Many industry verticals are confronted with small-sized tabular data. In this low-data regime, it is currently unclear whether the best performance can be expected from simple baselines, or more complex machine learning approaches that leverage meta-learning and ensembling. On 44 tabular classification datasets with sample sizes $\leq$ 500, we find that L2-regularized logistic regression performs similar to state-of-the-art automated machine learning (AutoML) frameworks (AutoPrognosis, AutoGluon) and off-the-shelf deep neural networks (TabPFN, HyperFast) on the majority of the benchmark datasets. We therefore recommend to consider logistic regression as the first choice for data-scarce applications with tabular data and provide practitioners with best practices for further method selection.
Hyperparameter optimization plays a pivotal role in enhancing the predictive performance and generalization capabilities of ML models. However, in many applications, we do not only care about predictive performance but also about additional objectives such as inference time, memory, or energy consumption. In such multi-objective scenarios, determining the importance of hyperparameters poses a significant challenge due to the complex interplay between the conflicting objectives. In this paper, we propose the first method for assessing the importance of hyperparameters in multi-objective hyperparameter optimization. Our approach leverages surrogate-based hyperparameter importance measures, i.e., fANOVA and ablation paths, to provide insights into the impact of hyperparameters on the optimization objectives. Specifically, we compute the a-priori scalarization of the objectives and determine the importance of the hyperparameters for different objective tradeoffs. Through extensive empirical evaluations on diverse benchmark datasets with three different objective pairs, each combined with accuracy, namely time, demographic parity loss, and energy consumption, we demonstrate the effectiveness and robustness of our proposed method. Our findings not only offer valuable guidance for hyperparameter tuning in multi-objective optimization tasks but also contribute to advancing the understanding of hyperparameter importance in complex optimization scenarios.
Recently, program synthesis driven by large language models (LLMs) has become increasingly popular. However, program synthesis for machine learning (ML) tasks still poses significant challenges. This paper explores a novel form of program synthesis, targeting ML programs, by combining LLMs and automated machine learning (autoML). Specifically, our goal is to fully automate the generation and optimization of the code of the entire ML workflow, from data preparation to modeling and post-processing, utilizing only textual descriptions of the ML tasks. To manage the length and diversity of ML programs, we propose to break each ML program into smaller, manageable parts. Each part is generated separately by the LLM, with careful consideration of their compatibilities. To ensure compatibilities, we design a testing technique for ML programs. Unlike traditional program synthesis, which typically relies on binary evaluations (i.e., correct or incorrect), evaluating ML programs necessitates more than just binary judgments. Our approach automates the numerical evaluation and optimization of these programs, selecting the best candidates through autoML techniques. In experiments across various ML tasks, our method outperforms existing methods in 10 out of 12 tasks for generating ML programs. In addition, autoML significantly improves the performance of the generated ML programs. In experiments, given the textual task description, our method, Text-to-ML, generates the complete and optimized ML program in a fully autonomous process. The implementation of our method is available at https://github.com/JLX0/llm-automl.
Missing value imputation is a crucial preprocessing step for many machine learning problems. However, it is often considered as a separate subtask from downstream applications such as classification, regression, or clustering, and thus is not optimized together with them. We hypothesize that treating the imputation model and downstream task model together and optimizing over full pipelines will yield better results than treating them separately. Our work describes a novel AutoML technique for making downstream predictions with missing data that automatically handles preprocessing, model weighting, and selection during inference time, with minimal compute overhead. Specifically we develop M-DEW, a Dynamic missingness-aware Ensemble Weighting (DEW) approach, that constructs a set of two-stage imputation-prediction pipelines, trains each component separately, and dynamically calculates a set of pipeline weights for each sample during inference time. We thus extend previous work on dynamic ensemble weighting to handle missing data at the level of full imputation-prediction pipelines, improving performance and calibration on downstream machine learning tasks over standard model averaging techniques. M-DEW is shown to outperform the state-of-the-art in that it produces statistically significant reductions in model perplexity in 17 out of 18 experiments, while improving average precision in 13 out of 18 experiments.
Multi-domain recommendation and multi-task recommendation have demonstrated their effectiveness in leveraging common information from different domains and objectives for comprehensive user modeling. Nonetheless, the practical recommendation usually faces multiple domains and tasks simultaneously, which cannot be well-addressed by current methods. To this end, we introduce M3oE, an adaptive Multi-domain Multi-task Mixture-of-Experts recommendation framework. M3oE integrates multi-domain information, maps knowledge across domains and tasks, and optimizes multiple objectives. We leverage three mixture-of-experts modules to learn common, domain-aspect, and task-aspect user preferences respectively to address the complex dependencies among multiple domains and tasks in a disentangled manner. Additionally, we design a two-level fusion mechanism for precise control over feature extraction and fusion across diverse domains and tasks. The framework's adaptability is further enhanced by applying AutoML technique, which allows dynamic structure optimization. To the best of the authors' knowledge, our M3oE is the first effort to solve multi-domain multi-task recommendation self-adaptively. Extensive experiments on two benchmark datasets against diverse baselines demonstrate M3oE's superior performance. The implementation code is available to ensure reproducibility.
AutoGluon-Multimodal (AutoMM) is introduced as an open-source AutoML library designed specifically for multimodal learning. Distinguished by its exceptional ease of use, AutoMM enables fine-tuning of foundation models with just three lines of code. Supporting various modalities including image, text, and tabular data, both independently and in combination, the library offers a comprehensive suite of functionalities spanning classification, regression, object detection, semantic matching, and image segmentation. Experiments across diverse datasets and tasks showcases AutoMM's superior performance in basic classification and regression tasks compared to existing AutoML tools, while also demonstrating competitive results in advanced tasks, aligning with specialized toolboxes designed for such purposes.
Automated Machine Learning (AutoML) has become increasingly popular in recent years due to its ability to reduce the amount of time and expertise required to design and develop machine learning systems. This is very important for the practice of machine learning, as it allows building strong baselines quickly, improving the efficiency of the data scientists, and reducing the time to production. However, despite the advantages of AutoML, it faces several challenges, such as defining the solutions space and exploring it efficiently. Recently, some approaches have been shown to be able to do it using tree-based search algorithms and context-free grammars. In particular, GramML presents a model-free reinforcement learning approach that leverages pipeline configuration grammars and operates using Monte Carlo tree search. However, one of the limitations of GramML is that it uses default hyperparameters, limiting the search problem to finding optimal pipeline structures for the available data preprocessors and models. In this work, we propose an extension to GramML that supports larger search spaces including hyperparameter search. We evaluated the approach using an OpenML benchmark and found significant improvements compared to other state-of-the-art techniques.
Modern database systems rely on cost-based query optimizers to come up with good execution plans for input queries. Such query optimizers rely on cost models to estimate the costs of candidate query execution plans. A cost model represents a function from a set of cost units to query execution cost, where each cost unit specifies the unit cost of executing a certain type of query processing operation (such as table scan or join). These cost units are traditionally viewed as constants, whose values only depend on the platform configuration where the database system runs on top of but are invariant for queries processed by the database system. In this paper, we challenge this classic view by thinking of these cost units as variables instead. We show that, by varying the cost-unit values one can obtain query plans that significantly outperform the default query plans returned by the query optimizer when viewing the cost units as constants. We term this cost-unit tuning process "query tuning" (QT) and show that it is similar to the well-known hyper-parameter optimization (HPO) problem in AutoML. As a result, any state-of-the-art HPO technologies can be applied to QT. We study the QT problem in the context of anytime tuning, which is desirable in practice by constraining the total time spent on QT within a given budget -- we call this problem budget-aware query tuning. We further extend our study from tuning a single query to tuning a workload with multiple queries, and we call this generalized problem budget-aware workload tuning (WT), which aims for minimizing the execution time of the entire workload. WT is more challenging as one needs to further prioritize individual query tuning within the given time budget. We propose solutions to both QT and WT and experimental evaluation using both benchmark and real workloads demonstrates the efficacy of our proposed solutions.
Deep Learning (DL) has advanced various fields by extracting complex patterns from large datasets. However, the computational demands of DL models pose environmental and resource challenges. Deep shift neural networks (DSNNs) offer a solution by leveraging shift operations to reduce computational complexity at inference. Following the insights from standard DNNs, we are interested in leveraging the full potential of DSNNs by means of AutoML techniques. We study the impact of hyperparameter optimization (HPO) to maximize DSNN performance while minimizing resource consumption. Since this combines multi-objective (MO) optimization with accuracy and energy consumption as potentially complementary objectives, we propose to combine state-of-the-art multi-fidelity (MF) HPO with multi-objective optimization. Experimental results demonstrate the effectiveness of our approach, resulting in models with over 80\% in accuracy and low computational cost. Overall, our method accelerates efficient model development while enabling sustainable AI applications.
Pre training of language models on large text corpora is common practice in Natural Language Processing. Following, fine tuning of these models is performed to achieve the best results on a variety of tasks. In this paper we question the common practice of only adding a single output layer as a classification head on top of the network. We perform an AutoML search to find architectures that outperform the current single layer at only a small compute cost. We validate our classification architecture on a variety of NLP benchmarks from the GLUE dataset.
Machine-learning techniques, especially deep convolutional neural networks, are pivotal for image-based identification of biological species in many Citizen Science platforms. In this paper, we describe the construction of a dataset for the Portuguese native flora based on publicly available research-grade datasets, and the derivation of a high-accuracy model from it using off-the-shelf deep convolutional neural networks. We anchored the dataset in high-quality data provided by Sociedade Portuguesa de Bot\^anica and added further sampled data from research-grade datasets available from GBIF. We find that with a careful dataset design, off-the-shelf machine-learning cloud services such as Google's AutoML Vision produce accurate models, with results comparable to those of Pl@ntNet, a state-of-the-art citizen science platform. The best model we derived, dubbed Floralens, has been integrated into the public website of Project Biolens, where we gather models for other taxa as well. The dataset used to train the model is also publicly available on Zenodo.
In recent years, Contrastive Learning (CL) has become a predominant representation learning paradigm for time series. Most existing methods manually build specific CL Strategies (CLS) by human heuristics for certain datasets and tasks. However, manually developing CLS usually requires excessive prior knowledge about the data, and massive experiments to determine the detailed CL configurations. In this paper, we present an Automated Machine Learning (AutoML) practice at Microsoft, which automatically learns CLS for time series datasets and tasks, namely Automated Contrastive Learning (AutoCL). We first construct a principled search space of size over $3\times10^{12}$, covering data augmentation, embedding transformation, contrastive pair construction, and contrastive losses. Further, we introduce an efficient reinforcement learning algorithm, which optimizes CLS from the performance on the validation tasks, to obtain effective CLS within the space. Experimental results on various real-world datasets demonstrate that AutoCL could automatically find the suitable CLS for the given dataset and task. From the candidate CLS found by AutoCL on several public datasets/tasks, we compose a transferable Generally Good Strategy (GGS), which has a strong performance for other datasets. We also provide empirical analysis as a guide for the future design of CLS.
In many applications, model ensembling proves to be better than a single predictive model. Hence, it is the most common post-processing technique in Automated Machine Learning (AutoML). The most popular frameworks use ensembles at the expense of reducing the interpretability of the final models. In our work, we propose cattleia - an application that deciphers the ensembles for regression, multiclass, and binary classification tasks. This tool works with models built by three AutoML packages: auto-sklearn, AutoGluon, and FLAML. The given ensemble is analyzed from different perspectives. We conduct a predictive performance investigation through evaluation metrics of the ensemble and its component models. We extend the validation perspective by introducing new measures to assess the diversity and complementarity of the model predictions. Moreover, we apply explainable artificial intelligence (XAI) techniques to examine the importance of variables. Summarizing obtained insights, we can investigate and adjust the weights with a modification tool to tune the ensemble in the desired way. The application provides the aforementioned aspects through dedicated interactive visualizations, making it accessible to a diverse audience. We believe the cattleia can support users in decision-making and deepen the comprehension of AutoML frameworks.
In the realm of machine learning, traditional model development and automated approaches like AutoML typically rely on layers of abstraction, such as tree-based or Cartesian genetic programming. Our study introduces "Guided Evolution" (GE), a novel framework that diverges from these methods by utilizing Large Language Models (LLMs) to directly modify code. GE leverages LLMs for a more intelligent, supervised evolutionary process, guiding mutations and crossovers. Our unique "Evolution of Thought" (EoT) technique further enhances GE by enabling LLMs to reflect on and learn from the outcomes of previous mutations. This results in a self-sustaining feedback loop that augments decision-making in model evolution. GE maintains genetic diversity, crucial for evolutionary algorithms, by leveraging LLMs' capability to generate diverse responses from expertly crafted prompts and modulate model temperature. This not only accelerates the evolution process but also injects expert like creativity and insight into the process. Our application of GE in evolving the ExquisiteNetV2 model demonstrates its efficacy: the LLM-driven GE autonomously produced variants with improved accuracy, increasing from 92.52% to 93.34%, without compromising model compactness. This underscores the potential of LLMs to accelerate the traditional model design pipeline, enabling models to autonomously evolve and enhance their own designs.
Modern approach to artificial intelligence (AI) aims to design algorithms that learn directly from data. This approach has achieved impressive results and has contributed significantly to the progress of AI, particularly in the sphere of supervised deep learning. It has also simplified the design of machine learning systems as the learning process is highly automated. However, not all data processing tasks in conventional deep learning pipelines have been automated. In most cases data has to be manually collected, preprocessed and further extended through data augmentation before they can be effective for training. Recently, special techniques for automating these tasks have emerged. The automation of data processing tasks is driven by the need to utilize large volumes of complex, heterogeneous data for machine learning and big data applications. Today, end-to-end automated data processing systems based on automated machine learning (AutoML) techniques are capable of taking raw data and transforming them into useful features for Big Data tasks by automating all intermediate processing stages. In this work, we present a thorough review of approaches for automating data processing tasks in deep learning pipelines, including automated data preprocessing--e.g., data cleaning, labeling, missing data imputation, and categorical data encoding--as well as data augmentation (including synthetic data generation using generative AI methods) and feature engineering--specifically, automated feature extraction, feature construction and feature selection. In addition to automating specific data processing tasks, we discuss the use of AutoML methods and tools to simultaneously optimize all stages of the machine learning pipeline.
Data augmentation is arguably the most important regularization technique commonly used to improve generalization performance of machine learning models. It primarily involves the application of appropriate data transformation operations to create new data samples with desired properties. Despite its effectiveness, the process is often challenging because of the time-consuming trial and error procedures for creating and testing different candidate augmentations and their hyperparameters manually. State-of-the-art approaches are increasingly relying on automated machine learning (AutoML) principles. This work presents a comprehensive survey of AutoML-based data augmentation techniques. We discuss various approaches for accomplishing data augmentation with AutoML, including data manipulation, data integration and data synthesis techniques. The focus of this work is on image data augmentation methods. Nonetheless, we cover other data modalities, especially in cases where the specific data augmentations techniques being discussed are more suitable for these other modalities. For instance, since automated data integration methods are more suitable for tabular data, we cover tabular data in the discussion of data integration methods. The work also presents extensive discussion of techniques for accomplishing each of the major subtasks of the image data augmentation process: search space design, hyperparameter optimization and model evaluation. Finally, we carried out an extensive comparison and analysis of the performance of automated data augmentation techniques and state-of-the-art methods based on classical augmentation approaches. The results show that AutoML methods for data augmentation currently outperform state-of-the-art techniques based on conventional approaches.
Neural architecture search (NAS) has become a key component of AutoML and a standard tool to automate the design of deep neural networks. Recently, training-free NAS as an emerging paradigm has successfully reduced the search costs of standard training-based NAS by estimating the true architecture performance with only training-free metrics. Nevertheless, the estimation ability of these metrics typically varies across different tasks, making it challenging to achieve robust and consistently good search performance on diverse tasks with only a single training-free metric. Meanwhile, the estimation gap between training-free metrics and the true architecture performances limits training-free NAS to achieve superior performance. To address these challenges, we propose the robustifying and boosting training-free NAS (RoBoT) algorithm which (a) employs the optimized combination of existing training-free metrics explored from Bayesian optimization to develop a robust and consistently better-performing metric on diverse tasks, and (b) applies greedy search, i.e., the exploitation, on the newly developed metric to bridge the aforementioned gap and consequently to boost the search performance of standard training-free NAS further. Remarkably, the expected performance of our RoBoT can be theoretically guaranteed, which improves over the existing training-free NAS under mild conditions with additional interesting insights. Our extensive experiments on various NAS benchmark tasks yield substantial empirical evidence to support our theoretical results.
Automatic workflow composition (AWC) is a relevant problem in automated machine learning (AutoML) that allows finding suitable sequences of preprocessing and prediction models together with their optimal hyperparameters. This problem can be solved using evolutionary algorithms and, in particular, grammar-guided genetic programming (G3P). Current G3P approaches to AWC define a fixed grammar that formally specifies how workflow elements can be combined and which algorithms can be included. In this paper we present \ourmethod, an interactive G3P algorithm that allows users to dynamically modify the grammar to prune the search space and focus on their regions of interest. Our proposal is the first to combine the advantages of a G3P method with ideas from interactive optimisation and human-guided machine learning, an area little explored in the context of AutoML. To evaluate our approach, we present an experimental study in which 20 participants interact with \ourmethod to evolve workflows according to their preferences. Our results confirm that the collaboration between \ourmethod and humans allows us to find high-performance workflows in terms of accuracy that require less tuning time than those found without human intervention.
Automated machine learning (AutoML) aims to select and configure machine learning algorithms and combine them into machine learning pipelines tailored to a dataset at hand. For supervised learning tasks, most notably binary and multinomial classification, aka single-label classification (SLC), such AutoML approaches have shown promising results. However, the task of multi-label classification (MLC), where data points are associated with a set of class labels instead of a single class label, has received much less attention so far. In the context of multi-label classification, the data-specific selection and configuration of multi-label classifiers are challenging even for experts in the field, as it is a high-dimensional optimization problem with multi-level hierarchical dependencies. While for SLC, the space of machine learning pipelines is already huge, the size of the MLC search space outnumbers the one of SLC by several orders. In the first part of this thesis, we devise a novel AutoML approach for single-label classification tasks optimizing pipelines of machine learning algorithms, consisting of two algorithms at most. This approach is then extended first to optimize pipelines of unlimited length and eventually configure the complex hierarchical structures of multi-label classification methods. Furthermore, we investigate how well AutoML approaches that form the state of the art for single-label classification tasks scale with the increased problem complexity of AutoML for multi-label classification. In the second part, we explore how methods for SLC and MLC could be configured more flexibly to achieve better generalization performance and how to increase the efficiency of execution-based AutoML systems.
Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.