine-grained system component dataset, which enables us to develop a static performance prediction model and comprehensive optimized component recommendation algorithm (i.e., {\alpha}\b{eta}-BO search), removing the dependency on actually running parameterized models during the traditional optimization search process. The simplicity and power of EfficientDL stem from its compatibility with most DL models. For example, EfficientDL operates seamlessly with mainstream models such as ResNet50, MobileNetV3, EfficientNet-B0, MaxViT-T, Swin-B, and DaViT-T, bringing competitive performance improvements. Besides, experimental results on the CIFAR-10 dataset reveal that EfficientDL outperforms existing AutoML tools in both accuracy and efficiency (approximately 20 times faster along with 1.31% Top-1 accuracy improvement than the cutting-edge methods). Source code, pretrained models, and datasets are available at https://github.com/OpenSELab/EfficientDL.
To coordinate the interests of operator and users in a microgrid under complex and changeable operating conditions, this paper proposes a microgrid scheduling model considering the thermal flexibility of thermostatically controlled loads and demand response by leveraging physical informed-inspired deep reinforcement learning (DRL) based bi-level programming. To overcome the non-convex limitations of karush-kuhn-tucker (KKT)-based methods, a novel optimization solution method based on DRL theory is proposed to handle the bi-level programming through alternate iterations between levels. Specifically, by combining a DRL algorithm named asynchronous advantage actor-critic (A3C) and automated machine learning-prioritized experience replay (AutoML-PER) strategy to improve the generalization performance of A3C to address the above problems, an improved A3C algorithm, called AutoML-PER-A3C, is designed to solve the upper-level problem; while the DOCPLEX optimizer is adopted to address the lower-level problem. In this solution process, AutoML is used to automatically optimize hyperparameters and PER improves learning efficiency and quality by extracting the most valuable samples. The test results demonstrate that the presented approach manages to reconcile the interests between multiple stakeholders in MG by fully exploiting various flexibility resources. Furthermore, in terms of economic viability and computational efficiency, the proposal vastly exceeds other advanced reinforcement learning methods.
Automated Machine Learning (AutoML) has simplified complex ML processes such as data pre-processing, model selection, and hyper-parameter searching. However, traditional AutoML frameworks focus solely on discriminative tasks, often falling short in tackling AutoML for generative models. Additionally, these frameworks lack interpretability and user engagement during the training process, primarily due to the absence of human-centered design. It leads to a lack of transparency in final decision-making and limited user control, potentially reducing trust and adoption of AutoML methods. To address these limitations, we introduce UniAutoML, a human-centered AutoML framework that leverages Large Language Models (LLMs) to unify AutoML for both discriminative (e.g., Transformers and CNNs for classification or regression tasks) and generative tasks (e.g., fine-tuning diffusion models or LLMs). The human-centered design of UniAutoML innovatively features a conversational user interface (CUI) that facilitates natural language interactions, providing users with real-time guidance, feedback, and progress updates for better interpretability. This design enhances transparency and user control throughout the AutoML training process, allowing users to seamlessly break down or modify the model being trained. To mitigate potential risks associated with LLM generated content, UniAutoML incorporates a safety guardline that filters inputs and censors outputs. We evaluated UniAutoML's performance and usability through experiments on eight diverse datasets and user studies involving 25 participants, demonstrating that UniAutoML not only enhances performance but also improves user control and trust. Our human-centered design bridges the gap between AutoML capabilities and user understanding, making ML more accessible to a broader audience.